JOB 0
COORDS  -1.0815800000e+00 -2.6825600000e+00  1.7643700000e+00 -1.0181700000e+00 -1.7863900000e+00  2.0946400000e+00 -3.0456000000e-01 -3.1214500000e+00  2.1105600000e+00  2.1350800000e+00  1.3682300000e+00 -1.0645300000e+00  1.9928900000e+00  1.9050600000e+00 -1.8441600000e+00  1.3364900000e+00  1.4783100000e+00 -5.4843000000e-01  8.3443000000e-01 -1.7849800000e+00 -2.3530000000e-02  1.0005300000e+00 -2.3349500000e+00 -7.8915000000e-01  9.1450000000e-02 -2.2006900000e+00  4.1394000000e-01  7.8944000000e-01  2.0097700000e+00 -3.5479300000e+00  1.0371100000e+00  2.6994000000e+00 -4.1637900000e+00 -8.8590000000e-02  2.2536200000e+00 -3.2549600000e+00  3.0144500000e+00  3.0663000000e-01  1.4524600000e+00  3.1424300000e+00  9.6274000000e-01  7.6735000000e-01  2.7944000000e+00 -4.9539000000e-01  9.7858000000e-01 -1.6080100000e+00 -4.9826000000e-01 -2.5008400000e+00 -1.9264800000e+00 -1.3681600000e+00 -2.7418600000e+00 -6.5459000000e-01 -5.8321000000e-01 -2.5009700000e+00  9.4166000000e-01 -8.3608000000e-01 -2.8968300000e+00  9.8368000000e-01 -7.4900000000e-03 -3.3742200000e+00  1.4649500000e+00 -6.8623000000e-01 -2.1094800000e+00 -5.5065000000e-01  1.0803300000e+00  1.3422000000e-01 -6.8093000000e-01  2.0720000000e-01 -2.3579000000e-01 -6.9853000000e-01  9.6758000000e-01  1.0731800000e+00 -7.7396000000e-01 -1.8321000000e-01  2.6321700000e+00 -1.4970600000e+00  2.0429000000e-01  3.1253300000e+00 -3.3000000000e-03 -3.5570000000e-02  3.1803600000e+00  1.4336100000e+00  1.0598800000e+00  3.7552500000e+00  1.9454600000e+00  1.2629300000e+00  4.5382000000e+00  2.0881700000e+00  8.6814000000e-01  3.0836700000e+00 -3.6261600000e+00 -2.1116900000e+00  2.5594400000e+00 -2.8565200000e+00 -2.5890600000e+00  2.2495700000e+00 -4.3483500000e+00 -2.4521000000e+00  2.0314400000e+00 -1.5662800000e+00  2.3452400000e+00 -2.2671100000e+00 -1.8154800000e+00  1.4603100000e+00 -2.5336100000e+00 -1.0511800000e+00  2.2197600000e+00 -1.4701400000e+00
ENERGY -9.171929327491e+02
EMD0 -3.534231180000e+02
FORCES  -8.1649000000e-03  1.6239400000e-02  1.0559200000e-02  1.7119000000e-03 -2.2386600000e-02 -7.9248000000e-03  2.7920000000e-03  8.6128000000e-03 -5.7613000000e-03 -7.0932000000e-03  1.9724000000e-03 -3.4509000000e-03 -4.7700000000e-04 -4.7570000000e-04  9.7999000000e-03  1.2276100000e-02  4.8682000000e-03 -8.4385000000e-03 -1.0387900000e-02 -1.7408000000e-03  7.6158000000e-03 -2.4318000000e-03  6.7450000000e-04  3.9585000000e-03  1.2420700000e-02  6.5380000000e-04 -6.6252000000e-03 -1.9226900000e-02  4.5500000000e-04  7.2529000000e-03 -4.9296000000e-03  2.1022000000e-03  3.9682000000e-03  2.1547200000e-02 -3.2176000000e-03 -1.0252100000e-02 -2.0251000000e-03 -1.1680000000e-04 -9.0570000000e-03  1.0337000000e-03 -4.8822000000e-03  6.3740000000e-03  6.1294000000e-03  3.7998000000e-03  4.4740000000e-04  1.9065000000e-02 -3.0992000000e-03 -5.2200000000e-03  5.5367000000e-03 -1.8183000000e-03  7.1250000000e-04 -1.7088300000e-02  5.4660000000e-03  3.3475000000e-03 -1.7564000000e-03  5.6120000000e-03 -2.8986000000e-03 -4.8939000000e-03 -1.0987800000e-02  8.3750000000e-03 -5.0305000000e-03 -5.6298000000e-03 -5.7850000000e-03 -4.4247000000e-03 -7.3957000000e-03  1.1489800000e-02 -2.2850000000e-04  5.2365000000e-03  3.5156000000e-03 -2.6344000000e-03  1.3929000000e-03 -8.6435000000e-03  1.0452600000e-02 -5.9690000000e-04  7.5650000000e-04  7.3426000000e-03  2.2979000000e-03  1.1180000000e-04 -1.6648700000e-02 -8.1321000000e-03 -4.5182000000e-03  1.5983000000e-03  1.4939000000e-03 -7.9511000000e-03  4.6773000000e-03 -2.8370000000e-04 -4.9131000000e-03 -6.5452000000e-03  4.0923000000e-03  1.9142100000e-02  7.3880000000e-03 -8.7600000000e-04  2.5620000000e-04 -9.8563000000e-03  4.3157000000e-03 -8.4300000000e-05  4.8887000000e-03 -2.9494000000e-03 -1.2970000000e-03 -1.1110500000e-02 -7.2977000000e-03  1.2228200000e-02  1.0987900000e-02  1.1796800000e-02 -1.3616000000e-03  5.1056000000e-03  8.0410000000e-04 -1.5728800000e-02

JOB 1
COORDS  -2.0286000000e-01 -2.4492200000e+00 -5.7865000000e-01  6.3713000000e-01 -2.8645700000e+00 -7.7389000000e-01 -1.1570000000e-02 -1.8474400000e+00  1.4072000000e-01  1.7613900000e+00  1.1226300000e+00  2.8900000000e-01  1.9702700000e+00  1.7731000000e+00 -3.8145000000e-01  8.0584000000e-01  1.0672200000e+00  2.8016000000e-01 -1.1852500000e+00 -3.0644800000e+00 -2.9065500000e+00 -1.7764400000e+00 -2.3302600000e+00 -3.0728200000e+00 -1.0616100000e+00 -3.0628300000e+00 -1.9573700000e+00  1.8016400000e+00  3.3309400000e+00 -1.2649900000e+00  1.2862300000e+00  4.1309000000e+00 -1.3681500000e+00  1.7009300000e+00  2.8713900000e+00 -2.0986000000e+00  1.8809000000e+00  2.5950900000e+00  2.4800400000e+00  2.1959000000e+00  2.2333300000e+00  1.6517100000e+00  2.4713200000e+00  2.2322600000e+00  3.1403500000e+00 -2.7590200000e+00 -1.2626300000e+00 -1.2034300000e+00 -1.9007100000e+00 -1.5318000000e+00 -8.7622000000e-01 -3.2831300000e+00 -2.0634700000e+00 -1.1894500000e+00  1.1857300000e+00 -1.6124500000e+00 -3.5463400000e+00  1.3876100000e+00 -2.0598800000e+00 -4.3681000000e+00  3.8983000000e-01 -2.0396700000e+00 -3.2297200000e+00 -8.9331000000e-01  6.7827000000e-01 -1.0588000000e-01 -1.7521100000e+00  5.3921000000e-01 -5.0508000000e-01 -1.0019700000e+00  3.9504000000e-01  8.0198000000e-01 -7.3060000000e-02 -7.0078000000e-01  2.2640700000e+00 -6.6069000000e-01 -1.1562200000e+00  2.8669800000e+00 -1.0401000000e-01  2.1406000000e-01  2.5439700000e+00 -7.0393000000e-01  1.9620200000e+00  2.7580300000e+00 -1.1429900000e+00  2.5554700000e+00  3.3673600000e+00  1.9413000000e-01  2.2896500000e+00  2.7090600000e+00 -1.5809100000e+00 -1.6491800000e+00  4.4527400000e+00 -1.1195100000e+00 -9.6907000000e-01  4.9434400000e+00 -2.4890400000e+00 -1.5839900000e+00  4.7481600000e+00  8.8621000000e-01  1.0484800000e+00 -2.7919800000e+00  4.0365000000e-01  1.1113900000e+00 -1.9677200000e+00  1.0089300000e+00  1.0885000000e-01 -2.9271100000e+00
ENERGY -9.171548106459e+02
EMD0 -3.055412360000e+02
FORCES  -5.7237000000e-03  1.9658000000e-03 -8.2832000000e-03 -3.2008000000e-03  1.3458000000e-03  3.2890000000e-03  5.0960000000e-04 -9.3632000000e-03 -1.0531600000e-02 -1.2771900000e-02  3.7100000000e-03 -6.8687000000e-03 -1.4821000000e-03 -5.2824000000e-03  3.4737000000e-03  3.6118000000e-03  2.1742000000e-03  2.7373000000e-03 -1.6630000000e-04  1.3850000000e-04  1.2654700000e-02  4.9335000000e-03 -2.2747000000e-03  3.1275000000e-03 -1.0340000000e-03  2.8330000000e-03 -4.5684000000e-03  1.0849000000e-03 -6.9259000000e-03  6.4379000000e-03 -1.3470000000e-04 -2.6138000000e-03 -7.2558000000e-03 -2.5918000000e-03  9.7140000000e-03  1.0666200000e-02 -3.9937000000e-03 -9.3588000000e-03 -2.1170200000e-02  6.8494000000e-03  1.1427200000e-02  1.8102200000e-02  1.1010000000e-04 -1.5463000000e-03 -4.1208000000e-03  2.3281000000e-03  5.1070000000e-04  1.7587000000e-03 -8.3762000000e-03 -5.1420000000e-04 -1.8160000000e-03  6.9781000000e-03 -1.1136000000e-03 -1.1288000000e-03 -5.5653000000e-03 -7.9730000000e-04 -5.1300000000e-04 -3.3742000000e-03 -3.6337000000e-03  1.9524000000e-03  1.1007400000e-02  9.2870000000e-03 -3.0154000000e-03  6.5315000000e-03  2.5120000000e-03  5.7396000000e-03  4.4464000000e-03 -4.0496000000e-03  7.5204000000e-03 -1.7580000000e-03  2.9760000000e-03 -9.5168000000e-03 -3.3370000000e-04  5.7945000000e-03  1.0655000000e-02  6.0680000000e-03  9.1508000000e-03 -2.5151000000e-03 -1.3040000000e-03 -9.6730000000e-03 -4.7859000000e-03  1.3896700000e-02  3.9897000000e-03 -8.3044000000e-03  6.4904000000e-03  2.4664000000e-03  8.5530000000e-04 -2.2517900000e-02 -7.2871000000e-03  8.0310000000e-03  3.6320000000e-04 -5.0647000000e-03 -2.1537000000e-03 -5.4567000000e-03 -2.0740000000e-04 -3.6162000000e-03  4.3297000000e-03  4.0485000000e-03  3.2906000000e-03  4.5315000000e-03 -1.4393300000e-02 -6.7332000000e-03  4.8193000000e-03  3.5840000000e-04 -4.6462000000e-03 -9.1049000000e-03  9.6966000000e-03  1.1251700000e-02

JOB 2
COORDS   2.3384500000e+00 -2.8054500000e+00 -3.1705000000e+00  1.8644100000e+00 -1.9741500000e+00 -3.1488000000e+00  1.7437100000e+00 -3.4093100000e+00 -3.6153300000e+00  2.2240500000e+00  1.0346000000e+00  1.2629500000e+00  2.6644100000e+00  1.3290300000e+00  4.6569000000e-01  1.3799000000e+00  6.9927000000e-01  9.6098000000e-01 -2.7997000000e+00 -6.8659000000e-01 -1.4059900000e+00 -1.8723600000e+00 -5.6847000000e-01 -1.6117000000e+00 -2.8069600000e+00 -1.3111800000e+00 -6.8068000000e-01  3.5694600000e+00  1.8560500000e+00 -1.2035600000e+00  4.5111600000e+00  1.6847900000e+00 -1.2141100000e+00  3.2427500000e+00  1.4503800000e+00 -2.0066300000e+00  3.0616000000e-01  3.1443300000e+00  1.3441500000e+00  1.0942400000e+00  2.6014300000e+00  1.3236600000e+00  4.5415000000e-01  3.8077400000e+00  6.7019000000e-01 -8.1504000000e-01 -3.1247800000e+00  1.4633400000e+00 -4.9529000000e-01 -4.0114700000e+00  1.6299700000e+00 -4.5492000000e-01 -2.6013100000e+00  2.1792500000e+00 -1.1857700000e+00  4.5232000000e-01 -3.4802000000e+00 -2.1193400000e+00  2.4130000000e-01 -3.4925600000e+00 -1.0839900000e+00  1.0470800000e+00 -2.7371400000e+00 -9.1640000000e-02 -2.0319000000e-01  2.6944000000e-01  8.6790000000e-02 -1.0378300000e+00  7.0276000000e-01 -9.1908000000e-01  9.2330000000e-02  6.4923000000e-01 -2.3977400000e+00 -4.9977000000e-01  2.5067200000e+00 -2.3805700000e+00  4.4820000000e-01  2.3752400000e+00 -3.3139300000e+00 -6.9873000000e-01  2.6997200000e+00 -2.1628300000e+00  2.0203700000e+00  1.0994300000e+00 -2.3857000000e+00  2.2996400000e+00  2.1141000000e-01 -1.3176600000e+00  2.4336000000e+00  1.2759500000e+00 -1.0946000000e-01 -1.3184300000e+00  3.6148700000e+00  4.6339000000e-01 -5.5786000000e-01  3.7128500000e+00 -9.6225000000e-01 -9.4869000000e-01  3.3862300000e+00  1.2065700000e+00  5.2520000000e-02 -2.2717300000e+00  8.9700000000e-01  3.7880000000e-02 -1.3660900000e+00  4.1420000000e-01  1.7649000000e-01 -2.7942300000e+00
ENERGY -9.171506107299e+02
EMD0 -2.890687640000e+02
FORCES   2.9404000000e-03  2.9781000000e-03  2.9952000000e-03 -1.7063000000e-03 -1.1015100000e-02 -6.7513000000e-03 -1.5967000000e-03  4.8668000000e-03  9.5050000000e-04  5.2267000000e-03 -1.2475900000e-02 -6.0137000000e-03 -1.3894200000e-02 -5.0170000000e-04  1.0072500000e-02  7.3571000000e-03  1.1802600000e-02  1.9370000000e-03 -1.2793000000e-03 -3.7550000000e-03 -1.3770000000e-04 -5.0183000000e-03  4.7461000000e-03 -8.4520000000e-04  3.4822000000e-03  2.9053000000e-03 -3.4825000000e-03 -2.2912000000e-03 -2.6430000000e-04 -1.1169000000e-03 -3.2289000000e-03 -1.5739000000e-03 -4.4311000000e-03  1.0990900000e-02  4.5903000000e-03  2.1834000000e-03  8.0970000000e-03 -8.9946000000e-03  7.3051000000e-03 -1.2812700000e-02  1.2972900000e-02 -9.3614000000e-03  2.1182000000e-03 -5.2998000000e-03 -6.9200000000e-04 -8.2350000000e-04  1.0618000000e-03  5.5013000000e-03  2.7590000000e-04  2.9220000000e-03  4.3378000000e-03 -1.8660000000e-03 -7.4425000000e-03 -1.2279700000e-02  2.5127000000e-03 -5.2778000000e-03 -4.6301000000e-03  5.0230000000e-03  5.7412000000e-03  5.7446000000e-03  4.7567000000e-03 -1.1481000000e-02  9.7120000000e-04 -2.6434000000e-03 -2.4777000000e-03 -3.3360000000e-04 -5.0110000000e-04  1.1982400000e-02  2.1801000000e-03  9.1962000000e-03 -6.6153000000e-03 -8.6350000000e-04  2.8142000000e-03 -2.6001000000e-03 -1.7896000000e-03  1.0364000000e-03 -1.2363000000e-02  8.9312000000e-03  3.5930000000e-04  7.0125000000e-03 -6.3500000000e-04  6.1811000000e-03  1.0510000000e-02  2.7330000000e-03  7.6358000000e-03  3.8500000000e-03  2.7190000000e-04 -1.6558400000e-02 -9.5429000000e-03 -7.5292000000e-03 -1.0280600000e-02  6.0360000000e-04  2.5277000000e-03 -8.4002000000e-03  2.4696000000e-03 -1.5065000000e-03  1.6628200000e-02  9.0090000000e-04  5.5280000000e-04 -9.0526000000e-03 -4.0143000000e-03  2.0036000000e-03 -5.0960000000e-04  5.1070000000e-03 -9.4683000000e-03 -4.1691000000e-03  8.6717000000e-03  1.0668400000e-02

JOB 3
COORDS   2.3973300000e+00  1.1820000000e+00 -5.3821800000e+00  2.0433500000e+00  3.7240000000e-01 -5.0141100000e+00  1.9206700000e+00  1.3006600000e+00 -6.2037200000e+00  1.6525400000e+00  5.7612000000e-01  1.1830800000e+00  2.2215400000e+00  3.0870000000e-02  6.3978000000e-01  9.6260000000e-01 -1.7620000000e-02  1.4791900000e+00 -7.9150000000e-01 -1.1983500000e+00  1.2938600000e+00 -7.2913000000e-01 -1.5151100000e+00  2.1949700000e+00 -1.5822600000e+00 -6.5907000000e-01  1.2832400000e+00  2.6890800000e+00 -1.0126900000e+00 -8.7866000000e-01  3.3496800000e+00 -5.6469000000e-01 -1.4069900000e+00  2.0098200000e+00 -1.2625900000e+00 -1.5050800000e+00  1.3582000000e-01  3.0738300000e+00  2.0782600000e+00  7.5431000000e-01  2.3432900000e+00  2.0748800000e+00  6.3598000000e-01  3.8100900000e+00  2.4303900000e+00 -6.6332000000e-01 -1.3426200000e+00  4.1272900000e+00 -3.9270000000e-02 -1.0121400000e+00  4.7735000000e+00 -1.2944100000e+00 -6.3135000000e-01  4.0175000000e+00 -8.6503000000e-01 -6.8171000000e-01 -1.3590600000e+00 -4.7573000000e-01 -8.1699000000e-01 -4.9513000000e-01 -1.8088500000e+00 -7.3097000000e-01 -1.2073800000e+00  8.3584000000e-01 -3.2934500000e+00 -1.6736700000e+00  2.4000000000e-01 -2.7737700000e+00 -1.1341000000e+00  1.5660200000e+00 -3.5029700000e+00 -1.0913000000e+00 -3.1130700000e+00  3.6775000000e-01  7.8953000000e-01 -2.5448200000e+00  1.0120900000e+00  3.6745000000e-01 -4.0012100000e+00  6.6782000000e-01  5.9612000000e-01 -1.4505900000e+00  2.3394500000e+00 -1.6287000000e-01 -9.4131000000e-01  2.0560900000e+00 -9.2219000000e-01 -8.0027000000e-01  2.4692600000e+00  5.2740000000e-01 -2.0351900000e+00  1.0688600000e+00  3.4766900000e+00 -1.5304500000e+00  1.8801200000e+00  3.4190100000e+00 -2.4260600000e+00  9.6718000000e-01  2.6088700000e+00  1.2580500000e+00 -1.1328900000e+00 -3.5584800000e+00  1.1487500000e+00 -1.9812600000e+00 -3.1288800000e+00  5.4166000000e-01 -5.9726000000e-01 -3.2177100000e+00
ENERGY -9.171794658603e+02
EMD0 -3.342709160000e+02
FORCES   3.1798000000e-03 -1.3698000000e-03  2.5907000000e-03 -1.7802000000e-03  8.4293000000e-03 -8.3558000000e-03 -1.3989000000e-03 -3.5098000000e-03  3.1295000000e-03  7.4939000000e-03 -1.0382400000e-02 -1.2305000000e-02 -5.8847000000e-03  2.2665000000e-03  1.1458500000e-02  7.9955000000e-03  4.8427000000e-03 -8.5830000000e-04 -5.2867000000e-03 -4.5781000000e-03  5.2916000000e-03 -8.6303000000e-03  8.3820000000e-03 -1.2386800000e-02  1.0674500000e-02  5.4480000000e-04  1.5959000000e-03 -4.8359000000e-03  3.1140000000e-04 -6.5099000000e-03 -2.2712000000e-03 -1.1958000000e-03  1.4379000000e-03  2.6966000000e-03 -1.4552000000e-03  5.3593000000e-03  1.6556000000e-03  4.1022000000e-03 -5.5690000000e-03 -8.9634000000e-03  1.1639300000e-02  5.0556000000e-03  3.9096000000e-03 -5.8902000000e-03  2.0828000000e-03 -2.9507000000e-03  5.5250000000e-03  1.9682000000e-03 -3.8741000000e-03  3.5318000000e-03  4.6900000000e-04  8.9831000000e-03 -1.2928200000e-02 -8.3450000000e-04 -2.5976000000e-03 -1.8239000000e-03  1.0679000000e-02 -4.1397000000e-03 -1.2329000000e-03 -9.8723000000e-03  3.6043000000e-03  1.8084000000e-03  2.1185000000e-03 -3.6772000000e-03 -6.0753000000e-03 -6.5670000000e-04  1.0610600000e-02 -3.4080000000e-04  1.7260000000e-04 -5.2668000000e-03  4.7619000000e-03  9.1180000000e-04  3.1192000000e-03  5.0498000000e-03 -5.5863000000e-03 -1.3648200000e-02 -1.9246200000e-02  1.0967500000e-02  4.6765000000e-03  5.1990000000e-03 -3.9789000000e-03  4.3075000000e-03  1.0400500000e-02  4.6879000000e-03  6.1450000000e-04  2.6178000000e-03  5.6647000000e-03 -4.0826000000e-03 -1.1910200000e-02 -1.0974100000e-02 -3.1685000000e-03  1.8076000000e-03 -1.9891000000e-03 -5.7239000000e-03 -4.5692000000e-03 -2.4531000000e-03  1.0368000000e-02  4.1611000000e-03  6.8029000000e-03 -4.0088000000e-03 -1.0928500000e-02  9.8290000000e-04  2.1489000000e-03  1.4544400000e-02  1.2751000000e-03  6.1514000000e-03 -2.4891000000e-03 -2.3720000000e-03

JOB 4
COORDS   1.9402100000e+00  1.5358600000e+00 -2.8000600000e+00  1.5518100000e+00  1.1715900000e+00 -3.5954700000e+00  1.8579400000e+00  2.4837100000e+00 -2.9051700000e+00  1.3863400000e+00 -2.6752000000e-01  2.7070000000e-01  2.0319100000e+00 -6.2486000000e-01 -3.3903000000e-01  6.8953000000e-01 -9.2337000000e-01  2.9406000000e-01 -2.5294800000e+00 -1.8903400000e+00  2.4639600000e+00 -2.8367800000e+00 -2.4149400000e+00  3.2032700000e+00 -2.0516700000e+00 -1.1651300000e+00  2.8664400000e+00  3.9703500000e+00 -1.2384400000e+00 -1.5971000000e+00  3.6385400000e+00 -3.4666000000e-01 -1.7013200000e+00  4.7563100000e+00 -1.1407700000e+00 -1.0595500000e+00  1.0914500000e+00  2.2594600000e+00  9.3323000000e-01  1.3448300000e+00  1.3430600000e+00  8.2253000000e-01  1.8986900000e+00  2.7015700000e+00  1.1961400000e+00 -1.3631100000e+00 -2.1263000000e-01  4.7940800000e+00 -5.6259000000e-01  1.0478000000e-01  5.2120000000e+00 -1.4969900000e+00  3.7765000000e-01  4.0525500000e+00 -4.3538000000e-01 -2.3248700000e+00  4.8233000000e-01 -6.0131000000e-01 -2.3597400000e+00  1.4244000000e+00 -1.3063200000e+00 -2.3000700000e+00  8.6010000000e-02  1.4962000000e+00 -1.9779400000e+00 -2.5329600000e+00  2.4176400000e+00 -1.8495200000e+00 -2.3078500000e+00  1.1241000000e+00 -2.4271800000e+00 -1.7740300000e+00 -3.4809100000e+00  1.3874600000e+00  7.3691000000e-01 -2.8769500000e+00  1.4796900000e+00  6.0000000000e-05 -4.0758100000e+00  6.8548000000e-01  4.7319000000e-01 -1.1022500000e+00  1.5293800000e+00 -8.9268000000e-01 -6.3057000000e-01  2.0061100000e+00 -2.0969000000e-01 -4.1440000000e-01  1.1313300000e+00 -1.4262100000e+00 -1.6017000000e+00  1.3302700000e+00  2.6566500000e+00 -9.5214000000e-01  1.8803900000e+00  2.2188400000e+00 -2.3897900000e+00  1.4163500000e+00  2.1202400000e+00  5.1768000000e-01 -1.2971000000e-01 -4.5193200000e+00  9.9415000000e-01 -7.1249000000e-01 -3.9280800000e+00 -3.4084000000e-01 -5.4061000000e-01 -4.6210000000e+00
ENERGY -9.171666420236e+02
EMD0 -3.135900610000e+02
FORCES  -5.3895000000e-03 -2.9656000000e-03 -5.1505000000e-03  8.4454000000e-03  6.0824000000e-03  6.5786000000e-03 -1.9419000000e-03 -2.7920000000e-03 -4.8131000000e-03 -1.3214400000e-02 -1.3707000000e-03  2.5819000000e-03 -2.5867000000e-03 -2.7410000000e-03  5.6470000000e-04  1.5408300000e-02  8.0690000000e-03 -4.6134000000e-03 -3.6836000000e-03  4.5414000000e-03  3.8154000000e-03  1.5527000000e-03  1.6327000000e-03 -1.0250000000e-03 -1.5318000000e-03 -6.8430000000e-03 -2.9037000000e-03  2.7570000000e-03 -8.4464000000e-03 -5.3025000000e-03  1.1025000000e-03 -1.0482900000e-02  7.6353000000e-03 -3.1454000000e-03  7.9883000000e-03 -6.1930000000e-04  2.1759000000e-03 -1.3549400000e-02 -7.6213000000e-03  2.9391000000e-03  1.8883200000e-02  7.1167000000e-03  3.3893000000e-03 -8.0599000000e-03 -5.5880000000e-04 -2.9462000000e-03  1.1792600000e-02 -9.2233000000e-03 -5.7340000000e-04  3.0001000000e-03 -3.2852000000e-03  2.8876000000e-03 -1.4088200000e-02  9.3641000000e-03 -6.2439000000e-03 -1.2264000000e-03  6.9976000000e-03  5.1030000000e-03  2.1854000000e-03 -5.6699000000e-03  2.6453000000e-03 -1.5004000000e-03 -5.7980000000e-04  4.1280000000e-03 -2.0345000000e-03  3.0100000000e-04 -1.0551500000e-02  5.3739000000e-03  2.5481000000e-03  7.5847000000e-03  2.3721000000e-03  1.2360000000e-04  7.2141000000e-03 -3.6670000000e-04  1.3023000000e-03 -1.1229100000e-02 -1.6981000000e-03  9.3206000000e-03  2.6676000000e-03  1.9528000000e-03 -6.0600000000e-03  7.9535000000e-03 -5.6240000000e-04 -1.0369000000e-03 -8.4514000000e-03 -4.7265000000e-03 -2.7642000000e-03 -2.8824000000e-03  2.6652000000e-03  3.3096000000e-03 -9.1423000000e-03 -4.0698000000e-03 -2.1485000000e-03 -1.0880700000e-02  5.7660000000e-04 -2.4488000000e-03  1.6851100000e-02  4.7140000000e-03  6.7627000000e-03  2.4030000000e-04 -3.3827000000e-03  3.6059000000e-03 -2.7289000000e-03  1.2643900000e-02 -7.8992000000e-03  2.0777000000e-03 -3.5669000000e-03  1.7952000000e-03

JOB 5
COORDS   1.4839900000e+00  1.8482300000e+00 -3.2941000000e+00  5.7470000000e-01  1.5978000000e+00 -3.1306800000e+00  1.5942300000e+00  1.7481900000e+00 -4.2396600000e+00  2.0957600000e+00 -5.4427000000e-01  1.7231400000e+00  2.7140400000e+00 -1.0194800000e+00  1.1680500000e+00  1.3075900000e+00 -1.0874300000e+00  1.7240600000e+00 -5.9926000000e-01 -1.9680000000e+00  1.9527600000e+00 -1.1020500000e+00 -1.7529800000e+00  2.7383800000e+00 -6.0160000000e-01 -2.9246600000e+00  1.9207000000e+00  3.3895600000e+00 -2.3815800000e+00 -1.8561000000e-01  3.9082700000e+00 -3.0744300000e+00 -5.9443000000e-01  3.1566800000e+00 -1.7982000000e+00 -9.0787000000e-01  5.1688000000e-01  1.3038900000e+00  1.8160000000e-02  1.0444300000e+00  9.6278000000e-01  7.4035000000e-01  1.0999200000e+00  1.9092700000e+00 -4.3989000000e-01 -1.4222600000e+00 -3.4731000000e-01  4.2717600000e+00 -1.4537800000e+00  3.8506000000e-01  3.6562200000e+00 -1.2065300000e+00  5.5310000000e-02  5.1129400000e+00  1.5135000000e-01 -1.9197500000e+00 -1.1156600000e+00 -2.5998000000e-01 -2.7613800000e+00 -9.1894000000e-01  7.1100000000e-03 -1.3926300000e+00 -3.2980000000e-01  2.3713400000e+00 -1.0113600000e+00 -2.2326400000e+00  2.0967300000e+00 -3.1373000000e-01 -2.8277300000e+00  1.5526400000e+00 -1.3782900000e+00 -1.8989900000e+00 -3.5698500000e+00  2.0997600000e+00  8.2939000000e-01 -3.0971800000e+00  2.0668000000e+00 -2.3100000000e-03 -4.1440700000e+00  1.3341800000e+00  8.0959000000e-01 -1.9464300000e+00  1.3729000000e+00 -1.1467700000e+00 -1.1745700000e+00  1.4068000000e+00 -5.8170000000e-01 -1.6902000000e+00  7.9920000000e-01 -1.8688800000e+00 -1.5764700000e+00  1.7167900000e+00  2.5428600000e+00 -1.0235200000e+00  2.4784100000e+00  2.3684500000e+00 -2.3375300000e+00  1.8377000000e+00  1.9750700000e+00 -8.3852000000e-01 -3.4330000000e-02 -3.2339900000e+00 -2.4591000000e-01 -7.1649000000e-01 -2.9182400000e+00 -1.5960300000e+00 -5.1206000000e-01 -3.5718900000e+00
ENERGY -9.171737242055e+02
EMD0 -3.285326960000e+02
FORCES  -2.1024000000e-03  7.4026000000e-03 -5.2400000000e-05  8.8426000000e-03 -3.8720000000e-04 -2.4936000000e-03 -2.9156000000e-03 -3.5654000000e-03  3.1040000000e-03  5.6291000000e-03 -9.4106000000e-03  5.8994000000e-03 -9.5840000000e-03  4.8469000000e-03  2.0593000000e-03  9.0605000000e-03  4.9711000000e-03 -9.5792000000e-03 -3.4129000000e-03  8.4415000000e-03  1.2516000000e-02 -4.3000000000e-05 -1.4338000000e-02 -1.2034900000e-02 -3.0063000000e-03  2.9555000000e-03  4.8500000000e-04 -1.3104000000e-03  6.2124000000e-03 -6.6153000000e-03 -2.3018000000e-03  1.9259000000e-03 -5.0235000000e-03 -7.0620000000e-04 -1.0581100000e-02  8.4181000000e-03  2.8330000000e-04 -7.7331000000e-03  6.0034000000e-03 -4.9422000000e-03  1.2529100000e-02 -1.1518700000e-02 -8.8260000000e-04 -1.0438000000e-03  6.1409000000e-03  2.9670000000e-04  1.1375800000e-02 -6.7014000000e-03  9.4660000000e-04 -1.2775900000e-02  1.2970800000e-02 -5.7170000000e-04  5.3489000000e-03 -2.5102000000e-03  1.0217600000e-02  2.3183000000e-03  6.7190000000e-04 -2.4358000000e-03  3.2935000000e-03  3.6952000000e-03  8.2810000000e-04 -8.7475000000e-03 -6.8902000000e-03 -1.0630000000e-04 -3.5430000000e-04  1.0678200000e-02 -1.0705300000e-02 -1.3031000000e-02  3.0900000000e-05  6.5722000000e-03  9.1365000000e-03 -7.0590000000e-03  1.0671900000e-02 -1.7723000000e-03 -1.0674400000e-02 -5.8386000000e-03  2.4843000000e-03  1.5148200000e-02  2.1264000000e-03  2.9170000000e-04 -1.5527000000e-03  9.4837000000e-03 -4.8468000000e-03 -1.8732000000e-03 -1.1801000000e-02  1.1189000000e-03 -8.6253000000e-03 -9.9180000000e-04  3.9320000000e-04  7.0032000000e-03 -1.5416400000e-02 -3.5158000000e-03 -9.2462000000e-03 -5.0744000000e-03  2.3814000000e-03 -3.0032000000e-03  1.7813200000e-02  4.0120000000e-04  8.9504000000e-03  4.0050000000e-04  1.6225000000e-03  5.1937000000e-03 -2.3370000000e-03  4.0993000000e-03 -9.1557000000e-03  3.3131000000e-03 -1.4477000000e-03  5.6403000000e-03

JOB 6
COORDS   1.2183800000e+00 -1.0891400000e+00 -4.6165900000e+00  2.6746000000e-01 -9.8712000000e-01 -4.5767300000e+00  1.3557000000e+00 -1.8301700000e+00 -5.2067200000e+00  2.4004600000e+00 -3.5490000000e-02  1.7397600000e+00  2.2104600000e+00 -7.7768000000e-01  2.3136000000e+00  2.3125000000e+00 -3.8813000000e-01  8.5424000000e-01 -1.5074700000e+00 -1.5967700000e+00  1.5768200000e+00 -1.3104100000e+00 -1.5806500000e+00  2.5133800000e+00 -1.5242400000e+00 -6.7503000000e-01  1.3192100000e+00  2.5415900000e+00 -1.0640300000e+00 -8.4519000000e-01  3.3096600000e+00 -1.5148500000e+00 -1.1960000000e+00  2.3016400000e+00 -4.3431000000e-01 -1.5249700000e+00  4.4960000000e-01  2.1270400000e+00  1.9160700000e+00  1.1621900000e+00  1.4971700000e+00  2.0243400000e+00 -1.5257000000e-01  1.9340100000e+00  2.6346500000e+00 -8.2956000000e-01 -1.2866400000e+00  4.3118600000e+00 -4.8334000000e-01 -1.3286400000e+00  5.2032700000e+00 -7.9541000000e-01 -3.5742000000e-01  4.0846800000e+00 -7.5590000000e-02 -1.9401500000e+00 -1.4190900000e+00  8.6617000000e-01 -1.7873500000e+00 -1.3418000000e+00 -4.0148000000e-01 -1.8894600000e+00 -5.2051000000e-01  1.6213100000e+00  6.5573000000e-01 -2.7127800000e+00  1.4599800000e+00  9.8150000000e-02 -3.4739100000e+00  1.7444200000e+00  1.5316100000e+00 -3.0787200000e+00 -2.5869900000e+00  1.0438600000e+00  6.5977000000e-01 -1.9428100000e+00  1.3204900000e+00  8.0600000000e-03 -3.2684100000e+00  1.7151200000e+00  6.2363000000e-01 -4.1547000000e-01  1.5432900000e+00 -8.9578000000e-01 -7.6100000000e-03  1.9813700000e+00 -1.4880000000e-01  3.1747000000e-01  1.1657600000e+00 -1.3820900000e+00 -1.5136500000e+00  1.6357900000e+00  3.5723400000e+00 -1.8109200000e+00  2.5448500000e+00  3.6106100000e+00 -1.8884800000e+00  1.2947100000e+00  2.7603000000e+00 -1.3851100000e+00 -8.7080000000e-02 -3.2869300000e+00 -9.7873000000e-01 -7.5154000000e-01 -2.7305300000e+00 -1.4200900000e+00  6.9658000000e-01 -2.7384000000e+00
ENERGY -9.171731628401e+02
EMD0 -3.440971150000e+02
FORCES   6.3483000000e-03  5.3243000000e-03  7.2392000000e-03  1.2591000000e-02 -5.1158000000e-03 -2.7325000000e-03 -8.7760000000e-03  5.0450000000e-04 -8.9410000000e-04  5.6001000000e-03 -3.5364000000e-03 -1.1988100000e-02 -8.8400000000e-05  3.8150000000e-04 -4.2475000000e-03 -4.9314000000e-03  2.2022000000e-03  1.3847100000e-02 -6.9704000000e-03 -4.2063000000e-03  6.7328000000e-03 -1.4492000000e-03  1.3415200000e-02 -7.3246000000e-03  8.8964000000e-03 -4.4846000000e-03  7.3159000000e-03 -2.2035000000e-03  1.0289000000e-02 -1.5714000000e-03 -2.9475000000e-03  3.5999000000e-03 -5.6188000000e-03  2.7316000000e-03 -1.8412800000e-02  7.6980000000e-03 -5.7840000000e-03 -4.6687000000e-03  1.3544700000e-02 -1.3680500000e-02  6.8354000000e-03  6.0938000000e-03  2.2343000000e-03 -2.8823000000e-03 -5.5204000000e-03 -4.3257000000e-03 -4.7181000000e-03  6.2800000000e-05  7.2500000000e-04  6.5177000000e-03 -1.6890000000e-03  2.9924000000e-03 -9.7675000000e-03 -2.0840000000e-03  5.0934000000e-03 -3.6837000000e-03  6.8852000000e-03 -7.6763000000e-03  2.4522000000e-03 -1.1784000000e-03  9.0423000000e-03  2.8979000000e-03 -7.0003000000e-03 -1.8191000000e-03 -1.5246100000e-02 -9.4426000000e-03 -1.2088000000e-03  1.3483800000e-02  8.0302000000e-03 -3.7130000000e-03 -3.8273000000e-03 -3.5448000000e-03  5.5391000000e-03 -6.9601000000e-03 -1.4500700000e-02 -1.3804600000e-02  5.4140000000e-03  1.0937300000e-02  6.6746000000e-03  3.3114000000e-03 -1.7963000000e-03  1.7798000000e-03 -6.0143000000e-03  3.2660000000e-04 -1.1954000000e-03 -5.5618000000e-03 -1.6161100000e-02 -2.4902000000e-03  1.0833100000e-02  1.0234400000e-02  2.6233000000e-03  9.9140000000e-04 -3.0608000000e-03  1.5597000000e-03 -2.6775000000e-03 -7.3226000000e-03  1.1479600000e-02  7.4392000000e-03  1.1722400000e-02 -2.7712000000e-03 -1.6926000000e-03  1.0532800000e-02 -1.4691000000e-03  1.1673200000e-02 -1.3418300000e-02  1.3933000000e-03 -4.1101000000e-03 -1.0720000000e-04

JOB 7
COORDS  -6.7327000000e-01  3.0223000000e-01 -3.8495200000e+00 -1.1418100000e+00 -3.1924000000e-01 -3.2923200000e+00 -2.1509000000e-01 -2.4525000000e-01 -4.4871400000e+00  3.2670900000e+00 -1.0377400000e+00  1.3796000000e+00  3.0307500000e+00 -1.6593700000e+00  2.0680300000e+00  2.7122600000e+00 -1.2788000000e+00  6.3778000000e-01  1.0319600000e+00 -4.4479000000e-01  3.8679500000e+00  4.6329000000e-01 -7.9022000000e-01  3.1798200000e+00  4.7422000000e-01  1.5745000000e-01  4.3603700000e+00  1.8888900000e+00 -1.0727500000e+00 -1.0151400000e+00  2.7131200000e+00 -1.4613900000e+00 -1.3081100000e+00  1.8268200000e+00 -2.4891000000e-01 -1.4985500000e+00  2.0226600000e+00  1.5550300000e+00  1.7664100000e+00  2.5269600000e+00  7.7016000000e-01  1.5522000000e+00  2.0899700000e+00  1.6311900000e+00  2.7182000000e+00 -6.9082000000e-01 -1.0892700000e+00  1.5195400000e+00 -1.1363900000e+00 -1.9318700000e+00  1.6073800000e+00 -1.2424200000e+00 -4.7452000000e-01  2.0033300000e+00 -7.6027000000e-01 -2.8378600000e+00 -6.1361000000e-01 -8.3870000000e-02 -2.9745700000e+00 -1.2769600000e+00 -4.0876000000e-01 -2.1477300000e+00 -5.1130000000e-02  1.4965100000e+00  1.3595300000e+00 -2.1823600000e+00  7.3413000000e-01  1.2148600000e+00 -2.7427900000e+00  1.2840800000e+00  2.1510800000e+00 -1.6878300000e+00 -2.4094700000e+00  1.5659000000e+00 -1.5548300000e+00 -1.7908400000e+00  2.0489900000e+00 -1.0069700000e+00 -2.0220900000e+00  1.5867000000e+00 -2.4298900000e+00 -3.9546000000e-01  1.6959700000e+00  4.5129000000e-01  5.0825000000e-01  1.8883200000e+00  7.0136000000e-01 -4.7455000000e-01  7.4701000000e-01  5.4841000000e-01 -2.5049600000e+00  1.0056400000e+00  2.3885900000e+00 -3.1339800000e+00  8.8944000000e-01  1.6765000000e+00 -2.1651200000e+00  1.8920900000e+00  2.2663300000e+00 -2.2729000000e+00 -9.8673000000e-01 -2.1761100000e+00 -1.9894800000e+00 -1.5316700000e+00 -1.4419900000e+00 -2.5450500000e+00 -1.6267000000e-01 -1.7722600000e+00
ENERGY -9.171743279916e+02
EMD0 -3.236784910000e+02
FORCES  -1.6826900000e-02 -1.0771600000e-02  7.4451000000e-03  1.4770700000e-02  1.2363900000e-02 -1.5100800000e-02 -1.5132000000e-03 -4.5461000000e-03  5.3740000000e-03 -1.8701000000e-03  1.7294000000e-03 -5.5996000000e-03 -2.3906000000e-03 -3.2030000000e-03 -7.8344000000e-03  8.1206000000e-03 -5.9816000000e-03  9.6278000000e-03  4.9170000000e-04 -2.7892000000e-03 -5.0694000000e-03 -2.2566000000e-03  3.9632000000e-03  1.0853000000e-02 -9.4330000000e-04 -1.3024000000e-03 -5.1705000000e-03 -4.7465000000e-03  2.1782000000e-02 -3.6807000000e-03 -2.0512000000e-03  4.3276000000e-03  4.6877000000e-03  6.9855000000e-03 -2.2259700000e-02  1.1153000000e-03  1.7874000000e-03 -1.1845800000e-02  2.1856000000e-03 -6.2252000000e-03  1.3494100000e-02  1.6984000000e-03  3.1099000000e-03  9.9450000000e-04 -1.0790000000e-03 -4.0001000000e-03  6.8461000000e-03 -5.6013000000e-03  2.1290000000e-03  6.0769000000e-03 -1.7224000000e-03  1.1612900000e-02 -1.6641300000e-02 -3.8632000000e-03  3.0189000000e-03  4.9170000000e-04 -1.3300000000e-05 -8.5910000000e-04  9.7760000000e-04  2.4578000000e-03 -7.9908000000e-03 -6.8215000000e-03  1.6542000000e-03 -2.7506000000e-03 -2.9502000000e-03 -8.4920000000e-04  1.0467500000e-02  8.2670000000e-03  1.1936900000e-02 -4.7311000000e-03  3.0770000000e-04 -6.2564000000e-03  4.1952000000e-03 -6.1862000000e-03  3.9612000000e-03 -6.8362000000e-03  1.4404000000e-03 -1.2810900000e-02  8.0520000000e-04 -2.7880000000e-03  8.7666000000e-03  1.3081100000e-02 -6.4452000000e-03  9.4458000000e-03 -1.1621100000e-02 -1.0879000000e-03 -1.0917900000e-02 -1.2132000000e-03  5.0503000000e-03  2.5947000000e-03  8.4510000000e-04  6.5329000000e-03 -3.4810000000e-04  4.2343000000e-03  1.1538000000e-03  1.7313000000e-03 -7.8595000000e-03 -1.5708000000e-03  8.7950000000e-04  1.5412000000e-03  7.3307000000e-03  2.6392000000e-03 -6.4064000000e-03  1.5306700000e-02  9.2900000000e-04  5.8955000000e-03 -1.1246200000e-02 -4.0660000000e-03

JOB 8
COORDS   5.1383000000e-01 -5.7531000000e-01 -3.3800800000e+00  9.3109000000e-01 -1.3811000000e+00 -3.0753900000e+00 -3.5996000000e-01 -5.9513000000e-01 -2.9897900000e+00  4.1191600000e+00  1.9540000000e+00  3.4902000000e-01  4.9213700000e+00  2.4562100000e+00  2.0591000000e-01  3.7320200000e+00  1.8667700000e+00 -5.2204000000e-01  1.5289400000e+00 -1.5541700000e+00  2.9950000000e+00  5.9872000000e-01 -1.4997000000e+00  2.7760200000e+00  1.6776800000e+00 -2.4811500000e+00  3.1815900000e+00  9.7406000000e-01 -1.2957300000e+00 -2.8523000000e-01  1.6374900000e+00 -6.7927000000e-01  2.4720000000e-02  4.1742000000e-01 -1.4527700000e+00  4.7748000000e-01  1.7382300000e+00  9.9890000000e-01  1.6810500000e+00  2.6133200000e+00  1.2837100000e+00  1.4177300000e+00  1.8931100000e+00  2.5687000000e-01  2.2655500000e+00 -1.2618100000e+00 -1.5256000000e+00  1.6515700000e+00 -1.6129200000e+00 -2.0681500000e+00  9.4546000000e-01 -1.8092200000e+00 -7.4040000000e-01  1.6457800000e+00 -1.1925400000e+00 -3.3253000000e+00 -4.8850000000e-01 -1.1478200000e+00 -4.2531600000e+00 -2.5762000000e-01 -3.9801000000e-01 -3.1662300000e+00 -9.9807000000e-01  2.1573000000e+00  1.5103100000e+00 -1.6791400000e+00  1.8023400000e+00  1.0112500000e+00 -2.4147800000e+00  1.3893800000e+00  1.7570200000e+00 -1.1637100000e+00 -2.7362100000e+00  2.1940800000e+00 -5.5710000000e-01 -1.7945700000e+00  2.2242500000e+00 -3.8790000000e-01 -2.8331300000e+00  1.5526900000e+00 -1.2609900000e+00 -4.3260000000e-02  1.6153400000e+00 -3.9898000000e-01  4.4885000000e-01  1.4818300000e+00  4.1110000000e-01 -4.9796000000e-01  7.8546000000e-01 -5.4311000000e-01 -2.9491700000e+00  5.1793000000e-01  1.6906700000e+00 -2.8006300000e+00  1.2877600000e+00  1.1415600000e+00 -3.5466000000e+00  8.2213000000e-01  2.3738800000e+00 -2.7808900000e+00 -3.2536000000e-01 -1.6003300000e+00 -2.8032300000e+00 -1.2431800000e+00 -1.8711400000e+00 -3.5188300000e+00 -2.3500000000e-01 -9.9741000000e-01
ENERGY -9.171755250967e+02
EMD0 -3.287712610000e+02
FORCES   2.0360000000e-04  9.5230000000e-04  1.4549000000e-03 -5.3517000000e-03 -2.7490000000e-04 -2.8487000000e-03  2.4724000000e-03 -5.3268000000e-03 -1.9489000000e-03 -4.7859000000e-03 -1.0960000000e-03 -1.4521000000e-03 -1.9113000000e-03 -8.1910000000e-04 -7.8739000000e-03  1.4038900000e-02  6.0013000000e-03  1.1487000000e-02  6.2020000000e-04  1.0160000000e-04  3.1300000000e-05  1.2964900000e-02 -1.9449000000e-03  3.3031000000e-03 -6.4044000000e-03 -1.8060000000e-04 -6.9740000000e-04  2.5831000000e-03  4.7095000000e-03  8.0502000000e-03 -5.6204000000e-03 -4.8796000000e-03  2.7218000000e-03  7.9191000000e-03  9.0750000000e-04 -8.0361000000e-03  3.5226000000e-03  1.2047000000e-03  4.8384000000e-03 -1.0874300000e-02 -1.0989500000e-02  5.6608000000e-03  4.1012000000e-03  8.7288000000e-03 -7.1273000000e-03 -1.4028600000e-02  6.6619000000e-03  6.4590000000e-04 -3.6903000000e-03  1.0961800000e-02  4.3805000000e-03  6.5375000000e-03 -1.3219200000e-02 -9.0606000000e-03  2.4810000000e-03  4.8181000000e-03  4.2391000000e-03  4.4763000000e-03  2.4450000000e-03 -3.1454000000e-03 -5.6083000000e-03 -8.7376000000e-03 -3.3430000000e-04 -2.4441900000e-02 -1.3194000000e-03  5.2197000000e-03  3.8280000000e-04  5.3955000000e-03  4.8838000000e-03  8.1727000000e-03 -2.0222000000e-03  2.3476000000e-03  1.0454300000e-02 -7.8110000000e-04 -9.4944000000e-03 -1.4327000000e-02 -1.0277100000e-02  3.0770000000e-03 -8.5000000000e-04 -2.5915000000e-03  6.2600000000e-03  2.2910000000e-02 -5.8684000000e-03 -3.1520000000e-03 -7.5152000000e-03  2.1586000000e-03 -2.0786900000e-02 -5.3612000000e-03  1.0840100000e-02  6.2607000000e-03  6.3869000000e-03 -1.0351000000e-03 -6.8258000000e-03  9.5380000000e-04 -7.7167000000e-03  1.6515400000e-02  1.4690000000e-04  5.4711000000e-03 -4.5471000000e-03  1.3770000000e-03  4.6486000000e-03 -3.4350000000e-04 -4.0078000000e-03  3.3202000000e-03  3.5797000000e-03  2.0734000000e-03 -2.4690000000e-04 -7.2826000000e-03

JOB 9
COORDS   5.4366000000e-01 -3.5300000000e-01 -1.9840900000e+00  1.3779600000e+00 -3.2150000000e-01 -2.4522600000e+00  7.3934000000e-01 -8.2849000000e-01 -1.1767200000e+00  3.0596000000e+00 -4.6543000000e-01 -2.7161900000e+00  3.7867300000e+00 -9.9594000000e-01 -2.3904900000e+00  3.1905700000e+00  3.9357000000e-01 -2.3146900000e+00  1.1377700000e+00 -6.2132000000e-01  3.2783300000e+00  5.1350000000e-01 -2.3858000000e-01  3.8948000000e+00  1.5844600000e+00 -1.3025300000e+00  3.7809800000e+00  7.8076000000e-01 -1.4771000000e+00  5.5731000000e-01  7.9952000000e-01 -1.0013800000e+00  1.3877100000e+00 -1.4502000000e-01 -1.6738700000e+00  4.1432000000e-01  1.1496400000e+00  1.6026400000e+00  1.6187300000e+00  1.9671500000e+00  1.5813800000e+00  1.1212900000e+00  1.3613400000e+00  1.1718300000e+00  2.4468700000e+00 -1.0114000000e+00 -2.7410000000e-01  4.8918200000e+00 -1.6124900000e+00 -3.4197000000e-01  5.6336500000e+00 -1.5760500000e+00 -8.7830000000e-02  4.1416800000e+00 -1.9673000000e+00  1.9684000000e-01 -2.3333400000e+00 -1.9367100000e+00  1.1519300000e+00 -2.3890000000e+00 -1.0495100000e+00 -7.4240000000e-02 -2.3533500000e+00  2.9344400000e+00  1.9957600000e+00 -5.5112000000e-01  3.5911200000e+00  2.6439500000e+00 -8.0579000000e-01  2.1100600000e+00  2.3424800000e+00 -8.9233000000e-01 -1.9981600000e+00 -1.4426000000e+00 -6.7290000000e-02 -2.0602100000e+00 -6.1316000000e-01 -5.4102000000e-01 -2.4411300000e+00 -2.0755000000e+00 -6.3249000000e-01  2.5313000000e-01  2.2616000000e+00 -9.3693000000e-01  4.5256000000e-01  2.0572100000e+00 -2.3320000000e-02  3.3859000000e-01  1.4250200000e+00 -1.3941700000e+00 -1.7085700000e+00  2.8401000000e-01  2.2668800000e+00 -2.1450900000e+00 -3.8103000000e-01  1.7345100000e+00 -1.2388800000e+00  8.2754000000e-01  1.6342700000e+00 -3.2712400000e+00 -1.7794100000e+00 -4.0530500000e+00 -2.5516300000e+00 -1.3610400000e+00 -3.5804400000e+00 -3.4922600000e+00 -1.1613300000e+00 -4.7497300000e+00
ENERGY -9.171819846174e+02
EMD0 -3.421266600000e+02
FORCES   8.4066000000e-03 -1.2282800000e-02  5.5428000000e-03 -6.3376000000e-03  1.0743400000e-02  9.5631000000e-03 -2.7904000000e-03  6.0795000000e-03 -1.9572200000e-02 -8.6703000000e-03 -6.1655000000e-03  2.6957000000e-03  2.7293000000e-03  7.0674000000e-03  6.2700000000e-04 -2.9879000000e-03 -8.5260000000e-03 -5.5564000000e-03 -1.2335200000e-02 -1.8033000000e-03  2.9592000000e-03  1.3061700000e-02  1.5239000000e-03 -7.0966000000e-03 -2.2723000000e-03  1.7620000000e-03  2.6783000000e-03 -2.0844000000e-03  6.0020000000e-04  1.2314300000e-02 -6.0455000000e-03 -4.5158000000e-03 -1.1198500000e-02  1.2006500000e-02  6.3352000000e-03 -4.6920000000e-04  8.2610000000e-04 -5.6170000000e-03  2.6945000000e-03 -1.0909700000e-02 -9.0870000000e-04  4.5092000000e-03  5.0854000000e-03  7.7125000000e-03 -4.8877000000e-03  7.1775000000e-03  4.2890000000e-04 -8.3350000000e-03 -6.4798000000e-03  3.8610000000e-04 -6.9264000000e-03 -8.3230000000e-04 -3.8581000000e-03  1.7440300000e-02  1.4925200000e-02 -4.5687000000e-03 -1.7885000000e-03  5.5165000000e-03 -3.4845000000e-03 -2.5000000000e-06 -1.8851800000e-02  7.2981000000e-03  9.8440000000e-04 -1.4734000000e-02  3.6633000000e-03  5.7092000000e-03 -6.1053000000e-03 -3.5980000000e-04 -5.1033000000e-03  1.7645300000e-02 -4.7718000000e-03  5.8138000000e-03 -1.5869000000e-03  4.3069000000e-03 -9.7398000000e-03  1.9546000000e-03 -8.4437000000e-03  1.2715400000e-02  2.1629000000e-03  3.0311000000e-03 -5.3050000000e-04 -6.2424000000e-03 -9.3659000000e-03  6.0947000000e-03  1.1732800000e-02 -8.8700000000e-04 -1.4906200000e-02  3.4488000000e-03  1.3656800000e-02  6.2429000000e-03  4.3077000000e-03 -9.8300000000e-04 -4.6200000000e-05  2.6480000000e-03  9.0707000000e-03  2.0901000000e-03 -7.4216000000e-03 -6.1335000000e-03 -3.7722000000e-03 -1.8470000000e-04  4.7664000000e-03  4.2666000000e-03  3.2060000000e-04 -5.7919000000e-03 -6.1819000000e-03  2.9170000000e-03  3.4600000000e-05  1.1718000000e-03

JOB 10
COORDS   1.1847000000e-01 -1.2829200000e+00 -2.0714000000e+00 -1.5833000000e-01 -2.0484100000e+00 -2.5750400000e+00  9.0200000000e-02 -1.5725700000e+00 -1.1595100000e+00  4.4867200000e+00  1.3786000000e+00 -3.2593000000e-01  4.4589800000e+00  2.3289000000e+00 -4.3728000000e-01  4.0655100000e+00  1.0323800000e+00 -1.1126600000e+00  2.1225700000e+00 -6.0370000000e-02  1.8189800000e+00  2.6786800000e+00 -2.2892000000e-01  2.5796200000e+00  2.7342000000e+00  1.8052000000e-01  1.1232000000e+00 -8.4600000000e-02 -1.7041600000e+00  5.9604000000e-01  3.0652000000e-01 -1.0931500000e+00  1.2204800000e+00 -9.2151000000e-01 -1.9483100000e+00  9.9126000000e-01  3.6776000000e-01  2.1980100000e+00  1.4403800000e+00  7.6165000000e-01  2.8255500000e+00  2.0464200000e+00  1.0113400000e+00  1.4926400000e+00  1.3734400000e+00  4.7740000000e-02 -8.4636000000e-01  5.1281600000e+00  4.4314000000e-01 -1.5215900000e+00  4.5768400000e+00 -5.6853000000e-01 -3.9565000000e-01  4.5508300000e+00 -3.2357500000e+00  6.6555000000e-01 -9.0259000000e-01 -2.4560500000e+00  1.1853900000e+00 -1.0977400000e+00 -3.9687500000e+00  1.2434400000e+00 -1.1147000000e+00  2.7356600000e+00  1.9064000000e-01 -2.0215600000e+00  2.0144200000e+00 -4.3561000000e-01 -1.9594400000e+00  2.6317100000e+00  5.9155000000e-01 -2.8845200000e+00 -3.1662900000e+00 -1.1065700000e+00  1.2383800000e+00 -3.1743400000e+00 -5.3912000000e-01  4.6756000000e-01 -4.0206200000e+00 -1.5381400000e+00  1.2276000000e+00 -5.1725000000e-01  1.4874400000e+00 -1.3675400000e+00  1.4183000000e-01  1.8054000000e+00 -7.5050000000e-01 -1.3615000000e-01  6.9054000000e-01 -1.7362500000e+00 -1.4641800000e+00  2.8144000000e-01  2.6940100000e+00 -1.9852400000e+00 -2.7337000000e-01  2.1135700000e+00 -1.3107100000e+00  1.0798600000e+00  2.1888300000e+00 -1.3740800000e+00 -1.2820600000e+00 -6.0415700000e+00 -1.5858300000e+00 -4.6665000000e-01 -5.5871600000e+00 -1.6220900000e+00 -1.1208600000e+00 -6.9519200000e+00
ENERGY -9.171612023583e+02
EMD0 -2.955758500000e+02
FORCES  -8.6866000000e-03 -2.2397000000e-03  1.1006600000e-02 -1.5440000000e-04 -3.2251000000e-03  8.5160000000e-03  3.8137000000e-03 -6.7480000000e-04 -2.2421700000e-02 -1.1193000000e-03 -6.6712000000e-03 -6.8048000000e-03 -2.9061000000e-03 -3.1751000000e-03 -4.7594000000e-03  6.8367000000e-03  1.2910900000e-02  2.9698000000e-03  4.9580000000e-04 -3.1633000000e-03  4.2744000000e-03  4.1123000000e-03  1.5540000000e-04 -5.6921000000e-03 -8.2104000000e-03  2.4220000000e-04  9.1308000000e-03  1.5942000000e-03  3.8062000000e-03 -9.4000000000e-04 -1.0328100000e-02 -5.9063000000e-03 -3.1610000000e-03  7.7930000000e-03  1.7622000000e-03  3.1909000000e-03  1.9563000000e-03 -7.0587000000e-03  6.7123000000e-03  2.3839000000e-03 -3.1183000000e-03 -1.3364000000e-03 -2.1304000000e-03  1.2033000000e-02 -8.3947000000e-03 -3.8229000000e-03  3.4743000000e-03 -1.3490000000e-03 -1.2918000000e-03  1.8356000000e-03 -5.7390000000e-04  6.4708000000e-03 -7.5953000000e-03  6.7982000000e-03  1.0297100000e-02 -1.8553000000e-03  3.1190000000e-04 -2.1269200000e-02  9.5340000000e-04 -5.0510000000e-04  5.3876000000e-03  3.0343000000e-03 -2.0176000000e-03 -7.9420000000e-04 -7.4435000000e-03  6.4118000000e-03  7.7351000000e-03  1.0730800000e-02 -2.1968000000e-03 -8.5650000000e-04 -1.0381000000e-03  2.8029000000e-03  3.4621000000e-03  1.2808100000e-02  3.2716000000e-03 -1.2769000000e-03 -1.2462200000e-02  1.6154000000e-02 -9.9500000000e-04  3.2803000000e-03 -7.3040000000e-03 -5.9300000000e-04 -1.6109000000e-03  1.8705000000e-03  4.6367000000e-03 -8.9615000000e-03 -8.5077000000e-03  5.5782000000e-03  1.1116900000e-02  7.4297000000e-03 -1.0874200000e-02 -1.1931000000e-03 -3.7778000000e-03  1.2755400000e-02  7.3673000000e-03 -7.6316000000e-03 -9.6858000000e-03 -8.2060000000e-03 -2.3980000000e-03  1.0005000000e-03 -3.1363000000e-03  9.5300000000e-04 -8.5060000000e-04 -9.2890000000e-04 -6.0243000000e-03 -4.6380000000e-04  4.1528000000e-03  3.9916000000e-03

JOB 11
COORDS   4.1176000000e-01 -1.2822000000e+00 -2.1126900000e+00 -4.5859000000e-01 -1.5953600000e+00 -2.3589600000e+00  6.1533000000e-01 -1.7509300000e+00 -1.3033100000e+00  4.1074200000e+00  1.4579800000e+00  9.8993000000e-01  5.0205000000e+00  1.6613000000e+00  7.8702000000e-01  3.7998400000e+00  9.5614000000e-01  2.3508000000e-01  1.5575900000e+00  1.0417300000e+00  1.7224400000e+00  1.5863800000e+00  1.6984000000e-01  2.1164100000e+00  2.4763600000e+00  1.2773600000e+00  1.5937200000e+00  2.3615300000e+00 -2.2947700000e+00  1.4634000000e-01  2.7062900000e+00 -3.1337200000e+00 -1.5949000000e-01  2.5141300000e+00 -2.3027000000e+00  1.0912600000e+00 -9.3020000000e-02  1.1618900000e+00 -8.0620000000e-01  5.5627000000e-01  1.1874900000e+00 -1.0336000000e-01  2.6289000000e-01  5.3823000000e-01 -1.4391300000e+00  7.0651000000e-01 -1.9161900000e+00  2.8029700000e+00  5.0198000000e-01 -1.8750600000e+00  3.7371600000e+00 -5.7880000000e-02 -1.5328900000e+00  2.3728400000e+00 -3.3179800000e+00  2.2843200000e+00  1.0006100000e+00 -3.0797300000e+00  2.7826300000e+00  2.1884000000e-01 -3.4112200000e+00  2.9448500000e+00  1.6870700000e+00  3.5437600000e+00 -1.8523000000e-01 -1.1238300000e+00  2.9263100000e+00  3.5650000000e-02 -1.8211100000e+00  3.1858900000e+00 -9.8060000000e-01 -7.2943000000e-01 -3.8960000000e+00 -1.1053600000e+00 -7.4765000000e-01 -4.7421400000e+00 -6.7010000000e-01 -6.4359000000e-01 -3.2842700000e+00 -5.6295000000e-01 -2.4986000000e-01 -1.4951900000e+00  3.4434000000e+00 -7.2061000000e-01 -1.0327600000e+00  2.6360100000e+00 -9.4535000000e-01 -1.1173900000e+00  3.7111000000e+00  1.1714000000e-01 -1.8005000000e+00 -1.6427000000e-01  1.0532100000e+00 -2.3382700000e+00  6.0653000000e-01  1.2345800000e+00 -1.1381900000e+00  1.4519000000e-01  4.3530000000e-01 -2.1270200000e+00 -2.4022600000e+00 -2.3415800000e+00 -2.8009300000e+00 -1.8117500000e+00 -2.0048800000e+00 -2.0241000000e+00 -3.0638600000e+00 -1.6575300000e+00
ENERGY -9.171882205226e+02
EMD0 -3.459388280000e+02
FORCES  -1.5809500000e-02 -8.8828000000e-03 -6.3808000000e-03  1.7439100000e-02  3.8562000000e-03  8.7433000000e-03 -6.0652000000e-03  1.7407000000e-03 -5.0365000000e-03 -5.3401000000e-03 -4.0298000000e-03 -5.1813000000e-03 -7.1340000000e-04 -3.5743000000e-03 -5.5747000000e-03  1.1362000000e-03  1.0286800000e-02  1.7577700000e-02  1.1236900000e-02  4.8808000000e-03  7.3720000000e-03  5.4009000000e-03  5.3832000000e-03 -3.9539000000e-03 -9.9762000000e-03 -1.1752000000e-02 -3.7687000000e-03 -3.4237000000e-03  4.8862000000e-03  3.1532000000e-03  8.8910000000e-04  3.3341000000e-03  4.8319000000e-03  7.6097000000e-03 -4.9002000000e-03 -8.3040000000e-03 -1.0770000000e-04 -9.1610000000e-04 -4.9301000000e-03 -9.5921000000e-03 -5.4023000000e-03 -1.5779200000e-02  4.1310000000e-03  1.2874400000e-02  1.3112800000e-02 -3.8396000000e-03 -5.1637000000e-03 -9.1000000000e-05 -3.2635000000e-03  2.0528000000e-03 -3.3691000000e-03  7.7829000000e-03 -1.4477000000e-03  8.2371000000e-03  6.7444000000e-03  3.7012000000e-03 -1.0463700000e-02 -9.3833000000e-03 -9.7210000000e-04  1.4715800000e-02  2.2024000000e-03  2.7804000000e-03 -4.9684000000e-03 -8.4330000000e-04 -1.0763500000e-02  4.4910000000e-03 -2.9850000000e-04 -2.6593000000e-03  4.6668000000e-03  4.1036000000e-03  1.0700500000e-02 -7.9919000000e-03  6.0546000000e-03 -3.5993000000e-03  3.8623000000e-03  4.0738000000e-03  2.9212000000e-03  4.5235000000e-03 -1.2773300000e-02  1.4491000000e-03 -1.1442800000e-02  1.2521200000e-02 -1.3527400000e-02 -5.1487000000e-03 -7.0307000000e-03  1.2311300000e-02  5.7659000000e-03 -4.1118000000e-03 -3.5964000000e-03 -2.2350000000e-04  2.8305000000e-03  1.3614500000e-02 -1.0209000000e-03  4.4421000000e-03 -1.2590000000e-02 -6.3227000000e-03 -6.2284000000e-03 -5.0855000000e-03  8.9261000000e-03 -1.5722000000e-02  4.8799000000e-03  3.5528000000e-03  1.3062200000e-02 -6.5900000000e-03 -3.7458000000e-03  2.8620000000e-03  3.7988000000e-03  1.6550000000e-04

JOB 12
COORDS   5.5585000000e-01 -3.4642000000e-01 -2.1749300000e+00 -6.8600000000e-03 -1.1191900000e+00 -2.1257500000e+00  9.5790000000e-01 -2.8676000000e-01 -1.3083100000e+00  3.6142100000e+00  4.6230000000e-02 -6.1695000000e-01  3.8798200000e+00  9.6810000000e-02 -1.5351700000e+00  4.2974100000e+00 -4.7717000000e-01 -1.9798000000e-01  1.6489900000e+00  1.6279900000e+00  4.0839000000e-01  1.3265500000e+00  9.8520000000e-01  1.0401200000e+00  2.4947600000e+00  1.2815600000e+00  1.2396000000e-01  2.0786300000e+00 -2.2841300000e+00 -1.9905000000e-01  1.3086500000e+00 -2.1327500000e+00  3.4908000000e-01  2.5025300000e+00 -1.4280200000e+00 -2.5911000000e-01 -7.2064000000e-01  1.8537700000e+00 -1.1289300000e+00  6.2320000000e-02  2.1321400000e+00 -6.5384000000e-01 -3.9079000000e-01  1.2776100000e+00 -1.8184700000e+00  2.5166000000e-01 -1.1919300000e+00  1.3775000000e+00  2.6207000000e-01 -1.5753000000e+00  2.2545100000e+00 -5.5190000000e-01 -6.7242000000e-01  1.3522100000e+00 -3.8908800000e+00  2.3310400000e+00  1.6464700000e+00 -3.5552600000e+00  3.1953200000e+00  1.4085500000e+00 -4.7712200000e+00  2.4995800000e+00  1.9823600000e+00  4.7521500000e+00 -2.3317700000e+00  5.9607000000e-01  5.1667100000e+00 -2.9010600000e+00  1.2443600000e+00  3.9452700000e+00 -2.7879400000e+00  3.5713000000e-01 -2.7022700000e+00 -2.5703900000e+00  3.9382000000e-01 -3.4674500000e+00 -2.8250300000e+00 -1.2182000000e-01 -2.8466800000e+00 -1.6462600000e+00  5.9724000000e-01 -2.4963100000e+00  4.7567100000e+00  8.5337000000e-01 -2.4519200000e+00  5.3725900000e+00  1.2196000000e-01 -1.6225400000e+00  4.7837700000e+00  1.2432600000e+00 -1.9898400000e+00  5.0551000000e-01  7.0826000000e-01 -2.6676100000e+00  1.1308800000e+00  9.6472000000e-01 -1.4725000000e+00  9.6898000000e-01  4.9640000000e-02 -1.1004200000e+00 -2.4080700000e+00 -1.9786800000e+00 -1.5010800000e+00 -2.3626500000e+00 -1.1105500000e+00 -9.0252000000e-01 -3.3362400000e+00 -2.1034000000e+00
ENERGY -9.171830274693e+02
EMD0 -3.400979800000e+02
FORCES  -8.6860000000e-03 -1.9538000000e-02 -8.0080000000e-04  7.8852000000e-03  1.3896400000e-02  5.7930000000e-03 -5.4537000000e-03  9.2600000000e-05 -8.6320000000e-04 -3.7288000000e-03 -9.9680000000e-04  4.2982000000e-03  5.5090000000e-03 -2.4764000000e-03  4.9149000000e-03 -8.2899000000e-03  6.7404000000e-03 -1.2104900000e-02  8.5722000000e-03 -4.5990000000e-03 -4.8110000000e-03  4.6253000000e-03  3.0428000000e-03 -3.6848000000e-03 -8.7880000000e-03  2.1269000000e-03  7.3540000000e-03 -9.8611000000e-03  1.2509800000e-02  2.3221000000e-03  8.3753000000e-03  9.0700000000e-05 -2.0370000000e-03 -1.1516000000e-03 -7.1840000000e-03  5.6960000000e-03  6.8836000000e-03 -1.3746100000e-02 -3.1098000000e-03 -1.0847600000e-02 -2.1530000000e-03 -3.2263000000e-03 -2.4946000000e-03  1.2610800000e-02  8.4792000000e-03 -5.3532000000e-03 -1.1294000000e-03 -1.1461800000e-02 -2.7545000000e-03  3.0792000000e-03 -1.8730000000e-03  1.6851000000e-02 -1.0182500000e-02  9.2478000000e-03  5.0659000000e-03 -1.9285000000e-03 -2.7270000000e-03 -9.6594000000e-03 -9.5737000000e-03  6.8549000000e-03  1.9354000000e-03  7.0948000000e-03 -1.1635000000e-03 -6.4781000000e-03  7.3470000000e-04 -2.4525000000e-03 -6.5455000000e-03 -4.4587000000e-03 -1.3679000000e-03  1.5688200000e-02 -3.3350000000e-04  5.8828000000e-03  7.8930000000e-04  1.5132000000e-03  6.7547000000e-03  2.9918000000e-03  4.8425000000e-03 -1.0770000000e-04 -5.8509000000e-03 -1.2793300000e-02 -4.3678000000e-03 -2.0707000000e-03 -3.0471000000e-03 -3.0193000000e-03  5.5032000000e-03  1.9904000000e-03  4.6127000000e-03 -1.8079000000e-03  4.1469000000e-03 -3.9473000000e-03  1.3180000000e-03  2.2791500000e-02 -1.6731300000e-02  1.1033900000e-02 -9.1130000000e-04 -9.7945000000e-03 -7.2094000000e-03 -6.8634000000e-03  2.1764600000e-02  1.7656000000e-03  6.3421000000e-03  5.1608000000e-03  7.3582000000e-03 -1.6664000000e-03 -1.3190500000e-02 -5.1203000000e-03 -6.4500000000e-05  3.7064000000e-03

JOB 13
COORDS  -4.5395000000e-01  5.9435000000e-01 -2.9530800000e+00 -8.2057000000e-01 -1.6051000000e-01 -2.4926300000e+00 -2.6555000000e-01  2.6999000000e-01 -3.8337200000e+00  4.7141000000e+00 -8.4750000000e-02  4.0429000000e-01  5.6016200000e+00  8.5680000000e-02  8.8860000000e-02  4.4797100000e+00 -9.2826000000e-01  1.7270000000e-02  1.9446300000e+00  6.9071000000e-01  3.8957000000e-01  1.6627200000e+00  2.6510000000e-01  1.1992700000e+00  2.9007800000e+00  6.6140000000e-01  4.2336000000e-01  1.2966700000e+00 -1.7837300000e+00 -3.2583000000e-01  1.1333900000e+00 -2.1317300000e+00  5.5080000000e-01  1.5564300000e+00 -8.7431000000e-01 -1.7847000000e-01 -2.7252000000e-01  2.1130600000e+00 -7.3575000000e-01  6.5611000000e-01  2.0752200000e+00 -5.0671000000e-01 -3.6410000000e-01  1.5035100000e+00 -1.4680800000e+00  1.0389700000e+00 -4.2936000000e-01  2.9088200000e+00  1.2711400000e+00  1.2000000000e-01  3.6575100000e+00  1.3215000000e-01 -1.9506000000e-01  2.7112900000e+00 -3.6856500000e+00  1.7816800000e+00  1.4513700000e+00 -3.7558500000e+00  1.8885200000e+00  5.0275000000e-01 -4.4775900000e+00  2.1923500000e+00  1.7983800000e+00  4.0277700000e+00 -2.4894200000e+00 -9.6377000000e-01  4.4479700000e+00 -2.4433300000e+00 -1.8225800000e+00  3.1914300000e+00 -2.9247500000e+00 -1.1288600000e+00 -3.2094900000e+00 -1.1630000000e+00  7.4134000000e-01 -3.8900600000e+00 -1.7682300000e+00  1.0359100000e+00 -3.4695200000e+00 -3.1542000000e-01  1.1022000000e+00 -2.9401600000e+00  1.6348700000e+00 -1.0681500000e+00 -2.0556300000e+00  2.0003900000e+00 -1.0528200000e+00 -2.8080000000e+00  6.8971000000e-01 -1.1419900000e+00 -1.1746200000e+00  6.7895000000e-01  1.6280900000e+00 -2.0459200000e+00  1.0723900000e+00  1.5804700000e+00 -6.5704000000e-01  1.1634500000e+00  9.8497000000e-01 -1.3135600000e+00 -1.4920900000e+00 -1.4771400000e+00 -1.6105400000e+00 -1.5782300000e+00 -5.7126000000e-01 -3.5823000000e-01 -1.4895700000e+00 -1.4172800000e+00
ENERGY -9.171800877596e+02
EMD0 -3.450716820000e+02
FORCES  -5.0934000000e-03  1.5131000000e-03  7.5462000000e-03  1.5359600000e-02  8.0149000000e-03 -5.1701000000e-03 -2.3720000000e-03 -7.9874000000e-03  3.0004000000e-03 -1.2571000000e-03 -6.4414000000e-03  5.0800000000e-05 -9.0640000000e-04 -6.1912000000e-03 -2.6676000000e-03  8.3628000000e-03  1.4904100000e-02  2.6492000000e-03  4.0438000000e-03 -1.8544000000e-03  7.5754000000e-03  4.9274000000e-03 -4.1611000000e-03 -2.2037700000e-02 -1.5973100000e-02 -3.6112000000e-03  2.6208000000e-03  8.1487000000e-03  1.8952800000e-02  4.9531000000e-03  2.2915000000e-03  4.6303000000e-03 -2.1016000000e-03 -6.8950000000e-03 -1.5475100000e-02  6.8623000000e-03  3.0254000000e-03 -1.7342000000e-03 -9.8176000000e-03 -7.3430000000e-03 -3.1830000000e-04 -4.9524000000e-03 -9.8899000000e-03 -1.0780000000e-04  1.5160800000e-02 -8.5782000000e-03 -2.7280000000e-04  2.0961000000e-03 -5.2292000000e-03  1.0694000000e-03 -1.2394000000e-03  1.7947100000e-02 -2.4620000000e-03  7.0834000000e-03  1.4596700000e-02  3.3849000000e-03 -9.5581000000e-03 -1.1487300000e-02 -1.6735000000e-03  2.1983700000e-02 -1.9374000000e-03  6.2070000000e-04 -1.0563900000e-02 -8.3553000000e-03  4.0360000000e-04  6.7422000000e-03 -4.7014000000e-03 -2.1030000000e-04  1.4459000000e-03  1.0073700000e-02 -5.1658000000e-03 -8.9442000000e-03  5.0709000000e-03  6.6547000000e-03  2.6063000000e-03 -4.2840000000e-04  5.3474000000e-03  2.7443000000e-03 -3.4464000000e-03 -9.2929000000e-03 -3.6325000000e-03  9.1629000000e-03  4.5778000000e-03  4.5400000000e-04 -1.9437000000e-03 -1.2099800000e-02 -4.2031000000e-03  2.6087000000e-03  7.5424000000e-03  3.5924000000e-03 -1.2368500000e-02  6.2731000000e-03 -5.0793000000e-03  6.5592000000e-03 -4.6992000000e-03 -8.8413000000e-03 -2.6285000000e-03 -5.0418000000e-03  9.2386000000e-03 -3.1910000000e-04 -4.1808000000e-03  8.0187000000e-03  1.1824500000e-02 -3.6283000000e-03 -7.5867000000e-03 -1.2849800000e-02  1.2720000000e-02 -1.0029000000e-02

JOB 14
COORDS  -2.0311000000e-01  1.0232700000e+00 -2.1828000000e+00 -5.9906000000e-01  2.1346000000e-01 -2.5047700000e+00  6.5380000000e-01  1.0570100000e+00 -2.6080100000e+00  4.5847200000e+00  7.6560000000e-02 -1.2614800000e+00  5.2350400000e+00 -5.2742000000e-01 -1.6199800000e+00  4.1490100000e+00 -4.2238000000e-01 -5.7051000000e-01  3.1831100000e+00  2.5955700000e+00 -1.1004800000e+00  3.4693700000e+00  3.4438400000e+00 -1.4392000000e+00  3.9056100000e+00  2.0007100000e+00 -1.3013900000e+00  4.6374000000e-01 -2.8416900000e+00  1.5131000000e+00  1.1704100000e+00 -2.3436400000e+00  1.1022700000e+00  3.2903000000e-01 -2.4141500000e+00  2.3588500000e+00  1.4968200000e+00  9.2326000000e-01 -1.8491000000e-01  2.1775600000e+00  1.5307600000e+00 -4.7434000000e-01  8.1350000000e-01  9.9323000000e-01 -8.5156000000e-01  3.3540000000e-02 -1.5282700000e+00  3.8309500000e+00  3.8278000000e-01 -1.1611800000e+00  4.6430600000e+00 -3.4327000000e-01 -7.7811000000e-01  3.3710500000e+00 -4.8563400000e+00  1.3401200000e+00 -1.3043200000e+00 -4.1138100000e+00  1.8098800000e+00 -9.2457000000e-01 -4.8234500000e+00  1.5530800000e+00 -2.2369500000e+00  2.4668700000e+00 -1.6329700000e+00  9.9170000000e-02  2.0754100000e+00 -2.1003100000e+00 -6.3879000000e-01  2.1026000000e+00 -7.4950000000e-01  4.4200000000e-02 -3.6203900000e+00 -8.5922000000e-01 -2.5054000000e-01 -3.5522500000e+00 -4.8647000000e-01  6.2846000000e-01 -4.0219000000e+00 -1.6617000000e-01 -7.7465000000e-01 -2.2149600000e+00  1.8641700000e+00 -6.0232000000e-01 -1.5622400000e+00  1.5558100000e+00 -1.2308900000e+00 -1.9364800000e+00  1.4924600000e+00  2.3465000000e-01 -7.1272000000e-01  4.1201000000e-01  1.8687900000e+00 -4.5956000000e-01 -1.6508000000e-01  1.1483000000e+00 -2.1010000000e-02  1.0728500000e+00  1.9013500000e+00 -8.0196000000e-01 -1.4724700000e+00 -3.0787000000e-01 -1.7147600000e+00 -1.7431800000e+00 -4.0659000000e-01 -4.3493000000e-01 -2.0915900000e+00  3.2317000000e-01
ENERGY -9.171710857860e+02
EMD0 -3.402566030000e+02
FORCES  -2.2119000000e-03  5.0345000000e-03  1.6438900000e-02  4.0635000000e-03  8.1102000000e-03 -5.3087000000e-03 -2.0820000000e-03 -7.5320000000e-03  8.8745000000e-03 -2.9661000000e-03 -3.2214000000e-03  1.5868000000e-03 -2.6321000000e-03 -2.9209000000e-03  3.8387000000e-03  8.3691000000e-03  4.8701000000e-03 -5.6372000000e-03 -1.4149600000e-02 -9.7273000000e-03  1.1423500000e-02  7.4806000000e-03 -5.7179000000e-03 -3.5373000000e-03 -8.4275000000e-03  1.4228300000e-02  4.0040000000e-04  6.8984000000e-03  2.5396000000e-03  7.7367000000e-03 -2.0741600000e-02  3.8173000000e-03 -2.1648000000e-03  1.3225000000e-03  5.7371000000e-03 -1.5920300000e-02  2.1650000000e-04  1.6288800000e-02 -1.4544100000e-02 -3.1170000000e-03 -1.1894500000e-02 -6.4183000000e-03  1.2789800000e-02  5.4892000000e-03 -6.9721000000e-03 -1.1980000000e-03 -4.0708000000e-03 -8.3625000000e-03 -3.9507000000e-03  6.9620000000e-03 -2.8744000000e-03  9.8542000000e-03 -9.5067000000e-03  1.0946700000e-02  6.1360000000e-03  1.7261000000e-03  5.6613000000e-03 -1.2820200000e-02 -6.8210000000e-03 -4.8496000000e-03  3.7410000000e-03  9.7640000000e-04  2.2681000000e-03 -6.6835000000e-03  1.0651800000e-02  2.0448000000e-03 -2.9824000000e-03  3.6631000000e-03  5.2190000000e-03  9.4900000000e-03 -2.3402500000e-02  5.4000000000e-04 -8.8852000000e-03  1.2993600000e-02 -7.7466000000e-03 -7.3670000000e-04  2.0595000000e-03 -2.9313000000e-03  9.3727000000e-03 -4.9353000000e-03  9.1431000000e-03  7.0667000000e-03 -5.5721000000e-03 -5.5432000000e-03 -2.1047000000e-03 -4.6854000000e-03  3.6123000000e-03 -5.4130000000e-04  2.0678000000e-03 -8.0235000000e-03  1.2980000000e-03 -6.6140000000e-03 -1.0222400000e-02  4.3464000000e-03  9.2368000000e-03  1.4752900000e-02 -3.2087000000e-03 -4.0421000000e-03  1.5880000000e-03  5.6900000000e-05 -1.3419000000e-02  1.3028700000e-02  1.2767400000e-02 -9.2724000000e-03  3.7679000000e-03 -5.8308000000e-03  1.6903000000e-02 -1.1815900000e-02

JOB 15
COORDS  -1.7841000000e-01 -1.7553300000e+00 -1.4601300000e+00 -3.9922000000e-01 -2.6689100000e+00 -1.2789100000e+00 -9.4472000000e-01 -1.2609700000e+00 -1.1692500000e+00  4.4330200000e+00  3.9582000000e-01 -4.5587000000e-01  4.7892300000e+00 -3.7173000000e-01 -9.0332000000e-01  3.5362300000e+00  4.6925000000e-01 -7.8236000000e-01  4.7280700000e+00  3.1100400000e+00  4.9706000000e-01  4.4691700000e+00  2.2716600000e+00  1.1453000000e-01  5.3989600000e+00  2.8830600000e+00  1.1409600000e+00 -1.3121100000e+00 -2.3153400000e+00  2.5837400000e+00 -1.0222500000e+00 -2.7364200000e+00  3.3930000000e+00 -5.2125000000e-01 -1.9109700000e+00  2.2270200000e+00  2.2380300000e+00  4.3628000000e+00 -2.6109000000e-01  3.1560600000e+00  4.1680300000e+00 -7.2610000000e-02  2.2132500000e+00  5.3125400000e+00 -3.7772000000e-01  8.4399000000e-01 -1.2360200000e+00  1.3041500000e+00  1.0914600000e+00 -3.2471000000e-01  1.1476100000e+00  6.5052000000e-01 -1.5850100000e+00  4.3409000000e-01 -2.5540000000e+00 -6.5358000000e-01 -6.8845000000e-01 -2.4908000000e+00  1.7658000000e-01 -2.1614000000e-01 -3.2391900000e+00 -5.0710000000e-01 -1.3405900000e+00  2.2722600000e+00 -7.0365000000e-01 -1.9948000000e+00  2.2135500000e+00 -5.9998000000e-01 -2.9445500000e+00  1.4386700000e+00 -1.1022900000e+00 -1.7449200000e+00 -5.4598300000e+00 -2.6073100000e+00 -8.5837000000e-01 -4.7238000000e+00 -3.0301700000e+00 -4.1600000000e-01 -6.2268900000e+00 -2.8635400000e+00 -3.4632000000e-01 -2.2713900000e+00  1.6232600000e+00  8.9536000000e-01 -1.4659900000e+00  2.1357200000e+00  8.2491000000e-01 -2.8746600000e+00  2.1893300000e+00  1.3768700000e+00  2.4473000000e-01  2.6143900000e+00 -2.0772000000e-01  2.4923000000e-01  2.1145700000e+00 -1.0240400000e+00  9.8910000000e-01  3.2108700000e+00 -2.8742000000e-01 -3.0457200000e+00 -2.8990500000e+00  6.8920000000e-01 -2.8761300000e+00 -2.1057200000e+00  1.8116000000e-01 -2.4230700000e+00 -2.8569100000e+00  1.4150000000e+00
ENERGY -9.171780275865e+02
EMD0 -3.327717120000e+02
FORCES  -1.3716800000e-02  9.2485000000e-03 -6.8619000000e-03 -2.5430000000e-04  5.4308000000e-03  4.1169000000e-03  1.8078000000e-02 -1.1463600000e-02  6.6740000000e-04 -9.0860000000e-04 -7.7509000000e-03 -3.7260000000e-03 -1.3535000000e-03  1.5940000000e-04 -6.2740000000e-04  8.0618000000e-03  8.4085000000e-03  5.7133000000e-03  3.5613000000e-03 -5.9731000000e-03 -2.2060000000e-04 -4.4054000000e-03  1.0499200000e-02  5.1650000000e-03 -9.7700000000e-05 -3.8234000000e-03 -1.5637000000e-03 -8.5000000000e-04  6.7835000000e-03 -1.2805800000e-02  5.2108000000e-03  2.7533000000e-03 -2.1051000000e-03 -9.9944000000e-03 -1.2292300000e-02  7.5052000000e-03 -2.1735000000e-03 -9.7777000000e-03  4.7613000000e-03 -1.1622000000e-02  1.0243300000e-02 -8.1069000000e-03  6.9453000000e-03 -9.7620000000e-04  1.3167000000e-03 -7.8520000000e-04 -5.9040000000e-04 -5.7170000000e-04 -1.3960000000e-04 -4.4473000000e-03 -5.3041000000e-03 -3.0680000000e-04  4.4250000000e-03  8.6288000000e-03 -3.2880000000e-03 -2.3621000000e-03  1.5293900000e-02 -2.1016000000e-03 -1.3636600000e-02 -1.8774400000e-02  3.7781000000e-03  6.3631000000e-03  3.7218000000e-03 -1.0351900000e-02 -9.4085000000e-03  3.1420000000e-03 -3.2897000000e-03 -1.2943000000e-03  1.9239000000e-03  1.1698800000e-02  7.0700000000e-03 -4.5402000000e-03  5.2186000000e-03 -2.4900000000e-04  4.2670000000e-03 -1.0781000000e-02  1.6734000000e-03 -7.1575000000e-03  2.8683000000e-03 -2.3188000000e-03  8.2330000000e-04  4.6343000000e-03 -2.2790000000e-03 -3.3920000000e-04 -1.5541800000e-02 -1.3409000000e-03  7.8388000000e-03  5.9325000000e-03  5.0822000000e-03 -6.2230000000e-04  1.2755800000e-02  1.6852300000e-02  2.6303000000e-03  4.2546000000e-03  2.6928000000e-03  1.3230000000e-03 -9.9231000000e-03 -1.5005200000e-02 -7.6986000000e-03  8.2328000000e-03  1.3501700000e-02  1.4351500000e-02  2.5370000000e-03 -8.4446000000e-03  9.8460000000e-04 -1.8832000000e-03  2.2468000000e-03 -1.3149000000e-02

JOB 16
COORDS   2.6200000000e-03 -1.9418700000e+00 -1.9474900000e+00 -6.8570000000e-02 -2.3668800000e+00 -2.8022000000e+00 -8.9748000000e-01 -1.7095500000e+00 -1.7192800000e+00  4.0613300000e+00  2.0098000000e-01 -1.2909400000e+00  3.1660400000e+00  5.3104000000e-01 -1.3667200000e+00  4.0493400000e+00 -6.3466000000e-01 -1.7576300000e+00  3.4371800000e+00  2.1888400000e+00  9.5394000000e-01  4.1868900000e+00  2.7819500000e+00  1.0027000000e+00  3.7746600000e+00  1.4115500000e+00  5.0878000000e-01  7.1443000000e-01 -7.8774000000e-01  1.8598100000e+00  1.2094700000e+00 -8.8447000000e-01  2.6733200000e+00  1.3146900000e+00 -3.3720000000e-01  1.2657300000e+00  9.3701000000e-01  3.2093700000e+00  1.6717200000e+00  1.8317100000e+00  2.9228200000e+00  1.4883100000e+00  1.0234900000e+00  3.8042400000e+00  2.4166300000e+00  1.3431800000e+00  2.7306000000e-01 -8.8838000000e-01  7.3296000000e-01  1.0090600000e+00 -8.4194000000e-01  7.9344000000e-01 -4.8153000000e-01 -1.0995900000e+00 -2.4759300000e+00 -6.7302000000e-01 -7.3419000000e-01 -2.5130500000e+00  2.8274000000e-01 -7.7129000000e-01 -3.3803500000e+00 -9.4226000000e-01 -5.7365000000e-01  2.7199100000e+00 -2.3077400000e+00 -2.2499300000e+00  2.6195600000e+00 -2.4213400000e+00 -1.3048000000e+00  1.8341200000e+00 -2.1288300000e+00 -2.5655300000e+00 -5.0736000000e+00 -1.6970000000e+00  2.6452000000e-01 -4.7937200000e+00 -2.4806500000e+00  7.3760000000e-01 -5.9135400000e+00 -1.9392500000e+00 -1.2542000000e-01 -2.4263200000e+00  2.1646000000e+00 -5.7937000000e-01 -1.9649500000e+00  1.9138400000e+00  2.2094000000e-01 -3.1552200000e+00  2.7061100000e+00 -2.7653000000e-01 -1.0405600000e+00  1.5961200000e+00  1.5083500000e+00 -5.7751000000e-01  8.7414000000e-01  1.9332700000e+00 -3.9913000000e-01  2.3058100000e+00  1.4746000000e+00 -2.1500900000e+00 -2.2641800000e+00  1.3741000000e+00 -2.2645700000e+00 -1.6906400000e+00  6.1636000000e-01 -1.3751600000e+00 -1.9216100000e+00  1.8194700000e+00
ENERGY -9.171661650704e+02
EMD0 -3.154638790000e+02
FORCES   2.2798000000e-03  2.3602000000e-03  5.0223000000e-03  7.8490000000e-04  2.2671000000e-03  2.9149000000e-03  1.3616700000e-02 -5.6565000000e-03 -1.0952600000e-02 -9.8244000000e-03 -7.9153000000e-03 -6.6408000000e-03  1.0404200000e-02  2.1705000000e-03  1.8357000000e-03  5.9980000000e-04  5.4678000000e-03  2.7751000000e-03 -2.5793000000e-03 -6.5049000000e-03 -6.2056000000e-03 -2.5520000000e-04 -3.0517000000e-03 -2.5950000000e-04  1.6420000000e-03  1.1027600000e-02  7.9443000000e-03  1.1069000000e-03 -3.8937000000e-03 -9.0721000000e-03  1.3709000000e-03  3.6595000000e-03 -4.5478000000e-03 -8.1980000000e-04 -2.3710000000e-03  1.4715900000e-02 -4.9916000000e-03 -1.4903800000e-02 -9.1304000000e-03 -1.1611100000e-02  1.1755400000e-02  1.1958900000e-02  6.6547000000e-03 -2.2992000000e-03 -1.3599000000e-03  2.0556000000e-03 -9.6269000000e-03 -1.0371300000e-02  3.9800000000e-04 -6.5234000000e-03 -1.2036000000e-03 -6.7270000000e-04  1.1649300000e-02  8.6088000000e-03 -3.9781000000e-03  9.4241000000e-03  1.0568200000e-02 -2.8892000000e-03 -1.6974100000e-02  1.9610000000e-03  1.4920600000e-02  4.5903000000e-03  2.8181000000e-03 -8.7465000000e-03  5.6400000000e-05  1.2444000000e-03  1.9252000000e-03  2.5019000000e-03 -2.6201000000e-03 -3.6477000000e-03 -3.8822000000e-03 -2.1167000000e-03 -1.8870000000e-04  3.3627000000e-03  4.0416000000e-03 -8.3592000000e-03 -7.1200000000e-05 -7.0382000000e-03  2.4603000000e-03 -4.7467000000e-03  3.8373000000e-03  1.3555200000e-02 -8.3370000000e-04  1.5483400000e-02 -1.3168800000e-02  5.6895000000e-03 -1.6509700000e-02  3.0975000000e-03 -7.2060000000e-04  4.9490000000e-03  9.7501000000e-03  7.5986000000e-03 -1.9701000000e-03  2.3392000000e-03  1.2088700000e-02  1.2215000000e-03 -9.7087000000e-03 -1.0457500000e-02 -2.9324000000e-03  2.8750000000e-03  1.0014400000e-02 -1.0554400000e-02 -6.2579000000e-03 -5.9150000000e-03  2.6590000000e-03 -4.1377000000e-03  6.6350000000e-04 -1.0741000000e-03

JOB 17
COORDS  -1.8020400000e+00 -2.0249300000e+00 -3.5002000000e+00 -1.8582000000e+00 -1.6392800000e+00 -4.3744700000e+00 -1.0136900000e+00 -1.6393700000e+00 -3.1180100000e+00  1.7326200000e+00 -2.7606700000e+00  2.9283400000e+00  1.6386200000e+00 -3.3200500000e+00  3.6993700000e+00  1.5116000000e+00 -3.3294100000e+00  2.1908400000e+00  3.2071100000e+00  4.2663100000e+00 -7.6893000000e-01  3.6063800000e+00  3.8791700000e+00 -1.5480000000e+00  2.6874800000e+00  3.5581600000e+00 -3.8848000000e-01  1.2949700000e+00 -4.5540000000e-02  2.4784100000e+00  1.7288100000e+00  2.0886000000e-01  3.2928400000e+00  1.2559900000e+00 -1.0012200000e+00  2.5156400000e+00  2.1249800000e+00  5.0512400000e+00  2.4083000000e+00  2.3928200000e+00  5.5400500000e+00  1.6301200000e+00  2.4620400000e+00  5.5650100000e+00  3.1422300000e+00 -2.6753400000e+00  2.3563800000e+00 -1.8955300000e+00 -1.8289000000e+00  2.0320600000e+00 -1.5879600000e+00 -2.6932800000e+00  3.2743900000e+00 -1.6250300000e+00 -4.4377000000e-01 -1.0940800000e+00 -1.1626900000e+00 -5.6942000000e-01 -1.6304000000e-01 -9.7937000000e-01 -1.2499900000e+00 -1.5097900000e+00 -8.5702000000e-01  6.2062000000e-01 -3.3656400000e+00  6.1853000000e-01  6.4858000000e-01 -2.4408000000e+00  3.7334000000e-01 -2.8813000000e-01 -3.6262900000e+00  4.6867000000e-01 -2.4660900000e+00 -2.4224600000e+00  1.6929000000e-01 -3.0489000000e+00 -1.7079300000e+00 -8.7640000000e-02 -2.4808900000e+00 -3.0237700000e+00 -5.7532000000e-01 -6.7293000000e-01  1.7300900000e+00 -1.9112000000e-01  1.2989000000e-01  2.0044000000e+00  2.5211000000e-01 -1.2998500000e+00  1.5830800000e+00  5.1712000000e-01  1.8151200000e+00  2.3780100000e+00  1.0684400000e+00  1.8927400000e+00  1.5326900000e+00  1.5107600000e+00  2.0435800000e+00  3.0216500000e+00  1.7390900000e+00 -2.7177000000e+00 -4.1250400000e+00 -2.2000700000e+00 -3.5764800000e+00 -4.3738900000e+00 -2.5418400000e+00 -2.3557800000e+00 -3.5385600000e+00 -2.8643700000e+00
ENERGY -9.171596407667e+02
EMD0 -2.925531580000e+02
FORCES  -1.3232000000e-03 -4.0044000000e-03  1.2917600000e-02  5.6471000000e-03  1.8115000000e-03  2.9797000000e-03 -6.9596000000e-03 -2.3807000000e-03 -1.5792100000e-02 -5.1085000000e-03  7.1260000000e-04 -1.4502500000e-02 -1.1416000000e-03 -4.8759000000e-03 -5.5653000000e-03  7.2510000000e-03  7.5440000000e-04  1.7186900000e-02 -6.6630000000e-04 -1.5241000000e-03  2.7068000000e-03 -3.0673000000e-03 -3.4184000000e-03  2.2310000000e-03  5.1799000000e-03  6.6669000000e-03 -8.3901000000e-03 -1.7996000000e-03 -1.8674400000e-02 -5.2020000000e-04  4.9710000000e-04  1.5782000000e-03 -3.6376000000e-03 -1.9759000000e-03  1.5052500000e-02  2.0910000000e-04 -1.8748000000e-03 -2.9600000000e-05 -1.6290000000e-04  4.0300000000e-05  2.2615000000e-03  8.5026000000e-03  7.3050000000e-04  2.8055000000e-03 -5.0188000000e-03  8.1532000000e-03 -1.2905000000e-03  4.9993000000e-03 -7.3879000000e-03  1.2140000000e-03 -2.7907000000e-03  1.6890000000e-03 -1.7391000000e-03  4.7180000000e-04 -5.9868000000e-03  1.2077000000e-03  9.8994000000e-03 -7.6421000000e-03 -1.2864700000e-02 -2.5428000000e-03  1.8341000000e-03  6.9133000000e-03 -8.3642000000e-03 -5.5130000000e-04  4.4675000000e-03  4.7400000000e-04 -1.1050000000e-04 -6.9285000000e-03  8.1230000000e-03  1.9348000000e-03  2.2422000000e-03 -2.0517000000e-03 -4.4676000000e-03 -8.4515000000e-03  5.5880000000e-04  7.6527000000e-03 -1.2423000000e-03 -5.1145000000e-03  8.7015000000e-03  1.8522000000e-02  1.0445200000e-02  1.0279300000e-02  8.8828000000e-03  2.3830000000e-04 -1.8378800000e-02 -6.2164000000e-03 -2.0420000000e-03  3.4197000000e-03  2.5270000000e-04 -1.5542000000e-03  4.9200000000e-04 -3.8321000000e-03  3.7334000000e-03  2.5388000000e-03  1.7779000000e-02  2.9199000000e-03  2.5526000000e-03 -1.5154500000e-02 -2.9324000000e-03  6.4905000000e-03  6.7625000000e-03 -9.0377000000e-03  2.7461000000e-03  3.5461000000e-03 -4.9715000000e-03 -9.3884000000e-03 -1.0806100000e-02  6.3944000000e-03

JOB 18
COORDS  -1.6551600000e+00  5.8350000000e-02 -2.7997400000e+00 -8.4537000000e-01 -1.2767000000e-01 -2.3244700000e+00 -2.3487800000e+00 -2.8089000000e-01 -2.2340300000e+00 -4.1200000000e-02 -1.1545100000e+00  2.7994600000e+00 -5.2897000000e-01 -8.0432000000e-01  3.5449100000e+00 -6.5555000000e-01 -1.7486600000e+00  2.3684300000e+00  1.3743300000e+00  4.2204000000e+00 -5.1529000000e-01  5.0376000000e-01  3.9922300000e+00 -8.4129000000e-01  1.6918700000e+00  3.4195500000e+00 -9.8100000000e-02  3.4679600000e+00 -6.9379000000e-01  9.0388000000e-01  4.1597200000e+00 -7.1252000000e-01  2.4256000000e-01  2.6580000000e+00 -8.1042000000e-01  4.0729000000e-01  3.3167100000e+00  5.3359500000e+00  1.2558700000e+00  3.5709900000e+00  6.2240000000e+00  1.0049800000e+00  2.5176300000e+00  5.1652400000e+00  7.5731000000e-01 -3.5048900000e+00 -9.2951000000e-01 -1.2803000000e+00 -3.6175400000e+00 -1.8721600000e+00 -1.4025600000e+00 -4.3834700000e+00 -5.6635000000e-01 -1.3919000000e+00  5.8412000000e-01 -3.6612000000e-01 -1.5646800000e+00  4.9834000000e-01  1.8162000000e-01 -7.8439000000e-01  1.0908900000e+00  1.6674000000e-01 -2.1774300000e+00 -1.7633900000e+00 -2.8820400000e+00  1.6134500000e+00 -1.6746100000e+00 -3.6770800000e+00  1.0878500000e+00 -2.4468200000e+00 -2.3776600000e+00  1.1721200000e+00 -3.8032500000e+00 -3.4586800000e+00 -1.1355800000e+00 -2.8692400000e+00 -3.6479100000e+00 -1.0459400000e+00 -4.2344900000e+00 -4.2985800000e+00 -9.7800000000e-01  4.4665000000e-01  6.1156000000e-01  9.0002000000e-01  1.0124400000e+00  1.3388800000e+00  1.1590900000e+00  4.5132000000e-01  2.3170000000e-02  1.6550100000e+00  2.6327700000e+00  2.4066600000e+00  1.2773800000e+00  3.1478900000e+00  1.7257900000e+00  1.7101600000e+00  3.0703400000e+00  3.2247800000e+00  1.5128800000e+00 -9.9934000000e-01 -3.0963400000e+00 -1.4349100000e+00 -7.1548000000e-01 -2.2045600000e+00 -1.2339100000e+00 -9.1712000000e-01 -3.1657200000e+00 -2.3860500000e+00
ENERGY -9.171517528703e+02
EMD0 -2.970420710000e+02
FORCES  -8.6320000000e-04 -5.2930000000e-03  1.6799500000e-02 -3.9834000000e-03 -5.2930000000e-04  8.9750000000e-04  1.0991000000e-02 -7.3600000000e-04 -1.3662000000e-03 -2.9630000000e-03 -8.3226000000e-03 -1.1058700000e-02 -3.1707000000e-03 -2.6286000000e-03 -3.4704000000e-03  2.2574000000e-03  1.4954700000e-02  8.9395000000e-03  2.1043000000e-03  1.6080000000e-04 -2.7940000000e-04  3.6516000000e-03 -5.9708000000e-03  1.7461000000e-03 -6.1360000000e-03  9.6989000000e-03 -1.6174000000e-03 -2.1767000000e-03 -4.1575000000e-03  2.0238000000e-03 -4.8512000000e-03  2.1040000000e-04 -9.8840000000e-04  9.0949000000e-03  1.1300000000e-05 -2.0517000000e-03 -7.8900000000e-04  1.0167000000e-03 -3.1299000000e-03 -5.5070000000e-03  4.4800000000e-05 -2.3544000000e-03  1.0470000000e-02 -1.6960000000e-04  7.6776000000e-03  8.5852000000e-03 -9.9576000000e-03 -7.5858000000e-03  4.5209000000e-03  6.8669000000e-03  1.4550000000e-04 -2.8540000000e-04 -5.4273000000e-03 -1.1207000000e-03 -1.4905200000e-02  4.4956000000e-03  1.0145300000e-02  2.9345000000e-03 -1.6815000000e-03 -2.6190900000e-02 -3.5208000000e-03  3.7973000000e-03  6.0377000000e-03  7.2491000000e-03 -3.2870000000e-04  2.6529000000e-03 -8.0925000000e-03  2.1809000000e-03 -9.7450000000e-04  4.4887000000e-03 -5.3029000000e-03  1.9702000000e-03  9.5770000000e-04  2.0936800000e-02 -6.9420000000e-03 -1.7593900000e-02 -4.5861000000e-03  5.6190000000e-03  1.0223200000e-02 -2.2244000000e-03  2.3698000000e-03 -5.3443000000e-03 -1.4378400000e-02  1.1456800000e-02 -4.3131000000e-03 -9.7758000000e-03  2.8201000000e-03  8.9256000000e-03  1.7095300000e-02 -9.9727000000e-03 -4.0510000000e-04 -3.1670000000e-04 -3.2234000000e-03 -8.3190000000e-04  1.1929300000e-02  4.6508000000e-03 -2.7513000000e-03 -1.1738700000e-02 -2.0742000000e-03  7.8323000000e-03  5.6113000000e-03 -1.4661000000e-03 -5.2044000000e-03 -6.4329000000e-03 -3.0619000000e-03 -5.9820000000e-04  9.4740000000e-04  2.9767000000e-03

JOB 19
COORDS  -7.7244000000e-01 -1.3427200000e+00 -1.7423600000e+00 -4.8590000000e-02 -7.4340000000e-01 -1.9242500000e+00 -1.2236900000e+00 -9.5364000000e-01 -9.9321000000e-01 -2.3418100000e+00  1.6053500000e+00  2.2363200000e+00 -2.6975600000e+00  8.9251000000e-01  1.7057300000e+00 -2.4436200000e+00  1.3059300000e+00  3.1397700000e+00  1.1542300000e+00  3.5073300000e+00 -3.3359000000e-01  9.3469000000e-01  2.8818200000e+00 -1.0240800000e+00  3.0765000000e-01  3.8247300000e+00 -1.9280000000e-02  5.1028700000e+00  1.8839400000e+00 -1.6325700000e+00  6.0524300000e+00  1.7832300000e+00 -1.6991600000e+00  4.8875500000e+00  2.5597400000e+00 -2.2753500000e+00  3.7551200000e+00  2.5085500000e+00  8.6901000000e-01  4.0010700000e+00  2.0957100000e+00  4.1180000000e-02  3.0526900000e+00  3.1153100000e+00  6.3520000000e-01 -3.9010000000e+00 -3.4612400000e+00  8.0660000000e-01 -4.3047000000e+00 -3.4825600000e+00 -6.1040000000e-02 -3.6992900000e+00 -4.3767500000e+00  1.0000000000e+00  1.4676700000e+00  4.4799000000e-01 -1.3758900000e+00  1.1590400000e+00  2.9578000000e-01 -4.8269000000e-01  2.3795800000e+00  7.1963000000e-01 -1.2716800000e+00 -2.5077900000e+00 -8.4129000000e-01  1.1149300000e+00 -1.7359600000e+00 -1.3700600000e+00  1.3172000000e+00 -3.2180000000e+00 -1.4770200000e+00  1.0273400000e+00 -3.1560900000e+00 -2.7681200000e+00 -2.0440800000e+00 -2.4853600000e+00 -3.3975800000e+00 -1.7792500000e+00 -2.6683500000e+00 -1.9715600000e+00 -2.2534800000e+00  4.5260000000e-02  4.6078000000e-01  1.0622200000e+00  6.6726000000e-01  1.0218700000e+00  1.5253900000e+00 -7.0685000000e-01  1.0272800000e+00  8.9004000000e-01  1.9684100000e+00  1.9034000000e+00  2.7255500000e+00  1.7734700000e+00  2.8120300000e+00  2.9549200000e+00  2.6585500000e+00  1.9653500000e+00  2.0651800000e+00 -9.1701000000e-01 -3.9708400000e+00 -1.5984800000e+00 -7.2971000000e-01 -3.0431700000e+00 -1.7419300000e+00 -2.7054000000e-01 -4.4316800000e+00 -2.1332100000e+00
ENERGY -9.171527727554e+02
EMD0 -2.834875190000e+02
FORCES   3.9217000000e-03 -8.2418000000e-03  7.1700000000e-04 -1.1832500000e-02 -1.8123000000e-03  5.9443000000e-03  5.1330000000e-03  8.8640000000e-04 -9.2009000000e-03  1.8976000000e-03 -1.3612800000e-02 -1.8427000000e-03  1.2728000000e-03  1.0861100000e-02  3.5500000000e-03 -3.6726000000e-03 -1.0814000000e-03 -1.4357000000e-03 -3.8600000000e-04 -3.1240000000e-04 -3.8400000000e-04 -3.3503000000e-03  7.8754000000e-03  3.8171000000e-03  2.5750000000e-04 -3.8770000000e-03 -5.1126000000e-03  3.1841000000e-03 -1.8775000000e-03  3.5432000000e-03 -2.4256000000e-03  4.5256000000e-03 -5.5095000000e-03  4.2379000000e-03 -2.1361000000e-03  1.6286000000e-03  5.1720000000e-03 -8.4840000000e-04  2.0920000000e-04 -1.3056500000e-02  3.4088000000e-03  4.2478000000e-03  5.6635000000e-03 -9.9734000000e-03  6.2922000000e-03  3.2212000000e-03  1.2573000000e-03 -2.4734000000e-03 -1.8228000000e-03 -7.7327000000e-03  9.0592000000e-03 -3.9636000000e-03 -7.1900000000e-05 -5.1630000000e-03 -3.6445000000e-03 -6.2839000000e-03  6.7655000000e-03  1.3191700000e-02  1.3749000000e-03 -1.6332800000e-02 -5.1271000000e-03  2.9792000000e-03  7.3991000000e-03 -1.3500000000e-05  1.3287000000e-03  6.9036000000e-03 -6.0849000000e-03 -3.7897000000e-03 -3.9636000000e-03  6.7869000000e-03  8.4619000000e-03  2.5056000000e-03  2.0742200000e-02 -7.2399000000e-03 -8.3140000000e-04 -4.7340000000e-04  1.0897500000e-02  2.0712000000e-03  1.8519000000e-03 -2.1692000000e-03  3.4486000000e-03 -5.2154000000e-03  5.8061000000e-03  2.0033600000e-02 -7.6295000000e-03 -4.5573000000e-03 -1.9388100000e-02  6.7296000000e-03  4.0340000000e-04 -7.0949000000e-03  1.6921600000e-02  5.9220000000e-04 -2.5195000000e-03  3.7006000000e-03  1.3470000000e-04 -4.7764000000e-03 -1.7700300000e-02  6.3263000000e-03  3.3632000000e-03 -1.1832900000e-02  1.7603400000e-02 -3.6470000000e-04 -8.6162000000e-03 -1.6417600000e-02 -4.6447000000e-03  2.9614000000e-03  7.3124000000e-03 -4.6120000000e-04

JOB 20
COORDS  -3.4262000000e-01 -1.1159200000e+00 -4.5289000000e-01  5.7461000000e-01 -8.4789000000e-01 -3.9742000000e-01 -7.8466000000e-01 -5.9972000000e-01  2.2118000000e-01 -1.3168700000e+00  6.5357000000e-01  1.3005200000e+00 -5.7678000000e-01  2.7604000000e-01  1.7758800000e+00 -2.0861800000e+00  2.2219000000e-01  1.6724300000e+00  2.1478400000e+00  4.6049300000e+00 -8.2114000000e-01  1.5416500000e+00  3.9730300000e+00 -4.3453000000e-01  1.6443000000e+00  5.4170300000e+00 -8.7749000000e-01  5.5914700000e+00  1.4287400000e+00  5.7642000000e-01  5.3569100000e+00  6.5515000000e-01  1.0890300000e+00  6.3339900000e+00  1.1466200000e+00  4.2290000000e-02  4.0235700000e+00  2.5796300000e+00 -1.2588300000e+00  4.6868100000e+00  2.2980800000e+00 -6.2869000000e-01  3.5421200000e+00  3.2726400000e+00 -8.0698000000e-01 -3.4572200000e+00 -4.3595500000e+00  1.2228200000e+00 -3.0785900000e+00 -4.8516700000e+00  4.9433000000e-01 -4.4031800000e+00 -4.4463200000e+00  1.1051100000e+00  1.7508300000e+00  1.3628300000e+00 -2.3604000000e-01  9.6069000000e-01  1.6391600000e+00 -7.0033000000e-01  2.4646800000e+00  1.8117700000e+00 -6.8893000000e-01 -3.4667600000e+00 -1.6783600000e+00  1.1812100000e+00 -3.2320400000e+00 -2.5840900000e+00  1.3832000000e+00 -3.2110100000e+00 -1.5625200000e+00  2.6612000000e-01 -2.4993200000e+00 -4.6061000000e+00 -1.5730600000e+00 -2.8452800000e+00 -3.7227300000e+00 -1.4458100000e+00 -1.5923200000e+00 -4.4713600000e+00 -1.8477200000e+00 -8.9169000000e-01  3.1329000000e+00 -5.7833000000e-01 -1.5418500000e+00  3.7842300000e+00 -3.1508000000e-01 -1.3457500000e+00  2.2941700000e+00 -4.9719000000e-01  1.4701500000e+00 -2.9654000000e-01  2.1573900000e+00  1.6117100000e+00  1.6565000000e-01  1.3312000000e+00  2.3511000000e+00 -4.7632000000e-01  2.4857900000e+00 -3.0517900000e+00 -1.7645000000e+00 -1.5102800000e+00 -2.1738900000e+00 -1.4177700000e+00 -1.3511900000e+00 -3.5104500000e+00 -1.0574700000e+00 -1.9641200000e+00
ENERGY -9.171387375998e+02
EMD0 -2.843013360000e+02
FORCES   1.9969000000e-03  8.1784000000e-03  1.2182500000e-02 -4.3406000000e-03  2.4749000000e-03  6.4557000000e-03  6.7195000000e-03 -6.0883000000e-03 -4.0691000000e-03  2.3325000000e-03  8.6600000000e-04  3.0925000000e-03 -1.0168200000e-02 -6.1845000000e-03 -1.4076400000e-02  1.1633900000e-02  4.6448000000e-03 -1.9095000000e-03  3.4517000000e-03  1.7024000000e-03 -4.5346000000e-03  7.9025000000e-03  4.1555000000e-03 -2.2332000000e-03 -4.1467000000e-03 -3.5653000000e-03  2.6530000000e-03 -8.8121000000e-03  6.0993000000e-03 -2.1437000000e-03  5.6006000000e-03 -1.0260000000e-03 -2.8602000000e-03 -5.5077000000e-03 -2.0043000000e-03  1.8366000000e-03  1.0620700000e-02  8.1470000000e-04  1.1630000000e-03 -2.6653000000e-03  7.3109000000e-03 -4.7878000000e-03 -3.7816000000e-03 -1.9425500000e-02  7.7892000000e-03  4.4084000000e-03  5.0832000000e-03 -2.6373000000e-03 -9.8798000000e-03  1.9481000000e-03  7.8264000000e-03  3.5468000000e-03 -1.6522000000e-03 -3.3414000000e-03  1.5828600000e-02  6.6494000000e-03 -5.7913000000e-03  7.1028000000e-03  3.6900000000e-05 -2.5186000000e-03 -2.1322200000e-02  5.3906000000e-03  8.0528000000e-03 -5.2759000000e-03 -2.2027800000e-02 -1.0566700000e-02  5.8610000000e-04  1.1104500000e-02 -3.3702000000e-03  8.2562000000e-03  3.3372000000e-03  4.6062000000e-03 -2.1098000000e-03  4.9321000000e-03 -6.1134000000e-03  6.9063000000e-03 -9.7570000000e-03  4.0940000000e-03 -2.3437000000e-03  3.2112000000e-03  6.5190000000e-04 -2.3170000000e-04 -1.8987000000e-03  4.4980000000e-03 -1.6632000000e-03 -3.8702000000e-03 -1.2993000000e-03 -1.8053000000e-03  7.1146000000e-03 -6.1364000000e-03  1.0755000000e-03  3.0394000000e-03  1.2200000000e-03 -2.4394000000e-03 -1.2598400000e-02  1.0267600000e-02  2.5611000000e-03  2.2826000000e-03 -6.4977000000e-03 -1.0330000000e-03 -6.2464000000e-03  1.7458000000e-03 -2.0321200000e-02  2.3449000000e-03  3.3005000000e-03  7.3171000000e-03  3.6230000000e-03  3.4509000000e-03

JOB 21
COORDS  -1.4940100000e+00  1.3979000000e-01 -1.5520000000e+00 -6.7981000000e-01  5.7751000000e-01 -1.8004300000e+00 -1.2913600000e+00 -2.9050000000e-01 -7.2133000000e-01 -7.4715000000e-01  5.9451000000e-01  1.5570700000e+00 -6.4450000000e-02 -4.9400000000e-02  1.7455900000e+00 -1.5423800000e+00  2.1868000000e-01  1.9346800000e+00  1.6609700000e+00  3.5982200000e+00  1.5757800000e+00  9.7179000000e-01  3.0213200000e+00  1.2464600000e+00  1.8708200000e+00  3.2508500000e+00  2.4426900000e+00  3.7887100000e+00  3.4311000000e+00 -1.3487800000e+00  2.9762800000e+00  3.8721500000e+00 -1.1004600000e+00  4.4812400000e+00  3.9732800000e+00 -9.7106000000e-01  4.3006300000e+00  6.2688000000e-01 -3.6995000000e-01  5.0233100000e+00  7.3110000000e-02 -6.6542000000e-01  4.4820500000e+00  1.4840800000e+00 -7.5534000000e-01 -1.8230200000e+00 -2.6015200000e+00  7.8866000000e-01 -1.9767100000e+00 -3.0281900000e+00 -5.4300000000e-02 -8.7563000000e-01 -2.4687900000e+00  8.2126000000e-01  1.6754400000e+00  1.7392000000e-01 -2.0529000000e-01  1.3573800000e+00  9.9841000000e-01 -5.7310000000e-01  2.6239200000e+00  2.8802000000e-01 -1.4519000000e-01 -3.0529000000e+00 -4.2474000000e-01  2.2875100000e+00 -2.9336000000e+00 -1.3473600000e+00  2.0621800000e+00 -3.9852900000e+00 -3.4553000000e-01  2.4890000000e+00 -3.0178600000e+00 -3.8842700000e+00 -1.3580000000e+00 -2.6047800000e+00 -3.3942700000e+00 -2.0689900000e+00 -3.8313200000e+00 -3.4115800000e+00 -1.1817500000e+00 -9.9160000000e-02  2.3851600000e+00 -3.4229000000e-01 -9.4530000000e-01  2.5932200000e+00 -7.3850000000e-01 -2.6700000000e-01  1.6049400000e+00  1.8622000000e-01  6.9123000000e-01 -1.8969800000e+00  1.9475400000e+00  1.2182500000e+00 -1.7455700000e+00  1.1629700000e+00  1.2705800000e+00 -2.3808900000e+00  2.5361100000e+00 -1.9770900000e+00 -2.1590000000e+00 -2.9496800000e+00 -1.8562700000e+00 -1.3578000000e+00 -2.4400400000e+00 -1.9130300000e+00 -1.8752900000e+00 -3.8616200000e+00
ENERGY -9.171615828345e+02
EMD0 -2.994081260000e+02
FORCES   3.8940000000e-04  4.5511000000e-03  5.5357000000e-03 -3.0399000000e-03 -1.5421000000e-03  3.2047000000e-03  2.9918000000e-03 -3.6680000000e-04 -1.3388000000e-02 -1.5409800000e-02 -4.5000000000e-04  8.0449000000e-03 -8.4335000000e-03  2.3764000000e-03 -2.1098000000e-03  1.6417800000e-02 -6.0435000000e-03 -1.8801000000e-03 -4.9724000000e-03  5.9280000000e-04 -4.9390000000e-03  7.3337000000e-03 -1.9495000000e-03  1.0490800000e-02 -3.3023000000e-03 -2.0339000000e-03 -2.6350000000e-03 -7.2813000000e-03  1.0751000000e-03 -1.5050000000e-04  7.3289000000e-03  4.6926000000e-03 -3.3133000000e-03 -2.5663000000e-03 -1.8549000000e-03 -2.8760000000e-04 -1.3837800000e-02  2.6778000000e-03  5.4690000000e-04  1.7270000000e-03  6.7765000000e-03 -1.9762000000e-03  1.0879900000e-02 -1.3390200000e-02  2.0105000000e-03 -4.9019000000e-03 -1.1432100000e-02 -1.1041000000e-03  1.5436900000e-02  1.3895000000e-02  6.8817000000e-03 -4.6363000000e-03 -1.1187000000e-03 -1.4987400000e-02  1.3471700000e-02  7.9016000000e-03 -2.6407000000e-03  2.1596000000e-03 -5.1701000000e-03  2.1191000000e-03 -1.3279700000e-02  2.1093000000e-03  8.2780000000e-04  1.2370600000e-02  6.4598000000e-03 -5.5444000000e-03 -9.8478000000e-03  1.0694300000e-02  9.8170000000e-03 -1.7690000000e-04 -8.7896000000e-03 -2.3070000000e-03  4.7442000000e-03  5.0592000000e-03 -1.5234600000e-02 -4.9648000000e-03 -2.4994000000e-03  1.4878100000e-02  4.1597000000e-03  3.2095000000e-03 -1.0483000000e-03 -7.4537000000e-03 -5.5363000000e-03  1.4753200000e-02  1.1722000000e-03 -4.8953000000e-03 -5.8100000000e-04  1.1759200000e-02  8.8445000000e-03 -2.0453600000e-02 -4.7628000000e-03  1.0744000000e-03  4.4196000000e-03 -3.9516000000e-03 -8.8022000000e-03  8.6551000000e-03  4.1973000000e-03  1.8396000000e-03 -6.1551000000e-03 -2.7658000000e-03  1.3399000000e-03  1.5617300000e-02 -2.1540000000e-03 -1.5104400000e-02 -9.8209000000e-03  1.1989000000e-03  5.8094000000e-03  2.7543000000e-03

JOB 22
COORDS  -7.4635000000e-01  9.0781000000e-01 -1.3306300000e+00  9.8750000000e-02  1.2762900000e+00 -1.0732000000e+00 -1.3225400000e+00  1.6671200000e+00 -1.4182800000e+00 -1.8183900000e+00  1.7088000000e+00  3.1682700000e+00 -2.7361600000e+00  1.7806300000e+00  3.4304900000e+00 -1.7625300000e+00  8.6559000000e-01  2.7187100000e+00  2.2585200000e+00  3.4864600000e+00  1.0139700000e+00  1.3578700000e+00  3.5127100000e+00  1.3370200000e+00  2.6617200000e+00  4.2816200000e+00  1.3623700000e+00  2.8226500000e+00  6.3264000000e-01 -4.1082500000e+00  2.0327100000e+00  9.2110000000e-02 -4.1160300000e+00  3.5295700000e+00  2.1530000000e-02 -3.9008000000e+00  2.0891200000e+00  1.3059800000e+00 -1.2082400000e+00  2.6733300000e+00  1.8621700000e+00 -6.9290000000e-01  2.5531500000e+00  1.1711500000e+00 -2.0345100000e+00 -2.5569300000e+00 -3.0275300000e+00  1.0570100000e+00 -2.7820600000e+00 -3.1038900000e+00  1.2980000000e-01 -1.7077600000e+00 -3.4624600000e+00  1.1343900000e+00  1.2834300000e+00 -8.1223000000e-01  1.1441700000e+00  7.7487000000e-01 -4.2320000000e-02  1.3988100000e+00  2.1213500000e+00 -4.5846000000e-01  8.4590000000e-01 -1.8044000000e+00 -2.7289000000e-01  1.0870700000e+00 -2.0785500000e+00 -1.1886900000e+00  1.1359100000e+00 -1.2821800000e+00 -2.2108000000e-01  2.8655000000e-01 -1.6522300000e+00 -3.2050400000e+00 -1.6193800000e+00 -1.2340500000e+00 -2.6585500000e+00 -2.2847400000e+00 -1.5038800000e+00 -4.1023300000e+00 -1.9178800000e+00  2.3042000000e-01  3.5611300000e+00  3.3459100000e+00  8.3231000000e-01  2.8870800000e+00  3.6615400000e+00 -6.0382000000e-01  3.1050900000e+00  3.2350400000e+00  3.5371000000e-01 -3.4064000000e+00  1.0731800000e+00  5.5647000000e-01 -2.4838100000e+00  1.2279300000e+00  3.1953000000e-01 -3.4880100000e+00  1.2008000000e-01 -5.0713000000e-01 -9.0627000000e-01 -3.4731900000e+00 -6.7881000000e-01 -3.1126000000e-01 -2.7433100000e+00 -1.0506500000e+00 -5.7323000000e-01 -4.1872600000e+00
ENERGY -9.171716040098e+02
EMD0 -3.033361410000e+02
FORCES   7.3485000000e-03 -1.0021000000e-03  1.1761000000e-03 -1.9884000000e-02  2.9680000000e-03  2.8518000000e-03  6.7023000000e-03  1.3436000000e-03 -8.7920000000e-04  4.2214000000e-03 -4.7392000000e-03 -7.6811000000e-03  4.6880000000e-04 -3.9369000000e-03 -2.1051000000e-03 -4.4446000000e-03  8.3362000000e-03  1.5298200000e-02 -3.6668000000e-03  2.1569000000e-03  4.9685000000e-03  7.5622000000e-03  6.4540000000e-04 -6.6421000000e-03 -3.0453000000e-03 -4.0360000000e-04 -6.2100000000e-05 -1.4493000000e-03  2.6045000000e-03 -1.0737700000e-02  9.6127000000e-03  4.1500000000e-05  2.3557000000e-03 -6.1120000000e-03  2.1650000000e-04  3.6216000000e-03 -2.4600000000e-03  2.1897000000e-03 -6.8205000000e-03  4.4257000000e-03 -9.3703000000e-03 -9.5309000000e-03  4.4394000000e-03  1.8661000000e-03  1.4179700000e-02  7.6114000000e-03 -5.9570000000e-03 -1.9286000000e-03  3.7340000000e-04 -9.7430000000e-04  5.5587000000e-03 -1.2202800000e-02  1.0108000000e-03 -5.2817000000e-03 -9.4130000000e-04 -6.5077000000e-03 -2.0418000000e-03  7.2121000000e-03  1.1496000000e-03 -2.2832000000e-03 -3.1121000000e-03  3.4911000000e-03  4.8825000000e-03 -5.7659000000e-03 -8.0152000000e-03 -6.5018000000e-03  8.5070000000e-03  1.7107300000e-02 -6.6009000000e-03 -4.6300000000e-04 -8.4701000000e-03  8.1344000000e-03 -3.1917000000e-03  7.4026000000e-03 -1.7650000000e-04 -1.9062000000e-03 -1.3347300000e-02  5.2890000000e-03  3.0577000000e-03  4.4992000000e-03 -1.1640000000e-03 -1.2897300000e-02 -4.8189000000e-03  8.1274000000e-03 -1.5289000000e-03 -2.5770000000e-04 -4.4614000000e-03  1.2019800000e-02  7.2366000000e-03  1.3310000000e-04  8.8080000000e-03  1.1226700000e-02  3.2124000000e-03 -6.5161000000e-03 -1.0090700000e-02 -4.4143000000e-03 -2.5980000000e-04  1.0759000000e-03  3.5682000000e-03  3.6130000000e-04  8.1992000000e-03  7.0773000000e-03 -3.3178000000e-03 -1.0062400000e-02 -1.5496900000e-02  4.3310000000e-04  3.1861000000e-03  4.3751000000e-03

JOB 23
COORDS  -1.4095800000e+00 -4.2069000000e-01 -1.4084100000e+00 -1.7205500000e+00 -4.1455000000e-01 -5.0315000000e-01 -1.0534400000e+00  4.5710000000e-01 -1.5457800000e+00 -1.8234200000e+00  2.8704700000e+00  2.7347800000e+00 -2.7109000000e+00  2.5488600000e+00  2.8934900000e+00 -1.3898800000e+00  2.1571800000e+00  2.2662800000e+00  2.1594000000e+00  2.9894800000e+00  1.7636900000e+00  1.5473200000e+00  3.7210600000e+00  1.6838100000e+00  2.9782700000e+00  3.3921600000e+00  2.0527100000e+00  1.7861300000e+00 -1.6145000000e-01 -1.6326000000e+00  2.6213900000e+00 -1.1501000000e-01 -2.0978000000e+00  1.2914000000e+00 -8.3821000000e-01 -2.0946200000e+00  2.0649400000e+00  7.9750000000e-02  1.1118600000e+00  2.1491700000e+00  9.4019000000e-01  1.5226900000e+00  2.0142300000e+00  2.6544000000e-01  1.7422000000e-01 -2.4135400000e+00 -1.7470600000e+00  9.9438000000e-01 -3.1233400000e+00 -2.3200100000e+00  1.2844600000e+00 -1.7384900000e+00 -2.3449500000e+00  6.7335000000e-01  1.9298400000e+00 -2.5310600000e+00  1.4542800000e+00  1.2543000000e+00 -2.5974400000e+00  2.1291600000e+00  1.9732800000e+00 -1.5970900000e+00  1.2492500000e+00 -5.9680000000e-01  3.5573000000e-01  1.1816800000e+00 -7.7057000000e-01 -5.6582000000e-01  1.3734500000e+00  3.5727000000e-01  4.1468000000e-01  1.1316300000e+00  4.0870000000e-01 -2.1213300000e+00 -3.1663900000e+00 -2.5122000000e-01 -1.8064200000e+00 -3.7841000000e+00  2.2430000000e-01 -3.0560500000e+00 -3.0740400000e+00  1.4263000000e-01  4.6920500000e+00  1.7467600000e+00 -1.7618000000e-01  4.8881100000e+00  8.6577000000e-01 -5.6489000000e-01  4.1905800000e+00  2.1519500000e+00 -3.7608000000e-01 -2.8837400000e+00 -5.0223000000e-01  5.3523000000e-01 -2.7237600000e+00 -2.5698000000e-01 -6.8973000000e-01 -2.0387800000e+00 -8.2457000000e-01 -1.7738000000e+00 -1.1336000000e+00 -4.2535800000e+00 -1.8968500000e+00 -5.4735000000e-01 -3.5069800000e+00 -2.4084700000e+00 -1.8364200000e+00 -4.1139800000e+00
ENERGY -9.171722854948e+02
EMD0 -3.214896070000e+02
FORCES   5.4182000000e-03 -1.2167000000e-03  1.1302100000e-02  1.0379500000e-02 -5.8101000000e-03 -7.6421000000e-03 -8.2961000000e-03 -1.4740000000e-04 -3.0880000000e-03 -4.1850000000e-04 -1.2754000000e-03  3.1056000000e-03  2.2849000000e-03 -4.7537000000e-03 -2.1462000000e-03 -7.1411000000e-03  1.2244800000e-02  3.9545000000e-03 -1.8943700000e-02  1.3506600000e-02  5.7710000000e-04  1.8890700000e-02 -6.7095000000e-03 -9.8760000000e-04 -3.9762000000e-03  4.6290000000e-03 -1.0692000000e-03 -8.6241000000e-03 -9.4807000000e-03 -4.1887000000e-03 -2.4248000000e-03 -1.9855000000e-03 -5.6020000000e-04  1.3531600000e-02  1.3283900000e-02  5.6155000000e-03  4.1270000000e-03 -9.5785000000e-03 -3.4250000000e-04 -8.2458000000e-03 -1.2054200000e-02 -1.1456200000e-02 -3.7227000000e-03  6.1368000000e-03  1.9674300000e-02  4.4849000000e-03 -1.2696000000e-03 -4.2863000000e-03  4.4826000000e-03 -4.7466000000e-03 -2.1293000000e-03 -1.1551400000e-02  1.4247600000e-02  5.9460000000e-03  1.0913500000e-02  1.3328800000e-02  4.8456000000e-03 -6.6540000000e-04  4.6288000000e-03 -3.3044000000e-03 -1.1229200000e-02 -1.1580600000e-02 -3.4149000000e-03  1.4717600000e-02 -7.8191000000e-03 -1.2902000000e-03  8.3539000000e-03  3.0870000000e-04 -8.3343000000e-03 -8.8998000000e-03  5.8530000000e-04 -6.3370000000e-04 -1.6467100000e-02  7.4245000000e-03 -1.5385000000e-03  8.1920000000e-03 -1.0980900000e-02  5.9954000000e-03 -4.7275000000e-03  1.4051000000e-03 -8.5379000000e-03 -1.8361000000e-03 -5.6815000000e-03  1.0208700000e-02 -9.4820000000e-04 -4.0552000000e-03  2.2759000000e-03  9.7543000000e-03  5.0327000000e-03 -1.2727500000e-02  8.1086000000e-03  2.1608000000e-03 -1.0771600000e-02 -1.0090200000e-02  6.9022000000e-03 -7.6715000000e-03 -3.3313000000e-03 -6.4882000000e-03  2.1640600000e-02  5.7578000000e-03  4.1360000000e-04  7.1020000000e-03 -5.9860000000e-04 -2.4177000000e-03 -8.3126000000e-03  2.7408000000e-03  1.8121000000e-03  2.1900000000e-03

JOB 24
COORDS  -1.4852600000e+00  1.6349600000e+00 -2.2497500000e+00 -1.7551800000e+00  1.3788900000e+00 -1.3678100000e+00 -2.0790400000e+00  1.1587900000e+00 -2.8302000000e+00 -1.3007100000e+00  2.7613400000e+00  9.8734000000e-01 -1.2617100000e+00  3.3501300000e+00  2.3366000000e-01 -1.9654000000e+00  2.1140000000e+00  7.5203000000e-01  2.8028700000e+00  1.9148300000e+00  1.5162000000e+00  2.2818600000e+00  2.0831400000e+00  2.3013400000e+00  2.9971200000e+00  2.7842800000e+00  1.1661400000e+00  5.4655000000e-01 -2.9005000000e-01 -1.3335100000e+00 -7.2530000000e-02  3.3977000000e-01 -1.7027000000e+00  3.0085000000e-01 -1.1271600000e+00 -1.7273500000e+00  2.7559300000e+00 -2.3210000000e-01  1.3184000000e-01  2.7756600000e+00  6.5188000000e-01  4.9849000000e-01  2.1952600000e+00 -1.5909000000e-01 -6.4053000000e-01 -1.4106900000e+00 -3.5929300000e+00  9.2740000000e-02 -2.1368900000e+00 -3.7056700000e+00  7.0606000000e-01 -7.8074000000e-01 -3.0479200000e+00  5.6428000000e-01  2.9979800000e+00 -1.5755500000e+00  2.6744700000e+00  3.9223900000e+00 -1.8201500000e+00  2.6311500000e+00  2.8703500000e+00 -9.8701000000e-01  1.9304400000e+00 -2.3524600000e+00  4.0173000000e-01  6.4670000000e-02 -2.9779700000e+00 -8.3180000000e-02 -4.7369000000e-01 -1.9874900000e+00 -2.5445000000e-01  6.5835000000e-01 -3.8651000000e-01 -2.5848700000e+00 -2.3737300000e+00  3.4179000000e-01 -3.0902700000e+00 -2.7348100000e+00 -6.5495000000e-01 -3.0732200000e+00 -1.5954600000e+00  5.6003000000e-01  3.6200900000e+00  2.9787100000e+00 -8.9770000000e-02  3.9503200000e+00  3.5991500000e+00  4.8780000000e-02  3.3549700000e+00  2.2141400000e+00  1.2703000000e-01 -1.7848200000e+00  1.4574500000e+00  7.5111000000e-01 -1.9319300000e+00  2.1681700000e+00  5.2352000000e-01 -1.0917600000e+00  9.2954000000e-01 -2.7325100000e+00 -2.2947000000e-01 -3.8833500000e+00 -1.8987100000e+00 -4.7328000000e-01 -4.2853100000e+00 -3.2751800000e+00 -1.0140800000e+00 -3.9616400000e+00
ENERGY -9.171701561112e+02
EMD0 -3.268225130000e+02
FORCES  -6.8635000000e-03 -3.3635000000e-03 -1.3666000000e-03 -1.1584000000e-03 -8.6640000000e-04 -8.3258000000e-03  5.0802000000e-03  2.2330000000e-03  7.7030000000e-03 -2.5198000000e-03 -1.2549000000e-02  1.0106000000e-03 -2.6924000000e-03 -2.8337000000e-03  2.4298000000e-03  1.8944000000e-03  1.0050700000e-02 -3.6074000000e-03 -2.5158000000e-03 -1.5979800000e-02 -4.5727000000e-03  6.0018000000e-03  1.5737000000e-03 -6.3776000000e-03 -1.9240000000e-03 -1.4010000000e-03  1.8725000000e-03 -2.3366000000e-03 -4.8619000000e-03 -5.7835000000e-03  1.6697000000e-03 -1.3053900000e-02  3.6745000000e-03  2.8326000000e-03  1.1823000000e-02  4.4276000000e-03 -7.5687000000e-03  1.2121300000e-02 -2.3304000000e-03 -2.8049000000e-03 -7.4450000000e-03 -7.6143000000e-03  1.0059400000e-02  7.0026000000e-03  6.0697000000e-03  6.0545000000e-03  3.7205000000e-03  6.3630000000e-03  3.1974000000e-03  3.7742000000e-03  3.9644000000e-03 -1.4020500000e-02 -1.0316900000e-02 -1.0924500000e-02  2.4218000000e-03  1.9595000000e-03 -7.4192000000e-03  1.2470000000e-04  3.1863000000e-03 -1.8574000000e-03  8.6230000000e-04 -4.1762000000e-03  1.4620600000e-02  1.0125100000e-02  5.4735000000e-03 -2.3960000000e-04  4.8231000000e-03  3.9000000000e-05  2.0683000000e-03 -1.1048200000e-02  1.2540000000e-04 -4.1523000000e-03 -7.7726000000e-03  2.1299000000e-03  7.2740000000e-03 -1.8771000000e-03  2.0020000000e-04  5.4082000000e-03  1.4889000000e-02  5.1368000000e-03 -1.0404700000e-02 -5.7874000000e-03 -1.2791000000e-03 -2.0818000000e-03 -2.3576000000e-03 -3.7190000000e-04 -3.5181000000e-03  7.2007000000e-03  7.4935000000e-03  7.6891000000e-03  7.0166000000e-03 -1.4875000000e-03 -1.1958000000e-03 -5.1394000000e-03  5.2548000000e-03 -5.1957000000e-03 -4.8804000000e-03 -5.4999000000e-03  1.1946700000e-02 -3.1070000000e-04  3.1602000000e-03  3.3357000000e-03 -5.1832000000e-03 -6.9900000000e-04  1.2440000000e-04  4.5081000000e-03 -2.7340000000e-04 -3.0148000000e-03

JOB 25
COORDS   1.4820000000e-01  1.4275800000e+00 -2.4677200000e+00 -2.1322000000e-01  1.6203200000e+00 -1.6025800000e+00 -5.3183000000e-01  9.1323000000e-01 -2.9027400000e+00 -1.8036800000e+00  2.2213400000e+00  2.1640300000e+00 -2.0662000000e+00  3.0387700000e+00  2.5872500000e+00 -1.6503800000e+00  1.6145700000e+00  2.8882900000e+00  2.2457800000e+00  2.2969600000e+00 -5.4869000000e-01  1.4097900000e+00  2.0898800000e+00 -1.3098000000e-01  2.0345200000e+00  2.3841900000e+00 -1.4782000000e+00  1.4227600000e+00 -8.2912000000e-01 -1.3848500000e+00  1.0714200000e+00  3.5590000000e-02 -1.5971700000e+00  1.0373600000e+00 -1.4119900000e+00 -2.0390300000e+00  2.6097500000e+00  6.7890000000e-02  1.0648900000e+00  2.8223000000e+00  9.6719000000e-01  8.1524000000e-01  2.3884200000e+00 -3.6424000000e-01  2.3997000000e-01 -2.2886000000e+00 -2.2034000000e+00 -9.7670000000e-01 -3.0040400000e+00 -1.5675500000e+00 -9.8540000000e-01 -1.8256200000e+00 -2.0325000000e+00 -1.5653000000e-01  1.0912800000e+00 -5.9705000000e-01  3.2780100000e+00  1.6312300000e+00 -3.0920000000e-02  2.7264800000e+00  1.6799400000e+00 -8.8422000000e-01  3.9760400000e+00 -1.2633600000e+00  4.6628000000e-01  4.2873500000e+00 -4.7642000000e-01  1.8230000000e-01  3.8222700000e+00 -1.5639400000e+00 -3.1580000000e-01  4.7502100000e+00 -1.8635000000e-01 -2.6435800000e+00 -2.9960200000e+00  3.4430000000e-02 -3.5375900000e+00 -2.7348300000e+00 -9.5781000000e-01 -2.4244800000e+00 -2.4734600000e+00 -2.4333000000e-01  1.3029800000e+00  2.9779000000e-01 -2.6534000000e-01  3.8459000000e-01  5.6672000000e-01 -7.4507000000e-01  1.7623200000e+00  9.7121000000e-01 -2.2870000000e-01 -1.3286000000e+00  1.0393600000e+00  4.4389000000e-01 -1.1249400000e+00  1.6892600000e+00  2.2570000000e-01 -1.2744200000e+00  1.9864000000e-01 -1.4173200000e+00 -1.1124000000e-01 -3.8054200000e+00 -1.8235400000e+00 -1.7638000000e-01 -4.6697000000e+00 -1.0135800000e+00 -9.6766000000e-01 -3.6648400000e+00
ENERGY -9.171957307551e+02
EMD0 -3.801434480000e+02
FORCES  -1.2291800000e-02 -2.8553000000e-03 -1.3033300000e-02  4.2524000000e-03 -6.1981000000e-03 -1.1604400000e-02  4.7079000000e-03 -1.7084000000e-03  1.6211600000e-02  3.4149000000e-03 -8.9752000000e-03 -2.8474000000e-03 -9.7900000000e-05 -3.6674000000e-03  4.5105000000e-03  4.8573000000e-03  1.1917600000e-02 -1.1684000000e-02 -7.8209000000e-03 -4.1679000000e-03 -8.5420000000e-04  1.3225100000e-02  1.9361000000e-03 -5.2402000000e-03 -2.9484000000e-03  9.6890000000e-04  5.3659000000e-03  2.2194000000e-03  8.3402000000e-03 -1.7639400000e-02 -7.4290000000e-04 -1.7346700000e-02  1.0475300000e-02 -1.1879000000e-03  1.0397700000e-02  7.4273000000e-03  5.8820000000e-04  8.8120000000e-04 -1.7696600000e-02 -3.8741000000e-03 -5.2817000000e-03  6.7409000000e-03  9.8400000000e-05  5.9196000000e-03  9.4371000000e-03 -2.0398000000e-03 -2.1230000000e-03  5.8692000000e-03  2.6618000000e-03 -6.4610000000e-04  4.7500000000e-03 -7.0806000000e-03  2.2107000000e-03 -1.0063900000e-02  3.0668000000e-03 -2.7450000000e-03 -1.1343300000e-02 -1.1572400000e-02 -6.3862000000e-03  1.6222800000e-02  1.8897000000e-03  5.3653000000e-03 -2.0204000000e-03  6.1594000000e-03 -3.8855000000e-03 -1.0426000000e-03 -1.5934500000e-02  5.9758000000e-03  1.8833000000e-03  5.9940000000e-03 -1.7399000000e-03 -2.7560000000e-04 -4.8460000000e-03 -4.5844000000e-03 -2.1850000000e-04 -2.8859000000e-03  2.8389000000e-03  3.9689000000e-03  1.4703900000e-02  2.0442000000e-03 -1.4228600000e-02 -1.1634800000e-02 -6.2018000000e-03  1.4298700000e-02  2.3567000000e-03  7.5701000000e-03 -1.4682000000e-03  1.1393200000e-02 -1.3526400000e-02 -4.8013000000e-03  1.0789800000e-02 -1.7144000000e-03  1.0605300000e-02 -1.3260000000e-03  9.9454000000e-03 -1.4985500000e-02 -1.1312100000e-02  7.7894000000e-03  1.4136800000e-02  9.5388000000e-03  1.2136700000e-02  5.7865000000e-03  1.7327000000e-03 -7.1675000000e-03  1.4493000000e-03 -6.0545000000e-03  4.6831000000e-03  1.9079000000e-03

JOB 26
COORDS  -1.2742000000e-01  1.8760700000e+00 -1.8123600000e+00 -8.7319000000e-01  1.5777400000e+00 -1.2917300000e+00  4.2163000000e-01  1.0984400000e+00 -1.9127000000e+00 -1.1081500000e+00  1.6028500000e+00  1.4969000000e+00 -1.7301300000e+00  2.3047700000e+00  1.6884500000e+00 -8.5507000000e-01  1.2653600000e+00  2.3561400000e+00  1.0935800000e+00  3.1014900000e+00  9.6834000000e-01  4.4528000000e-01  2.5695500000e+00  1.4298400000e+00  8.2378000000e-01  3.0659700000e+00  5.0640000000e-02  1.1776900000e+00 -5.7729000000e-01 -7.9733000000e-01  3.3568000000e-01 -5.3111000000e-01 -3.4441000000e-01  1.0220600000e+00 -1.1689300000e+00 -1.5335200000e+00  2.9501400000e+00  8.1483000000e-01  7.8714000000e-01  2.7762300000e+00  1.7184500000e+00  5.2359000000e-01  2.3935800000e+00  2.8660000000e-01  2.1490000000e-01 -3.4809700000e+00 -5.2409000000e-01 -2.3486800000e+00 -2.9724000000e+00 -6.2208000000e-01 -1.5437100000e+00 -3.9250600000e+00  3.1821000000e-01 -2.2509500000e+00  2.5724800000e+00 -3.8580000000e-02  3.3889700000e+00  2.6631000000e+00  4.1922000000e-01  2.5532400000e+00  3.3702900000e+00  1.8051000000e-01  3.8703600000e+00 -2.6671000000e-01  5.0842000000e-01  3.8775800000e+00  6.7476000000e-01  6.3633000000e-01  3.7613600000e+00 -3.6404000000e-01  2.6547000000e-01  4.7983100000e+00 -1.8987900000e+00 -2.2509800000e+00 -3.9917600000e+00 -2.2452700000e+00 -3.1044600000e+00 -3.7314600000e+00 -2.4825500000e+00 -1.6175400000e+00 -3.5743800000e+00 -1.7740000000e+00 -5.7282000000e-01 -2.7614000000e-01 -1.2634000000e+00 -1.3092500000e+00  6.0280000000e-02 -1.9401700000e+00 -2.5490000000e-02  4.9136000000e-01  3.2218000000e-01 -1.7744100000e+00  1.4342100000e+00  6.8144000000e-01 -1.7823700000e+00  2.3214000000e+00  1.0795200000e+00 -1.6184300000e+00  8.7000000000e-01  6.2066000000e-01 -2.1634200000e+00 -2.8580700000e+00  1.0083300000e+00 -1.7394700000e+00 -3.6237200000e+00 -3.1141000000e-01 -2.2284700000e+00 -3.0660100000e+00
ENERGY -9.171861035852e+02
EMD0 -3.467585210000e+02
FORCES   1.0972000000e-03 -7.3526000000e-03 -1.3828000000e-03  2.6516000000e-03  1.8861000000e-03 -1.6576000000e-03 -5.6326000000e-03  3.3147000000e-03 -1.9198000000e-03  1.0155400000e-02 -2.6619000000e-03  6.2568000000e-03  2.8577000000e-03 -3.6870000000e-03  2.8964000000e-03 -5.2200000000e-05  1.4831600000e-02 -1.5813600000e-02 -1.3022700000e-02 -6.7277000000e-03  9.8670000000e-04  2.7123000000e-03  3.2626000000e-03  2.8378000000e-03  3.7135000000e-03  1.6400000000e-04  7.6392000000e-03 -2.9836000000e-03 -1.2379500000e-02 -1.3501800000e-02  4.4179000000e-03 -1.1142700000e-02  8.4240000000e-04 -1.9793000000e-03  1.6362200000e-02  1.7925600000e-02 -5.8724000000e-03 -1.7278000000e-03 -8.6349000000e-03  3.2122000000e-03 -8.1324000000e-03 -5.9103000000e-03  3.4713000000e-03  8.6736000000e-03  9.3176000000e-03  7.1703000000e-03 -9.0600000000e-05  7.4942000000e-03 -1.0822800000e-02  4.3129000000e-03 -1.0518500000e-02  2.5322000000e-03 -4.3830000000e-04  7.9008000000e-03  8.0803000000e-03 -1.4160000000e-03 -1.5368400000e-02 -3.6784000000e-03 -3.1274000000e-03  2.4456100000e-02 -4.1980000000e-04  3.2190000000e-03 -3.7309000000e-03  2.8365000000e-03 -4.0648000000e-03 -1.0058000000e-03 -1.6396300000e-02  5.6393000000e-03  2.3582000000e-03  6.2599000000e-03  3.0910000000e-04 -1.7000000000e-05 -7.9675000000e-03  8.8176000000e-03 -5.7911000000e-03  1.7067000000e-03  4.5177000000e-03  4.5924000000e-03  9.5172000000e-03 -1.5550700000e-02 -3.0155000000e-03 -5.9850000000e-04  1.1962000000e-03  3.4483000000e-03  2.0624000000e-03  1.0110000000e-02 -7.1159000000e-03 -3.9183000000e-03 -9.6856000000e-03 -6.7545000000e-03  1.6714000000e-03  1.4341000000e-03 -1.5924000000e-03  4.8265000000e-03 -1.6329000000e-03 -6.4895000000e-03 -7.3173000000e-03  3.1825000000e-03  4.3930000000e-03 -1.4270400000e-02 -4.5103000000e-03 -4.7997000000e-03 -2.3913000000e-03  1.9628000000e-03  3.2655000000e-03  1.6371000000e-02  1.1323000000e-03  8.4090000000e-03

JOB 27
COORDS   1.3356400000e+00  2.6408700000e+00 -2.2583700000e+00  1.2047100000e+00  2.7980300000e+00 -3.1934500000e+00  9.7472000000e-01  1.7669900000e+00 -2.1090400000e+00 -8.3561000000e-01  2.5979900000e+00  2.1481400000e+00 -1.2075200000e+00  3.4489400000e+00  2.3800900000e+00 -5.8671000000e-01  2.2083600000e+00  2.9862800000e+00  1.6328600000e+00  2.3004000000e+00  6.2450000000e-01  1.1142400000e+00  2.8671000000e+00  1.1955600000e+00  1.4939600000e+00  2.6534900000e+00 -2.5429000000e-01  5.1222000000e-01  1.5991000000e-01 -1.9418300000e+00 -3.4770000000e-01 -2.0795000000e-01 -1.7382300000e+00  7.1219000000e-01 -1.6830000000e-01 -2.8184800000e+00  1.1822100000e+00 -3.1753000000e-01  8.0093000000e-01  1.3095700000e+00  6.1670000000e-01  6.3589000000e-01  9.0647000000e-01 -6.7494000000e-01 -4.3140000000e-02 -2.8196300000e+00 -5.5206000000e-01 -1.5612600000e+00 -2.3183200000e+00 -3.6525000000e-01 -7.6753000000e-01 -3.2522200000e+00  2.7535000000e-01 -1.7721900000e+00  1.5401500000e+00  5.2686000000e-01  3.4754800000e+00  1.4789200000e+00  3.8689000000e-01  2.5305500000e+00  2.1636700000e+00 -1.3425000000e-01  3.7761100000e+00 -8.6492000000e-01  9.2327000000e-01  4.2279900000e+00 -1.2326500000e+00  8.3120000000e-02  4.5021500000e+00  7.1350000000e-02  7.5315000000e-01  4.1245800000e+00 -8.7830000000e-01 -2.6546500000e+00 -2.0678400000e+00 -7.2382000000e-01 -3.3754600000e+00 -1.4572600000e+00 -1.8005600000e+00 -2.4296800000e+00 -1.9451300000e+00 -1.4551300000e+00 -2.7500000000e-03  9.2303000000e-01 -7.1987000000e-01 -4.1302000000e-01  1.3783300000e+00 -1.4026400000e+00  9.2147000000e-01  1.1665300000e+00  1.1604200000e+00 -4.6117300000e+00 -9.8370000000e-02  1.2645300000e+00 -4.1916400000e+00  7.5540000000e-01  1.9927200000e+00 -4.4569400000e+00 -5.4508000000e-01 -4.7074000000e-01 -9.8043000000e-01 -4.2879700000e+00 -1.0862700000e+00 -1.2785000000e+00 -4.9576800000e+00 -6.1687000000e-01 -1.5700600000e+00 -3.5482200000e+00
ENERGY -9.171621843280e+02
EMD0 -3.068241840000e+02
FORCES  -3.6338000000e-03 -1.2268500000e-02  2.0938000000e-03 -1.9189000000e-03 -6.9751000000e-03 -4.8700000000e-05  5.8439000000e-03  1.3352600000e-02 -5.6765000000e-03 -7.1992000000e-03 -1.2615500000e-02  9.6149000000e-03  4.5504000000e-03 -1.4866000000e-03  3.8200000000e-03  8.4813000000e-03  1.0688200000e-02 -7.2443000000e-03 -1.9416000000e-03 -3.0015000000e-03 -1.6728000000e-03  7.1671000000e-03  3.4497000000e-03 -6.9485000000e-03 -5.1289000000e-03 -2.6145000000e-03  1.2713700000e-02 -2.9020000000e-03  4.8004000000e-03 -5.6209000000e-03  7.8796000000e-03 -1.6933000000e-03 -3.7500000000e-05 -1.0651000000e-03  2.9434000000e-03  7.1492000000e-03 -2.7375000000e-03  2.0919400000e-02 -1.1786000000e-02 -5.1993000000e-03 -2.0673500000e-02  6.7302000000e-03 -3.4511000000e-03  1.8705000000e-03  4.5867000000e-03 -2.1313000000e-03 -1.8460000000e-04  7.8118000000e-03 -4.7550000000e-03  1.7968000000e-03 -1.9734200000e-02  3.2196000000e-03  1.5310000000e-03  4.9583000000e-03 -1.1564400000e-02  3.2323000000e-03 -4.3456000000e-03  1.6670000000e-03  3.2387000000e-03  9.5578000000e-03 -1.9343000000e-03 -1.5031000000e-03 -3.5654000000e-03  1.3791100000e-02  1.2028000000e-03 -1.0411300000e-02  8.3338000000e-03 -2.6891000000e-03  1.6816000000e-03 -1.7540300000e-02  3.0878000000e-03 -6.1290000000e-04  5.7584000000e-03 -8.3690000000e-04 -2.8739000000e-03 -1.2430500000e-02  5.4446000000e-03 -1.3790000000e-04  8.9989000000e-03 -8.6014000000e-03  8.1040000000e-04  1.5151300000e-02  4.2733000000e-03  7.8556000000e-03 -6.4610000000e-03  1.6211000000e-03  2.9235000000e-03  8.4110000000e-04 -1.0999600000e-02 -4.4132000000e-03  6.8670000000e-04 -3.9023000000e-03  2.5300000000e-04  3.3365000000e-03 -4.4190000000e-04 -4.0165000000e-03 -1.1653000000e-03  1.7554000000e-03  5.2585000000e-03  8.4150000000e-04 -1.9740000000e-03  4.3431000000e-03 -1.7011000000e-03 -3.7915000000e-03  4.3555000000e-03 -1.6873000000e-03  1.1044600000e-02 -7.3719000000e-03

JOB 28
COORDS  -1.0919300000e+00  2.1155300000e+00 -9.8631000000e-01 -1.8415300000e+00  2.3747300000e+00 -1.5221700000e+00 -6.4801000000e-01  1.4435700000e+00 -1.5036400000e+00  1.0924400000e+00  2.9324500000e+00  2.8723100000e+00  1.6988400000e+00  3.5278800000e+00  3.3127300000e+00  2.4504000000e-01  3.1066800000e+00  3.2819200000e+00  1.4944100000e+00  2.9851100000e+00  2.3220000000e-01  1.3041600000e+00  3.0210500000e+00  1.1696100000e+00  6.3767000000e-01  3.0525400000e+00 -1.8932000000e-01 -1.0572000000e-01  1.9652000000e-01 -2.2020400000e+00 -3.8921000000e-01 -5.5352000000e-01 -1.6792600000e+00  6.0817000000e-01 -1.4316000000e-01 -2.7416700000e+00  1.3753400000e+00  1.9764000000e-01  3.1591000000e-01  1.5119200000e+00  1.1448900000e+00  2.9826000000e-01  1.1072800000e+00 -2.2840000000e-02 -5.7614000000e-01 -1.3138100000e+00 -1.4947000000e+00 -3.8582000000e-01 -1.3403000000e+00 -9.1561000000e-01  3.7589000000e-01 -8.8145000000e-01 -2.2878800000e+00 -6.9350000000e-02  6.2920000000e-01 -2.1371800000e+00  2.3004300000e+00  7.6764000000e-01 -1.2631100000e+00  1.9356400000e+00  7.2248000000e-01 -2.0201900000e+00  3.2458600000e+00 -1.6351500000e+00  2.9719200000e+00  3.1900700000e+00 -1.5710600000e+00  2.0608600000e+00  2.9035200000e+00 -2.5300900000e+00  3.2303700000e+00  2.9698200000e+00 -3.1637000000e-01 -3.2951400000e+00 -3.2814300000e+00  1.6053000000e-01 -3.6445000000e+00 -2.5286000000e+00 -9.7129000000e-01 -2.7103000000e+00 -2.9002800000e+00 -1.2598400000e+00  6.3536000000e-01  1.6842100000e+00 -3.4967000000e-01  5.4120000000e-01  1.9651900000e+00 -1.2113800000e+00  1.1613200000e+00  8.8593000000e-01 -1.9377000000e-01 -3.9820900000e+00  3.8321000000e-01 -7.5212000000e-01 -4.7050400000e+00  6.6925000000e-01  2.0262000000e-01 -3.6515300000e+00  1.1893300000e+00  1.4278200000e+00 -1.1313800000e+00 -4.2154000000e+00  1.0365200000e+00 -7.9471000000e-01 -5.0214800000e+00  8.6783000000e-01 -1.8663700000e+00 -3.9655500000e+00
ENERGY -9.171881045970e+02
EMD0 -3.430024870000e+02
FORCES   1.2713200000e-02 -1.8834000000e-02 -1.9508000000e-02  2.3597000000e-03 -4.2440000000e-03 -3.7098000000e-03 -1.1358800000e-02  9.2029000000e-03  1.0211500000e-02 -7.7203000000e-03 -1.0766000000e-03 -8.1764000000e-03 -6.2345000000e-03  1.4612000000e-03  8.0720000000e-04  1.5397400000e-02 -2.7611000000e-03  2.6737000000e-03 -5.9340000000e-04  8.5344000000e-03  1.0013100000e-02 -1.1809000000e-03 -4.7679000000e-03 -1.4589200000e-02  7.0820000000e-03 -2.5850000000e-03  9.3575000000e-03 -1.1394000000e-02  1.2075700000e-02  4.5419000000e-03  2.0239400000e-02  1.1376400000e-02 -1.1915700000e-02 -1.1376800000e-02 -5.4300000000e-03  1.8473000000e-02  5.2784000000e-03  1.7732500000e-02 -1.1408300000e-02 -8.6478000000e-03 -1.8723300000e-02  9.2890000000e-04 -1.4600000000e-04  4.6620000000e-04  9.4120000000e-04 -4.5675000000e-03 -4.0336000000e-03  1.0630000000e-02  5.6983000000e-03 -8.7479000000e-03 -7.7021000000e-03 -1.5653000000e-03  1.6172000000e-02  7.0000000000e-05  2.6155000000e-03 -5.6250000000e-04 -7.1447000000e-03 -7.4984000000e-03 -3.6760000000e-03  1.5551800000e-02  2.3600000000e-04  5.8606000000e-03 -3.0089000000e-03  1.9798000000e-03 -4.3678000000e-03 -6.1078000000e-03  1.0107000000e-03  1.2856300000e-02  6.9537000000e-03 -7.9010000000e-04 -6.3595000000e-03 -1.6295000000e-03 -5.1602000000e-03 -1.0077800000e-02 -4.2930000000e-04 -2.5436000000e-03  6.2296000000e-03 -3.2040000000e-03  8.3546000000e-03 -2.0940000000e-04 -1.3004000000e-03  2.6712000000e-03  3.7089000000e-03 -9.2943000000e-03 -5.9278000000e-03  7.4190000000e-04  3.1912000000e-03  8.0630000000e-04 -1.0236700000e-02  1.4784100000e-02  3.8609000000e-03  4.1249000000e-03  3.3275000000e-03  3.8012000000e-03  1.9035000000e-03  5.4238000000e-03 -9.8906000000e-03 -1.0667600000e-02 -7.5283000000e-03  2.8280000000e-03 -9.7339000000e-03 -3.3558000000e-03 -3.1939000000e-03 -3.4978000000e-03  3.2182000000e-03  2.8575000000e-03  1.8145400000e-02 -1.0858000000e-03

JOB 29
COORDS  -6.9107000000e-01  3.0162400000e+00 -1.2228300000e+00 -5.6287000000e-01  3.6984900000e+00 -1.8818700000e+00 -2.4208000000e-01  2.2500700000e+00 -1.5800700000e+00 -1.2362300000e+00  1.6339700000e+00  3.1930500000e+00 -1.8822100000e+00  1.9246700000e+00  3.8368200000e+00 -1.7279800000e+00  1.5628500000e+00  2.3749100000e+00  6.9919000000e-01  2.2864500000e+00  1.2760100000e+00  2.9400000000e-01  2.0956500000e+00  2.1219700000e+00 -3.2040000000e-02  2.5338100000e+00  7.1002000000e-01  6.4140000000e-01  3.8934000000e-01 -1.9499000000e+00 -4.7410000000e-02  1.7542000000e-01 -1.3206100000e+00  6.2786000000e-01 -3.3466000000e-01 -2.5758900000e+00  2.6510400000e+00  1.0231600000e+00 -3.9829000000e-01  2.0600800000e+00  1.4179700000e+00  2.4290000000e-01  2.0730600000e+00  6.9434000000e-01 -1.0867900000e+00 -9.0777000000e-01 -6.2201000000e-01 -6.6880000000e-02 -5.6574000000e-01 -8.2269000000e-01  8.0431000000e-01 -1.7722800000e+00 -1.0325000000e+00 -8.5720000000e-02  3.4569100000e+00 -8.8597000000e-01  1.1607300000e+00  3.1989300000e+00 -1.0915000000e-01  6.6452000000e-01  3.9851500000e+00 -1.3976300000e+00  5.4803000000e-01 -2.5684800000e+00  1.7544600000e+00  6.6547000000e-01 -2.5612300000e+00  1.0179500000e+00  5.4130000000e-02 -2.0379400000e+00  2.4266200000e+00  2.3774000000e-01  7.1177000000e-01 -2.8518900000e+00 -9.1504000000e-01  1.5033900000e+00 -3.0436500000e+00 -4.1225000000e-01  4.7817000000e-01 -1.9584000000e+00 -6.6337000000e-01  6.3700000000e-01 -1.3862700000e+00  2.0943600000e+00  1.5913700000e+00 -1.3585500000e+00  2.0262400000e+00  3.9150000000e-01 -5.0782000000e-01  2.3846700000e+00 -3.6835400000e+00 -2.2236800000e+00 -2.8172000000e-01 -3.6694400000e+00 -3.1053600000e+00 -6.5412000000e-01 -4.5914500000e+00 -1.9365300000e+00 -3.7910000000e-01  4.8498000000e-01 -2.0769300000e+00 -3.4774700000e+00 -2.3042000000e-01 -2.5504400000e+00 -3.9019900000e+00  6.3476000000e-01 -2.5512800000e+00 -2.6596700000e+00
ENERGY -9.171835512967e+02
EMD0 -3.402156880000e+02
FORCES   4.0677000000e-03  8.9960000000e-04 -2.4210000000e-03  1.8610000000e-03 -5.3832000000e-03 -3.6234000000e-03 -6.9325000000e-03  1.0378600000e-02  4.9103000000e-03 -2.5574000000e-03  1.7596000000e-03 -3.5484000000e-03 -4.2477000000e-03 -8.3990000000e-04 -5.4267000000e-03  1.0124500000e-02  2.9474000000e-03  1.4593100000e-02 -2.6068000000e-03  5.5367000000e-03  3.9800000000e-03 -5.3900000000e-04 -9.5240000000e-04 -1.2254900000e-02 -3.6119000000e-03 -6.4030000000e-03  7.8949000000e-03  2.0119000000e-03 -1.1852600000e-02  6.5044000000e-03  5.8846000000e-03  6.0693000000e-03 -1.1830500000e-02 -9.0160000000e-04  6.5134000000e-03  1.6244800000e-02 -1.4070500000e-02 -2.9569000000e-03 -8.7327000000e-03  7.3341000000e-03 -1.3930600000e-02 -6.6422000000e-03  6.3587000000e-03  3.2126000000e-03  1.0325000000e-02  1.3069500000e-02 -2.6408000000e-03  4.8283000000e-03 -1.3585500000e-02  4.6685000000e-03 -8.0547000000e-03  8.1318000000e-03  9.6297000000e-03  6.3063000000e-03 -4.1520000000e-04  2.4959500000e-02 -1.5894700000e-02  3.1552000000e-03 -1.6439700000e-02  1.4800400000e-02 -2.3732000000e-03  1.9792000000e-03 -2.7219000000e-03  1.2093000000e-03  1.5890000000e-04 -7.9120000000e-03 -1.9698000000e-03  2.3055000000e-03 -1.4860000000e-03  1.5940000000e-04 -7.6952000000e-03  9.3453000000e-03 -6.4143000000e-03  3.5153000000e-03  2.6071000000e-03 -1.6369000000e-03  3.9862000000e-03 -6.8910000000e-04  9.0804000000e-03 -6.0412000000e-03 -6.2528000000e-03  1.1630800000e-02 -5.5197000000e-03  1.8641000000e-03 -1.5559800000e-02  2.5127000000e-03  6.7235000000e-03 -5.0000000000e-04 -4.6685000000e-03 -1.2245100000e-02 -1.0120000000e-04 -1.5775000000e-03  2.5847000000e-03 -6.1266000000e-03  3.1975000000e-03 -4.8500000000e-04  1.5839000000e-03 -5.5880000000e-03 -2.6450000000e-03  4.8751000000e-03 -6.0254000000e-03  8.4843000000e-03  9.5760000000e-04 -3.7868000000e-03  5.4803000000e-03 -7.3453000000e-03  8.0714000000e-03 -1.4610400000e-02

JOB 30
COORDS  -2.0521900000e+00  7.1732000000e-01 -1.1758300000e+00 -2.3511700000e+00 -7.2360000000e-02 -1.6266700000e+00 -1.1068600000e+00  5.9809000000e-01 -1.0843700000e+00 -8.1297000000e-01  2.2356000000e+00  2.9600300000e+00 -1.2211300000e+00  2.0743000000e+00  3.8106900000e+00 -1.5054600000e+00  2.0568400000e+00  2.3238300000e+00  2.2220100000e+00  2.9491600000e+00  1.0771100000e+00  1.9770300000e+00  3.2084900000e+00  1.9653400000e+00  1.4931100000e+00  2.4068200000e+00  7.7578000000e-01  9.3758000000e-01  3.0443000000e-01 -1.3193100000e+00  7.9351000000e-01 -5.9790000000e-01 -1.0342300000e+00  1.0865900000e+00  2.3725000000e-01 -2.2624500000e+00  3.5939000000e+00  5.8771000000e-01 -8.8740000000e-02  3.4168800000e+00  1.4437200000e+00  3.0132000000e-01  2.9899000000e+00  5.3187000000e-01 -8.2921000000e-01 -5.9301000000e-01 -2.5235000000e+00  1.2119000000e-01 -3.6055000000e-01 -1.9106300000e+00  8.1875000000e-01 -1.5441100000e+00 -2.6103500000e+00  1.8513000000e-01  2.4503400000e+00 -2.7876000000e-01  2.1823600000e+00  2.7333500000e+00 -1.2418000000e-01  1.2811200000e+00  3.1738300000e+00 -7.6189000000e-01  2.5815700000e+00 -2.6421100000e+00  1.8534900000e+00  1.1351600000e+00 -3.0898000000e+00  2.6837400000e+00  9.7240000000e-01 -2.4242000000e+00  1.5234300000e+00  2.6349000000e-01 -4.1506000000e-01 -2.7507800000e+00 -2.6918100000e+00 -5.6711000000e-01 -2.3811800000e+00 -1.8220300000e+00 -5.8609000000e-01 -3.6868500000e+00 -2.5880400000e+00 -2.5753000000e-01 -5.2724000000e-01  1.8874100000e+00  6.9870000000e-01 -4.8572000000e-01  1.8761500000e+00 -5.3696000000e-01  3.8724000000e-01  1.9307100000e+00 -3.3025200000e+00 -1.9101400000e+00 -8.2280000000e-02 -4.2024600000e+00 -1.8533000000e+00  2.3883000000e-01 -2.8533400000e+00 -1.1726000000e+00  3.3066000000e-01  1.0252000000e+00 -6.3185000000e-01 -3.9781300000e+00  9.2506000000e-01 -4.0355000000e-01 -4.9022900000e+00  6.3631000000e-01 -1.5032300000e+00 -3.9026800000e+00
ENERGY -9.171747760893e+02
EMD0 -3.301803850000e+02
FORCES   8.0300000000e-05  4.4217000000e-03 -3.3500000000e-05  7.8108000000e-03  1.1895000000e-03  1.8583000000e-03 -1.6941300000e-02 -4.4182000000e-03  3.6093000000e-03 -1.0918200000e-02  6.5020000000e-04 -1.0175900000e-02 -5.3336000000e-03  2.3340000000e-04 -4.5365000000e-03  1.1224500000e-02 -4.1786000000e-03  1.2953300000e-02 -8.6900000000e-04  3.5296000000e-03  4.2448000000e-03 -1.6815000000e-03  7.1000000000e-05 -4.1353000000e-03  5.0465000000e-03  3.5580000000e-04  2.1553000000e-03  4.8161000000e-03 -1.7701000000e-03 -1.1200500000e-02 -1.9254000000e-03  6.2720000000e-03 -5.4204000000e-03  1.2149000000e-03  3.7650000000e-04  1.7272100000e-02  1.3318000000e-03  4.9918000000e-03 -8.6580000000e-04 -4.4191000000e-03 -1.3971100000e-02 -4.6543000000e-03  4.4883000000e-03  2.2178000000e-03  5.4628000000e-03 -1.8057000000e-03  5.1019000000e-03  1.7694200000e-02 -1.4166000000e-03 -9.9903000000e-03 -1.0013400000e-02  6.9891000000e-03  7.9460000000e-03 -2.4500000000e-05  6.6634000000e-03  6.4743000000e-03 -7.9944000000e-03 -1.2105200000e-02 -5.4868000000e-03  1.4595300000e-02  3.0885000000e-03  1.5596000000e-03 -4.8661000000e-03  9.3579000000e-03 -9.4754000000e-03 -7.1735000000e-03  2.3836000000e-03 -2.5779000000e-03 -4.2621000000e-03 -7.7600000000e-04  1.3187300000e-02  1.4269500000e-02  8.0330000000e-04 -1.1378000000e-03  1.1974600000e-02 -2.6654000000e-03 -4.9910000000e-04 -1.3383400000e-02 -2.0360000000e-03  1.4738000000e-03  2.0258000000e-03  9.4234000000e-03  2.3697000000e-03  1.0446800000e-02 -1.7338300000e-02  1.0814000000e-03 -1.4581100000e-02  2.9110000000e-03 -3.5330000000e-03 -7.0239000000e-03 -4.1000000000e-06 -3.5446000000e-03 -6.2860000000e-04  3.5575000000e-03  5.1515000000e-03  8.7130000000e-04 -2.4977000000e-03 -8.5670000000e-03 -2.0829000000e-03 -1.0510000000e-03 -3.4655000000e-03  5.0758000000e-03 -2.9619000000e-03 -7.2760000000e-03  1.1960000000e-04  5.5552000000e-03  1.1236500000e-02 -1.1572800000e-02

JOB 31
COORDS  -2.0491600000e+00  1.4804500000e+00 -1.4617000000e+00 -2.0999700000e+00  1.4831000000e+00 -2.4175400000e+00 -1.1748400000e+00  1.8178900000e+00 -1.2669200000e+00 -1.1172100000e+00  9.6949000000e-01  1.8522100000e+00 -4.7483000000e-01  1.3219000000e+00  1.2362600000e+00 -1.7737200000e+00  1.6609900000e+00  1.9361100000e+00  6.5183000000e-01  2.0365100000e+00 -9.8600000000e-02  1.1573300000e+00  2.6153400000e+00  4.7207000000e-01  1.2290700000e+00  1.2889700000e+00 -2.5422000000e-01  1.4633000000e+00 -5.7421000000e-01 -4.4378000000e-01  1.2690900000e+00 -9.2910000000e-01  4.2373000000e-01  1.1154900000e+00 -1.2255500000e+00 -1.0529000000e+00  4.5522100000e+00 -6.1645000000e-01  5.5896000000e-01  4.2414000000e+00 -6.1916000000e-01 -3.4637000000e-01  4.4320500000e+00 -1.5182100000e+00  8.5665000000e-01 -2.7755000000e-01 -3.0690600000e+00  3.9543000000e-01  2.8947000000e-01 -2.7016500000e+00  1.0734700000e+00 -1.0100400000e+00 -2.4556700000e+00  3.3682000000e-01  2.7222300000e+00  1.0355000000e+00  1.8877600000e+00  3.3595200000e+00  5.0914000000e-01  1.4050200000e+00  3.0902200000e+00  1.1099400000e+00  2.7682500000e+00 -3.5409300000e+00  2.7479800000e+00  8.7943000000e-01 -4.4957500000e+00  2.7135700000e+00  8.2139000000e-01 -3.2377200000e+00  2.4658800000e+00  1.6470000000e-02  3.3706000000e-01 -2.5297800000e+00 -2.0766400000e+00 -5.3400000000e-03 -3.2232100000e+00 -1.5125900000e+00  8.9129000000e-01 -2.9867600000e+00 -2.7092800000e+00  6.3687000000e-01 -9.0935000000e-01  2.2932200000e+00  1.2187500000e+00 -1.5459000000e-01  2.3826200000e+00 -2.4356000000e-01 -5.4638000000e-01  2.3898700000e+00 -2.3641000000e+00 -1.2369200000e+00  1.1143000000e-01 -2.2292500000e+00 -7.3694000000e-01  9.1646000000e-01 -2.4267100000e+00 -5.7334000000e-01 -5.7556000000e-01 -1.0764600000e+00  6.9381000000e-01 -3.8349700000e+00 -7.9028000000e-01  6.9000000000e-03 -3.2328900000e+00 -1.3356700000e+00  2.2496000000e-01 -4.6282000000e+00
ENERGY -9.171937561859e+02
EMD0 -3.320685560000e+02
FORCES   8.8670000000e-03 -6.3010000000e-04 -1.0434900000e-02  1.5468000000e-03  1.0194000000e-03  8.7579000000e-03 -9.4829000000e-03 -1.7093000000e-03 -8.2899000000e-03  1.0167300000e-02  6.0250000000e-04 -7.4071000000e-03 -9.5453000000e-03 -1.3812000000e-03  1.4847300000e-02  1.0856400000e-02 -1.1755000000e-03 -2.1731000000e-03  6.8591000000e-03 -1.0185100000e-02 -6.0493000000e-03 -1.1982000000e-03 -4.7174000000e-03  6.0400000000e-05 -9.4310000000e-04  1.8209700000e-02  5.8848000000e-03 -1.4471300000e-02 -8.1258000000e-03  2.6870000000e-04  4.5972000000e-03 -2.3326000000e-03 -1.0804700000e-02  7.6925000000e-03  7.5591000000e-03  1.1399400000e-02  7.9820000000e-04  7.3350000000e-04 -6.1760000000e-04  3.9694000000e-03 -3.6869000000e-03  4.2484000000e-03 -8.1460000000e-04  2.2043000000e-03 -4.0875000000e-03 -6.3210000000e-03  9.9712000000e-03 -3.8500000000e-03 -3.4917000000e-03  1.1573000000e-03 -5.5189000000e-03  1.5435100000e-02 -7.0906000000e-03  5.1516000000e-03  1.0155800000e-02 -4.7083000000e-03 -1.1695100000e-02 -9.6467000000e-03  9.1150000000e-03  1.1826100000e-02 -7.5470000000e-04 -5.1752000000e-03 -2.6734000000e-03  1.2714000000e-03  4.1020000000e-04 -2.4269000000e-03  2.2207000000e-03 -8.7980000000e-04 -5.5196000000e-03 -9.7724000000e-03  4.7326000000e-03  9.8326000000e-03 -6.6714000000e-03 -4.5750000000e-04  1.9709800000e-02  3.9180000000e-03 -2.7383000000e-03 -1.8280800000e-02 -2.1282000000e-03 -2.8731000000e-03  5.2833000000e-03 -5.9433000000e-03  1.7369500000e-02  9.8980000000e-04 -8.9970000000e-03 -6.8061000000e-03  1.3656000000e-03  7.0423000000e-03 -4.7774000000e-03  2.6440000000e-04  5.2190000000e-04  7.1312000000e-03 -2.8968000000e-03 -5.9450000000e-04 -8.2380000000e-03 -4.4700000000e-03 -3.6154000000e-03 -6.6283000000e-03  5.4805000000e-03  2.2864000000e-03  4.2767000000e-03  3.3238000000e-03 -5.1600000000e-03  3.0273000000e-03 -6.0927000000e-03  1.3463000000e-03 -3.2031000000e-03  4.5939000000e-03

JOB 32
COORDS  -1.8671200000e+00  2.0941400000e+00 -1.2831100000e+00 -2.3996900000e+00  2.5377000000e+00 -1.9433000000e+00 -1.0466100000e+00  1.8921500000e+00 -1.7327700000e+00 -2.2413300000e+00  3.2882000000e-01  2.4717200000e+00 -2.1550500000e+00  1.1647600000e+00  2.0134700000e+00 -2.7673000000e+00  5.3229000000e-01  3.2451500000e+00  4.6220000000e-01  8.2128000000e-01 -2.0970500000e+00  8.7455000000e-01  7.8508000000e-01 -1.2339800000e+00 -5.0790000000e-02  1.5020000000e-02 -2.1519300000e+00  3.0469400000e+00 -2.8367300000e+00  1.5415800000e+00  2.1048100000e+00 -2.6698000000e+00  1.5138400000e+00  3.2982100000e+00 -2.9470900000e+00  6.2457000000e-01  4.0095900000e+00 -4.7614000000e-01  1.1343300000e+00  3.6714200000e+00 -1.3391100000e+00  1.3733900000e+00  4.9464400000e+00 -5.2436000000e-01  1.3246200000e+00  2.5501000000e-01 -1.8659100000e+00 -7.1249000000e-01  7.7173000000e-01 -1.2890100000e+00 -1.4997000000e-01 -6.5015000000e-01 -1.5858000000e+00 -5.7667000000e-01  1.6453600000e+00  1.0564600000e+00  4.0941000000e-01  2.4633300000e+00  6.3805000000e-01  6.7792000000e-01  1.8741800000e+00  1.9787000000e+00  2.9393000000e-01 -2.0410100000e+00  2.7990800000e+00  1.2843100000e+00 -2.7068900000e+00  3.4744400000e+00  1.1550000000e+00 -1.6329200000e+00  2.6966900000e+00  4.2453000000e-01  2.1469000000e+00 -3.8660200000e+00 -1.1367600000e+00  1.8092300000e+00 -4.6102800000e+00 -1.6350400000e+00  1.4104300000e+00 -3.2566300000e+00 -1.0868900000e+00  1.5325000000e-01 -9.9151000000e-01  2.2658400000e+00  6.5848000000e-01 -2.2923000000e-01  2.5485300000e+00 -7.5923000000e-01 -7.0678000000e-01  2.3162800000e+00 -2.0817500000e+00 -5.2674000000e-01 -2.4043000000e-01 -2.2381900000e+00 -5.1339000000e-01  7.0380000000e-01 -2.4397900000e+00  3.0345000000e-01 -5.5478000000e-01 -3.3455500000e+00  3.2526600000e+00 -3.5787300000e+00 -3.0159600000e+00  3.4821100000e+00 -4.4476100000e+00 -4.2685100000e+00  3.5056900000e+00 -3.5976300000e+00
ENERGY -9.171820004372e+02
EMD0 -3.381682100000e+02
FORCES   8.5875000000e-03 -6.0318000000e-03 -2.6513000000e-03  8.9059000000e-03 -5.1547000000e-03  5.6491000000e-03 -1.8958400000e-02  1.1290300000e-02  3.3964000000e-03  5.7461000000e-03  8.1852000000e-03 -4.6472000000e-03 -3.5986000000e-03 -1.9225200000e-02  7.4024000000e-03  1.7990000000e-04  6.5714000000e-03 -2.5571000000e-03  1.2844900000e-02 -8.3585000000e-03  1.0056000000e-02 -9.4776000000e-03  7.7220000000e-04 -1.1227400000e-02 -2.7370000000e-03  7.1869000000e-03  2.0738000000e-03 -1.3428000000e-03 -6.1421000000e-03  2.2262000000e-03  9.1832000000e-03  3.9390000000e-03 -5.9381000000e-03  2.2105000000e-03  1.7834500000e-02  8.9338000000e-03 -8.4071000000e-03 -2.1684200000e-02  5.6618000000e-03  9.8227000000e-03  1.3762100000e-02 -1.1578900000e-02 -1.2904000000e-03 -7.5155000000e-03  1.4087000000e-03 -1.4697300000e-02  4.5582000000e-03  7.1871000000e-03  1.0693000000e-03 -2.5500000000e-03 -6.6663000000e-03  1.3212100000e-02 -3.4473000000e-03 -2.3662000000e-03  5.9346000000e-03 -6.8309000000e-03  2.0937000000e-03 -1.4052200000e-02  1.1413300000e-02 -2.7684000000e-03  1.9405000000e-03 -3.8442000000e-03 -7.7450000000e-04  1.5933000000e-03 -4.3368000000e-03 -1.3811800000e-02  2.3367000000e-03  6.7670000000e-04 -3.4518000000e-03 -1.6150000000e-03  6.2639000000e-03  1.4815900000e-02 -5.3992000000e-03  5.2298000000e-03  1.1719000000e-03 -4.8526000000e-03  3.5033000000e-03 -6.5230000000e-04  1.1010500000e-02 -1.2159500000e-02 -1.6986000000e-03 -1.3529400000e-02  6.7843000000e-03  1.9181000000e-03 -2.4330000000e-03 -1.6727000000e-03  1.7922000000e-03  7.8046000000e-03 -2.4724000000e-03 -2.9886000000e-03  3.1196000000e-03  6.8891000000e-03 -1.3843000000e-03  2.4194000000e-03  4.5090000000e-03 -7.5366000000e-03 -4.5641000000e-03 -8.7132000000e-03  1.0066500000e-02  2.7591000000e-03 -2.3780000000e-03  7.4210000000e-04 -7.0501000000e-03  1.9219000000e-03  8.1940000000e-04  3.3246000000e-03  1.2261000000e-03 -4.7160000000e-03

JOB 33
COORDS  -1.1203200000e+00  2.5507100000e+00 -5.5330000000e-01 -1.2378200000e+00  2.4264800000e+00 -1.4951000000e+00 -3.0949000000e-01  2.0847700000e+00 -3.4910000000e-01 -3.2561400000e+00 -5.8980000000e-01  1.8596000000e+00 -3.4930800000e+00  3.3373000000e-01  1.7748300000e+00 -4.0920700000e+00 -1.0428700000e+00  1.9699600000e+00  7.6641000000e-01  6.5498000000e-01  1.9616000000e-01  1.5816800000e+00  8.6596000000e-01 -2.5887000000e-01  2.9810000000e-01  7.6890000000e-02 -4.0611000000e-01  2.8736500000e+00 -1.5965900000e+00  1.0394300000e+00  2.0451900000e+00 -1.4056300000e+00  1.4792200000e+00  2.6959400000e+00 -2.3832900000e+00  5.2392000000e-01  4.8765900000e+00  4.1393000000e-01  7.1692000000e-01  4.3008300000e+00 -2.9063000000e-01  1.0141400000e+00  5.6701600000e+00 -3.2860000000e-02  4.2220000000e-01 -5.9883000000e-01 -2.3155300000e+00 -3.2331000000e-01 -5.5730000000e-01 -2.0862900000e+00  6.0510000000e-01 -1.1819700000e+00 -1.6602400000e+00 -7.0645000000e-01  2.9838400000e+00  1.5153500000e+00 -1.3408200000e+00  3.7389400000e+00  1.3165700000e+00 -7.8717000000e-01  3.1469700000e+00  1.0330600000e+00 -2.1513800000e+00 -3.5587900000e+00  2.0118000000e+00  1.5218200000e+00 -3.4660300000e+00  2.4429000000e+00  2.3713900000e+00 -3.2724700000e+00  2.6684600000e+00  8.8695000000e-01  1.7692600000e+00 -3.5529000000e+00 -8.1506000000e-01  1.9838500000e+00 -3.3070600000e+00 -1.7149200000e+00  9.5535000000e-01 -3.0858400000e+00 -6.2628000000e-01 -7.6750000000e-02 -1.1149700000e+00  2.0164900000e+00  2.3267000000e-01 -2.7606000000e-01  1.6748500000e+00 -1.0224800000e+00 -1.0014600000e+00  2.1110600000e+00 -2.3488600000e+00 -3.4881000000e-01 -8.0950000000e-01 -2.8222700000e+00 -7.3459000000e-01 -7.2420000000e-02 -2.4610500000e+00  5.9535000000e-01 -6.9905000000e-01 -2.1885000000e+00  2.2899700000e+00 -3.3623100000e+00 -2.0852600000e+00  3.0929500000e+00 -3.8730000000e+00 -2.5643900000e+00  1.6607100000e+00 -3.9779100000e+00
ENERGY -9.171777766974e+02
EMD0 -3.351907840000e+02
FORCES   1.2546200000e-02 -1.5522000000e-03  4.2251000000e-03  6.5071000000e-03 -3.9381000000e-03  9.4943000000e-03 -8.2774000000e-03  4.3185000000e-03 -1.3709000000e-02  2.1104000000e-03  1.6499700000e-02  2.7644000000e-03 -4.8604000000e-03 -1.7146400000e-02  3.0471000000e-03 -1.2288000000e-03  7.5258000000e-03 -3.4404000000e-03  1.1399700000e-02 -3.0808000000e-03  1.3412000000e-03 -1.8258100000e-02 -6.3077000000e-03  4.0580000000e-03  4.2124000000e-03  8.2784000000e-03  5.9270000000e-04 -3.8105000000e-03 -7.5445000000e-03 -4.9289000000e-03  2.1783000000e-03 -1.7789000000e-03 -4.2544000000e-03 -1.5790000000e-03  1.0391300000e-02  1.0108600000e-02 -5.5936000000e-03 -6.5878000000e-03  9.4923000000e-03  1.5270200000e-02  9.3344000000e-03 -3.0838000000e-03 -3.7987000000e-03 -2.3625000000e-03 -1.5750000000e-04 -3.9703000000e-03  9.6241000000e-03  7.3945000000e-03 -8.9920000000e-03 -2.3420000000e-04 -1.0371100000e-02  3.0813000000e-03 -4.1659000000e-03  1.1088500000e-02  6.2306000000e-03  3.6753000000e-03  4.0793000000e-03 -1.0371600000e-02  1.5031000000e-03 -1.5105300000e-02  2.9145000000e-03 -5.3410000000e-04  3.4342000000e-03  4.6385000000e-03 -8.9582000000e-03 -6.4047000000e-03  5.3600000000e-04  6.9170000000e-04 -4.1324000000e-03 -7.2785000000e-03  3.5633000000e-03  9.9765000000e-03 -1.7454900000e-02 -2.8340000000e-04  1.9130000000e-04 -2.7328000000e-03  2.6442000000e-03  1.5077000000e-03  2.0320900000e-02 -2.2907000000e-03 -8.5060000000e-04  5.6105000000e-03  6.2673000000e-03 -6.9553000000e-03 -7.7622000000e-03 -1.0307300000e-02  6.5553000000e-03  1.0268800000e-02 -7.6600000000e-04 -1.0905000000e-02  1.9481000000e-03  1.2850000000e-04  7.1530000000e-03  5.1265000000e-03  2.3253000000e-03 -1.0429200000e-02 -6.7627000000e-03 -8.2164000000e-03  1.5259000000e-03 -1.3944000000e-03 -2.5238000000e-03  2.7643000000e-03 -1.7257000000e-03 -5.1355000000e-03 -2.4357000000e-03  9.5140000000e-04  6.9433000000e-03 -3.6307000000e-03

JOB 34
COORDS  -4.4797000000e+00  2.1117900000e+00 -8.2503000000e-01 -3.9111600000e+00  1.7252500000e+00 -1.4910400000e+00 -5.3273700000e+00  1.6873200000e+00 -9.5736000000e-01 -1.0078200000e+00  9.1252000000e-01  2.2604000000e+00 -6.9190000000e-02  8.5291000000e-01  2.0825300000e+00 -1.2743900000e+00  1.7433200000e+00  1.8667700000e+00  1.1543300000e+00  3.8320000000e-02 -5.4089000000e-01  1.7634100000e+00  5.6386000000e-01 -2.2170000000e-02  1.7154500000e+00 -4.7790000000e-01 -1.1196000000e+00  4.1452700000e+00 -2.2998300000e+00  5.5645000000e-01  4.0952000000e+00 -3.0371200000e+00  1.1648300000e+00  3.4765800000e+00 -2.4866000000e+00 -1.0250000000e-01  4.8926900000e+00  2.1953000000e-01  6.3560000000e-02  4.6238200000e+00 -6.2354000000e-01  4.2850000000e-01  5.7869000000e+00  3.4441000000e-01  3.8140000000e-01 -5.7704000000e-01 -2.7574900000e+00 -2.9527000000e-01 -1.2165700000e+00 -2.3048200000e+00  2.5457000000e-01 -1.0766400000e+00 -3.0406200000e+00 -1.0610700000e+00  2.9174600000e+00  2.0817100000e+00  7.9098000000e-01  3.7975400000e+00  1.7097400000e+00  7.3317000000e-01  2.7550100000e+00  2.4499000000e+00 -7.7510000000e-02 -2.1603200000e+00  2.9931700000e+00  6.6707000000e-01 -1.8907300000e+00  3.3556000000e+00 -1.7685000000e-01 -3.0714200000e+00  2.7308100000e+00  5.3555000000e-01  1.9827100000e+00 -3.3822000000e+00 -8.5226000000e-01  1.8570000000e+00 -4.3169400000e+00 -1.0156100000e+00  1.1464100000e+00 -3.0869000000e+00 -4.9221000000e-01 -2.6302900000e+00 -1.2474700000e+00  1.7594500000e+00 -1.9343800000e+00 -6.6958000000e-01  2.0724800000e+00 -3.2520400000e+00 -1.2898000000e+00  2.4859900000e+00 -1.3813800000e+00  2.7595000000e-01 -7.0138000000e-01 -1.6496800000e+00 -1.3288000000e-01  1.2148000000e-01 -4.2566000000e-01  2.2317000000e-01 -6.9515000000e-01 -2.9275200000e+00  1.1763100000e+00 -2.8124800000e+00 -2.2573800000e+00  6.4174000000e-01 -2.3865900000e+00 -2.5105600000e+00  1.4891500000e+00 -3.6152900000e+00
ENERGY -9.171714521184e+02
EMD0 -3.104026000000e+02
FORCES   8.2383000000e-03 -2.7321000000e-03 -9.8242000000e-03 -1.0641400000e-02 -3.6370000000e-04  1.0804900000e-02  2.5453000000e-03 -2.2855000000e-03 -4.7983000000e-03 -1.0120600000e-02  1.0989300000e-02 -5.6083000000e-03 -3.7631000000e-03  1.5376000000e-03 -2.4089000000e-03  1.2563900000e-02 -1.0504500000e-02  1.0954600000e-02 -1.6740900000e-02  3.8962000000e-03  3.9854000000e-03 -4.3899000000e-03 -1.0159400000e-02 -1.1978600000e-02  3.5377000000e-03  5.8268000000e-03  3.1212000000e-03 -5.1618000000e-03  3.4300000000e-05 -6.5305000000e-03 -1.8008000000e-03 -2.1851000000e-03 -2.8467000000e-03  9.4169000000e-03  6.5673000000e-03  9.0821000000e-03 -5.9600000000e-03 -1.8868300000e-02 -2.3780000000e-03  6.5361000000e-03  1.5957300000e-02 -2.1838000000e-03 -3.5133000000e-03 -1.5641000000e-03  3.5591000000e-03  3.0383000000e-03  6.4036000000e-03  3.6114000000e-03  2.1649000000e-03 -3.3008000000e-03 -9.6263000000e-03 -6.0760000000e-04 -6.4100000000e-04  3.3311000000e-03  1.2596000000e-02 -1.5120000000e-04  4.5898000000e-03 -8.3668000000e-03  1.2140400000e-02 -1.7440000000e-04  6.6210000000e-04 -7.2923000000e-03  7.9100000000e-04 -5.6464000000e-03 -6.3842000000e-03 -6.9348000000e-03 -3.0014000000e-03  2.5568000000e-03  8.4200000000e-05  9.9468000000e-03  6.2352000000e-03  3.5178000000e-03 -1.0828000000e-02  3.9709000000e-03  2.5876000000e-03 -5.3991000000e-03  1.4455000000e-03  2.1205000000e-03  1.4215900000e-02 -9.6929000000e-03 -5.4770000000e-03  1.0240000000e-04  1.1521300000e-02  3.5890000000e-03 -7.6166000000e-03 -1.6332900000e-02 -4.4737000000e-03  3.7886000000e-03  2.8489000000e-03  2.8874000000e-03  1.5976500000e-02  3.9697000000e-03  8.3165000000e-03  1.0743800000e-02 -5.4408000000e-03 -1.3550000000e-04 -1.0408600000e-02 -7.5550000000e-04  1.8612000000e-03 -3.5672000000e-03  1.6971000000e-03  1.3722400000e-02 -4.9121000000e-03  6.5359000000e-03 -1.9781700000e-02  6.3721000000e-03 -5.4797000000e-03  2.6440000000e-03

JOB 35
COORDS  -3.7244000000e+00  8.2247000000e-01  4.4981000000e-01 -3.9875200000e+00  1.9424000000e-01 -2.2274000000e-01 -3.3358500000e+00  2.8581000000e-01  1.1406500000e+00  4.9710000000e-02  7.3817000000e-01  1.6357600000e+00  5.6000000000e-01  6.3906000000e-01  8.3201000000e-01 -4.6414000000e-01  1.5337900000e+00  1.4972300000e+00  1.0052100000e+00  7.8260000000e-01 -1.2174700000e+00  1.8255400000e+00  1.2344700000e+00 -1.4152000000e+00  1.0794300000e+00 -5.8100000000e-02 -1.6690600000e+00  2.0463700000e+00 -1.5727200000e+00  2.1515300000e+00  1.7085300000e+00 -6.8826000000e-01  2.2923100000e+00  1.8920300000e+00 -1.7435100000e+00  1.2224200000e+00  4.6172300000e+00 -1.8875000000e-01  1.5896200000e+00  4.1157500000e+00 -8.9019000000e-01  2.0052300000e+00  5.4472100000e+00 -5.9881000000e-01  1.3462900000e+00 -1.2502400000e+00 -2.3371700000e+00  5.6750000000e-02 -1.3633600000e+00 -2.0869400000e+00  9.7371000000e-01 -1.8654100000e+00 -1.7811300000e+00 -4.2139000000e-01  3.8665500000e+00  6.5655000000e-01 -1.1721200000e+00  3.6815300000e+00  2.2020000000e-01 -3.4049000000e-01  4.7283900000e+00  1.0541000000e+00 -1.0480100000e+00 -1.8323700000e+00  2.9606400000e+00  7.3332000000e-01 -2.4790400000e+00  3.5590400000e+00  1.1074400000e+00 -2.3505200000e+00  2.2368700000e+00  3.8132000000e-01  8.6649000000e-01 -1.9228500000e+00 -1.6368900000e+00  1.1967600000e+00 -2.5580800000e+00 -2.2722100000e+00  1.3835000000e-01 -2.3706200000e+00 -1.2061300000e+00 -2.1961500000e+00 -6.8742000000e-01  2.3038900000e+00 -1.3097400000e+00 -3.7384000000e-01  2.1244900000e+00 -2.2604200000e+00 -6.9195000000e-01  3.2589200000e+00 -8.5687000000e-01  1.5227300000e+00 -3.0803500000e+00 -2.4013000000e-01  1.5944600000e+00 -2.3518400000e+00 -6.8770000000e-01  2.2982900000e+00 -3.6152500000e+00 -2.6592500000e+00 -7.6045000000e-01 -1.7514700000e+00 -1.9578900000e+00 -1.5165000000e-01 -1.9831800000e+00 -2.9833700000e+00 -1.0842400000e+00 -2.5919000000e+00
ENERGY -9.171866898456e+02
EMD0 -3.322796400000e+02
FORCES   1.8157000000e-03 -6.1471000000e-03  1.5570000000e-03 -2.6669000000e-03 -1.8218000000e-03  8.4059000000e-03 -5.3441000000e-03  5.3312000000e-03 -1.2128400000e-02 -1.9608000000e-03  9.1585000000e-03 -6.3755000000e-03 -1.4839000000e-03  1.2539000000e-03  1.4863200000e-02  5.4451000000e-03 -1.4111700000e-02 -1.0646000000e-03  2.9722000000e-03 -1.2767000000e-02 -5.4217000000e-03 -1.0251900000e-02 -2.9340000000e-03 -3.2660000000e-03  3.7637000000e-03  1.7657900000e-02 -1.0677000000e-03 -8.5467000000e-03 -1.9798000000e-03  2.4624000000e-03  5.6847000000e-03 -5.1706000000e-03 -6.1845000000e-03  3.0775000000e-03  5.3534000000e-03  4.6093000000e-03 -3.7870000000e-03  1.4078000000e-03  8.2953000000e-03  1.3468600000e-02  2.9152000000e-03 -5.6983000000e-03 -5.1171000000e-03 -2.2689000000e-03 -4.7800000000e-05 -5.3720000000e-03  4.5259000000e-03 -8.8270000000e-04 -2.5210000000e-04  3.8105000000e-03 -6.1853000000e-03  8.6808000000e-03 -3.6247000000e-03  1.0730500000e-02  2.7594000000e-03 -2.3576000000e-03  5.0541000000e-03 -1.5856000000e-03  2.6946000000e-03 -9.0766000000e-03 -3.1130000000e-04 -2.6391000000e-03  1.7549000000e-03 -8.1628000000e-03 -1.2673000000e-03 -4.4929000000e-03 -1.7311000000e-03 -1.7886000000e-03 -2.3057000000e-03  1.0756600000e-02  1.0013900000e-02  6.8656000000e-03 -9.5982000000e-03  4.6368000000e-03  1.0762100000e-02 -5.8434000000e-03 -3.2346000000e-03  3.8137000000e-03  1.2571800000e-02 -3.9374000000e-03 -1.7697000000e-02  7.7870000000e-03  7.3147000000e-03 -4.0144000000e-03 -1.6735200000e-02 -1.3006600000e-02  7.4317000000e-03  5.7382000000e-03  2.4476000000e-03 -1.7736000000e-03  4.5075000000e-03 -2.3977000000e-03  6.5279000000e-03 -7.6441000000e-03  7.1327000000e-03 -1.2789300000e-02  6.4767000000e-03  3.9200000000e-05  4.5896000000e-03  2.2475000000e-03  3.9625000000e-03  9.1850000000e-04 -3.5844000000e-03 -1.1194700000e-02  1.6248000000e-03  2.2255000000e-03  2.9932000000e-03  2.0540000000e-04

JOB 36
COORDS  -2.7361500000e+00  9.5368000000e-01  9.7267000000e-01 -2.9921800000e+00  8.1474000000e-01  6.0870000000e-02 -2.4954700000e+00  8.3160000000e-02  1.2896800000e+00  2.7812000000e-01  2.2545000000e-01  1.7944300000e+00  3.8148000000e-01  1.4666000000e-01  8.4609000000e-01 -1.8726000000e-01  1.0528500000e+00  1.9171900000e+00  6.9109000000e-01 -7.2419000000e-01 -1.7081000000e+00  1.5729200000e+00 -7.0954000000e-01 -1.3361000000e+00  6.6379000000e-01 -1.5265600000e+00 -2.2293300000e+00  2.2142400000e+00  1.5823400000e+00  3.2444900000e+00  1.4907400000e+00  1.0355900000e+00  2.9381600000e+00  1.8431600000e+00  2.0886800000e+00  3.9670900000e+00  4.5744400000e+00  7.3457000000e-01  1.9360600000e+00  4.0799200000e+00  1.0369600000e+00  2.6978000000e+00  4.9475000000e+00 -1.0349000000e-01  2.2093700000e+00 -2.0586700000e+00 -2.3236300000e+00 -1.3043400000e+00 -2.2355300000e+00 -2.6056100000e+00 -4.0688000000e-01 -2.2731400000e+00 -1.3907800000e+00 -1.3094600000e+00  3.4147500000e+00 -1.7248000000e-01 -4.0658000000e-01  4.2986200000e+00  1.3115000000e-01 -6.1350000000e-01  3.3305100000e+00 -4.0300000000e-02  5.3770000000e-01 -1.0197900000e+00  2.7573600000e+00  1.8582800000e+00 -1.2967400000e+00  3.0287800000e+00  2.7334100000e+00 -1.7464900000e+00  2.2278200000e+00  1.5300500000e+00  4.7020000000e-02 -2.9997100000e+00 -3.1019200000e+00 -1.3053000000e-01 -3.8331600000e+00 -3.5378800000e+00 -7.4756000000e-01 -2.8171800000e+00 -2.6003500000e+00 -1.7409700000e+00 -1.6533200000e+00  1.7808700000e+00 -9.6636000000e-01 -1.1143200000e+00  1.9411500000e+00 -1.7022500000e+00 -2.3347200000e+00  2.4520000000e+00 -6.6720000000e-01  1.0809500000e+00 -3.2472700000e+00 -3.4730000000e-01  4.8387000000e-01 -2.5709700000e+00 -3.4002000000e-01  7.1183000000e-01 -4.0675900000e+00 -2.9734500000e+00  6.7933000000e-01 -1.9132400000e+00 -2.1336400000e+00  1.0445900000e+00 -2.1916600000e+00 -3.3724700000e+00  3.5303000000e-01 -2.7198000000e+00
ENERGY -9.171780992987e+02
EMD0 -3.347530890000e+02
FORCES  -3.0820000000e-04  1.9348000000e-03 -1.7800000000e-03  5.0931000000e-03 -6.2973000000e-03  1.3020600000e-02  2.8912000000e-03  8.8857000000e-03 -7.7973000000e-03  1.6640000000e-03  1.4919900000e-02 -3.5823000000e-03 -6.1764000000e-03  1.2856000000e-03  6.9914000000e-03  7.3799000000e-03 -2.0152800000e-02  1.1180000000e-03  2.9486000000e-03 -3.1110000000e-03 -4.7156000000e-03 -1.1941000000e-02 -1.0036300000e-02 -3.6965000000e-03  8.8160000000e-04  9.2872000000e-03  4.8907000000e-03 -3.7773000000e-03 -3.5122000000e-03 -1.2763200000e-02 -6.4740000000e-04  9.6796000000e-03  1.3175800000e-02 -5.1606000000e-03 -4.8555000000e-03 -1.7596000000e-03 -3.7659000000e-03  1.0858200000e-02 -9.2500000000e-05  1.3029100000e-02 -1.0736700000e-02 -1.8164000000e-03 -6.3475000000e-03  1.8864000000e-03  5.4090000000e-04  3.2200000000e-03  3.1596000000e-03  4.5425000000e-03 -5.1781000000e-03  2.2632000000e-03 -4.6572000000e-03  6.7580000000e-04 -9.6149000000e-03  3.4381000000e-03  7.9492000000e-03  9.2943000000e-03  7.8922000000e-03  1.2442000000e-03 -2.5906000000e-03  1.6431000000e-03 -3.1221000000e-03 -7.4747000000e-03 -6.0965000000e-03 -1.3441700000e-02  1.2928000000e-03 -1.4839500000e-02 -2.1633000000e-03 -6.4992000000e-03 -1.5936000000e-03  1.6440200000e-02  6.4734000000e-03  1.4903200000e-02  1.1815000000e-03  2.8857000000e-03  5.4614000000e-03 -7.3499000000e-03  6.2710000000e-04  3.3063000000e-03  1.2826900000e-02 -2.4582000000e-03 -1.3276800000e-02  8.2897000000e-03  7.6178000000e-03 -7.8060000000e-04 -1.6920400000e-02 -1.0080000000e-02  2.8493000000e-03  6.6109000000e-03  2.7665000000e-03 -3.4340000000e-04  8.0001000000e-03 -4.7092000000e-03  5.8071000000e-03 -2.0101100000e-02  7.5485000000e-03 -9.3491000000e-03  9.7600000000e-04 -2.6156000000e-03  2.3732000000e-03  6.9826000000e-03  1.0982200000e-02 -1.2326600000e-02 -5.5268000000e-03 -8.0668000000e-03  9.6253000000e-03  3.6429000000e-03 -8.3770000000e-04 -3.1220000000e-04

JOB 37
COORDS  -3.7543800000e+00  6.6616000000e-01  2.0905000000e-01 -3.5687800000e+00  4.5208000000e-01 -7.0526000000e-01 -3.3248700000e+00 -2.7330000000e-02  7.0986000000e-01 -4.6170000000e-02  1.1006500000e+00  1.2820500000e+00  2.7384000000e-01  5.3632000000e-01  5.7824000000e-01 -4.7844000000e-01  1.8256100000e+00  8.3060000000e-01  1.1799500000e+00 -3.2298000000e-01 -8.7361000000e-01  2.0418900000e+00  6.4840000000e-02 -1.0249100000e+00  1.3033100000e+00 -1.2565100000e+00 -1.0454500000e+00  3.7688200000e+00  9.5369000000e-01  3.6537000000e+00  3.1834600000e+00  1.3509800000e+00  3.0089100000e+00  4.4710000000e+00  1.5942300000e+00  3.7671700000e+00  5.1925600000e+00 -4.9009000000e-01  1.7864300000e+00  5.4625200000e+00 -1.2991200000e+00  2.2209600000e+00  4.6325900000e+00 -4.9650000000e-02  2.4257100000e+00 -2.4347900000e+00 -2.3833300000e+00 -1.2083700000e+00 -2.6401600000e+00 -2.1639500000e+00 -2.9957000000e-01 -2.9174700000e+00 -1.7387400000e+00 -1.7258200000e+00  4.5132600000e+00  2.6846000000e-01 -7.5895000000e-01  5.4482700000e+00  3.1491000000e-01 -9.5856000000e-01  4.4722100000e+00 -1.4513000000e-01  1.0330000000e-01 -2.0306300000e+00  2.9355400000e+00  9.6360000000e-02 -2.5536700000e+00  3.6948400000e+00 -1.6079000000e-01 -2.6603300000e+00  2.2164100000e+00  1.4707000000e-01  3.2711000000e-01 -2.9190700000e+00 -1.8358400000e+00  2.3671000000e-01 -3.7899300000e+00 -1.4489600000e+00 -5.3593000000e-01 -2.5187800000e+00 -1.7302200000e+00 -2.2219600000e+00 -6.8331000000e-01  2.1327500000e+00 -1.4774500000e+00 -2.4555000000e-01  1.7200600000e+00 -2.0964200000e+00 -5.3759000000e-01  3.0704200000e+00 -9.5031000000e-01  1.0991600000e+00 -2.0960800000e+00 -8.5169000000e-01  2.0346100000e+00 -1.9187800000e+00 -1.0358000000e-01  7.1974000000e-01 -1.8608800000e+00 -3.6203400000e+00 -3.0156000000e-01 -2.3893300000e+00 -2.8700500000e+00  2.7703000000e-01 -2.5254600000e+00 -4.2130000000e+00 -1.0045000000e-01 -3.1135800000e+00
ENERGY -9.171770282541e+02
EMD0 -3.305034630000e+02
FORCES  -5.9873000000e-03 -9.4145000000e-03  4.6104000000e-03  1.1190100000e-02  2.7894000000e-03  7.0580000000e-03  4.4240000000e-04  4.4400000000e-04 -1.7925900000e-02  4.0905000000e-03  5.1714000000e-03 -3.3965000000e-03 -1.0709900000e-02  8.7600000000e-03  7.0420000000e-03  7.9445000000e-03 -1.0785700000e-02 -1.9801000000e-03 -3.8435000000e-03 -1.0629500000e-02 -9.8850000000e-04 -8.3260000000e-03 -5.5376000000e-03 -4.7690000000e-04  9.5973000000e-03  1.5027300000e-02  5.0251000000e-03 -4.8209000000e-03 -1.1374000000e-03  8.3786000000e-03  1.1018300000e-02 -1.0398000000e-03 -6.8690000000e-04 -3.0849000000e-03 -2.3029000000e-03 -6.6271000000e-03 -4.7862000000e-03  8.4977000000e-03  4.6267000000e-03 -2.3495000000e-03  3.2555000000e-03  3.7092000000e-03  7.0985000000e-03 -6.7908000000e-03 -1.0885200000e-02 -9.5236000000e-03  4.9347000000e-03 -7.4556000000e-03 -2.0033000000e-03  4.1408000000e-03 -5.6890000000e-03  6.3744000000e-03 -3.1280000000e-03  1.0663500000e-02  7.5968000000e-03 -2.5054000000e-03  8.4445000000e-03  1.9490000000e-04 -1.4198000000e-03  2.4070000000e-03 -4.6396000000e-03  4.2237000000e-03 -9.7742000000e-03 -6.3541000000e-03 -8.8273000000e-03  7.0313000000e-03 -3.9845000000e-03 -5.3253000000e-03 -2.4205000000e-03  9.6616000000e-03  1.8031900000e-02 -6.8963000000e-03 -1.1745500000e-02 -1.6060000000e-03 -3.6796000000e-03 -1.8201000000e-03  1.6212000000e-03  4.1320000000e-04  1.5136800000e-02 -2.7798000000e-03 -3.8150000000e-04  2.7666000000e-03  7.7752000000e-03  2.3483000000e-03 -1.2356300000e-02 -1.0507300000e-02  1.6108000000e-03  4.6551000000e-03  5.6460000000e-04 -1.1913000000e-03  8.8339000000e-03 -6.4228000000e-03  5.2039000000e-03  7.6344000000e-03 -4.4141000000e-03 -3.1075000000e-03 -6.1079000000e-03  1.6474300000e-02 -2.8730000000e-03  1.9192000000e-03 -8.6896000000e-03  7.9185000000e-03 -2.0573300000e-02 -3.7749000000e-03  1.1503000000e-03  6.8609000000e-03  5.3267000000e-03 -1.2057000000e-03

JOB 38
COORDS  -2.7528500000e+00  1.3911000000e+00 -2.5929000000e-01 -3.0893300000e+00  7.6056000000e-01 -8.9603000000e-01 -3.3614900000e+00  2.1283300000e+00 -3.0695000000e-01  5.7205000000e-01 -7.1473000000e-01  2.1571600000e+00  6.5391000000e-01 -1.0985300000e+00  1.2841000000e+00  4.1439000000e-01  2.1563000000e-01  1.9965100000e+00  9.8124000000e-01  6.9270000000e-01 -1.6394800000e+00  1.9183300000e+00  8.7649000000e-01 -1.5737700000e+00  9.0498000000e-01 -2.4009000000e-01 -1.4386900000e+00  2.5052400000e+00 -4.1837000000e-01  3.8244400000e+00  1.8029800000e+00 -5.6628000000e-01  3.1910500000e+00  2.0852500000e+00  5.5890000000e-02  4.5420200000e+00  4.2745100000e+00  4.2854000000e-01  1.4793600000e+00  5.1994000000e+00  6.4951000000e-01  1.5888200000e+00  3.9815800000e+00  1.8068000000e-01  2.3562800000e+00 -1.9720200000e+00 -2.0370900000e+00 -9.0765000000e-01 -2.2138400000e+00 -1.7357700000e+00 -3.1890000000e-02 -2.6452800000e+00 -1.6716500000e+00 -1.4815900000e+00  3.5985300000e+00  9.9186000000e-01 -1.1784400000e+00  3.7108500000e+00  1.9263700000e+00 -1.3525500000e+00  3.8106700000e+00  8.9349000000e-01 -2.5024000000e-01  4.7480000000e-02  1.6070100000e+00  8.6840000000e-01 -8.6259000000e-01  1.5573200000e+00  5.7593000000e-01  5.5999000000e-01  1.3449800000e+00  1.0361000000e-01  4.2489000000e-01 -1.6741400000e+00 -3.3323000000e-01  8.1592000000e-01 -2.5475700000e+00 -3.1231000000e-01 -4.8578000000e-01 -1.8249100000e+00 -5.8658000000e-01 -2.2352600000e+00 -6.7115000000e-01  1.7049800000e+00 -1.3665700000e+00 -7.0168000000e-01  2.1058300000e+00 -2.4587100000e+00  2.5943000000e-01  1.6870200000e+00 -1.4440700000e+00  6.0302000000e-01 -3.4483300000e+00 -7.2358000000e-01  8.5362000000e-01 -2.8701200000e+00 -1.0401700000e+00  3.1110000000e-02 -4.1010300000e+00 -3.9787300000e+00 -2.3808000000e-01 -2.1848500000e+00 -3.2727900000e+00 -6.4180000000e-02 -2.8074500000e+00 -4.6579300000e+00 -6.6661000000e-01 -2.7057000000e+00
ENERGY -9.171992911888e+02
EMD0 -3.687048460000e+02
FORCES  -2.5751000000e-03 -7.8958000000e-03 -7.6824000000e-03  3.3886000000e-03  7.4800000000e-03  6.9570000000e-04 -1.6198000000e-03 -3.4539000000e-03 -1.0360000000e-03  7.3831000000e-03  3.5619000000e-03 -1.9881900000e-02  2.6120000000e-04  6.4310000000e-03  1.3769900000e-02  8.2880000000e-04 -1.7955200000e-02  1.0330600000e-02  1.9815900000e-02 -6.0264000000e-03  5.8749000000e-03 -1.6236500000e-02 -7.3230000000e-04  1.3790000000e-03  2.8068000000e-03  1.1517900000e-02 -6.4134000000e-03 -2.0721800000e-02 -9.0208000000e-03 -1.3925900000e-02  1.1051200000e-02  1.1559700000e-02  1.3890700000e-02 -4.4663000000e-03 -8.4880000000e-04 -3.4786000000e-03 -1.1003800000e-02 -5.6689000000e-03  4.8147000000e-03 -3.3335000000e-03  7.8800000000e-05  2.8149000000e-03  1.7040800000e-02  4.5548000000e-03 -9.3307000000e-03  1.0198600000e-02  6.6193000000e-03  1.9369000000e-03  7.9777000000e-03 -5.9984000000e-03 -1.7989800000e-02  2.4946000000e-03 -3.2845000000e-03  5.6589000000e-03  1.0460000000e-04 -1.1262100000e-02  9.7532000000e-03 -3.5542000000e-03 -2.9394000000e-03  4.6314000000e-03  8.5620000000e-04  1.1937800000e-02 -1.6746800000e-02  7.8950000000e-04 -1.6006000000e-03 -1.6222800000e-02  9.0449000000e-03 -2.1372000000e-03  6.4947000000e-03 -3.7145000000e-03  9.2980000000e-04  1.3699800000e-02 -3.2032300000e-02  4.5912000000e-03 -5.7614000000e-03 -6.3048000000e-03  9.3390000000e-04  1.7783000000e-03  1.8687000000e-02 -2.3242000000e-03  1.2620000000e-02  5.7711000000e-03  2.5404000000e-03  2.1580000000e-03 -1.1164600000e-02  9.2754000000e-03 -4.5257000000e-03  7.0545000000e-03 -1.8890000000e-03  8.4543000000e-03  9.9245000000e-03  7.9778000000e-03  5.1730000000e-03 -8.3929000000e-03 -5.3478000000e-03 -1.2093700000e-02 -1.6640000000e-04  2.4920000000e-04  2.5777000000e-03 -2.0630000000e-03  9.6618000000e-03  4.2478000000e-03 -1.5832900000e-02 -1.1681900000e-02  8.2229000000e-03  7.7027000000e-03  1.6670000000e-04 -5.8882000000e-03

JOB 39
COORDS  -1.5413500000e+00  2.5679100000e+00  1.0779300000e+00 -1.8198100000e+00  1.9012700000e+00  4.5001000000e-01 -1.6750400000e+00  2.1617200000e+00  1.9342900000e+00  5.0230000000e-01 -6.7670000000e-02  2.8866300000e+00  1.4068700000e+00 -3.0404000000e-01  3.0918700000e+00  5.7851000000e-01  6.4410000000e-01  2.2511800000e+00  1.1463800000e+00  8.3907000000e-01 -2.2067700000e+00  1.5618400000e+00  6.2034000000e-01 -3.0409100000e+00  1.1811600000e+00  2.7060000000e-02 -1.7011400000e+00 -2.0630400000e+00  5.4969000000e-01  3.8168000000e+00 -1.2466200000e+00  3.4493000000e-01  3.3609900000e+00 -1.7846900000e+00  8.7972000000e-01  4.6711000000e+00  3.1818800000e+00 -8.6392000000e-01  1.7358700000e+00  3.9466400000e+00 -1.1631300000e+00  1.2440900000e+00  2.5069800000e+00 -7.2811000000e-01  1.0708200000e+00 -1.5216900000e+00 -3.1718700000e+00 -1.3486900000e+00 -1.1330000000e+00 -2.8053600000e+00 -5.5444000000e-01 -2.4379600000e+00 -2.8968500000e+00 -1.3164200000e+00  2.9140100000e+00  3.2733000000e-01 -4.5336900000e+00  3.3628200000e+00  7.2106000000e-01 -5.2818800000e+00  3.4983900000e+00 -3.7366000000e-01 -4.2450100000e+00  8.7602000000e-01  1.7831700000e+00  1.0320000000e+00 -1.8550000000e-02  2.0915800000e+00  8.8762000000e-01  1.3312900000e+00  1.9750700000e+00  2.1216000000e-01  1.1728500000e+00 -1.7367100000e+00 -1.3548900000e+00  6.9273000000e-01 -2.3926200000e+00 -1.8603700000e+00  8.5302000000e-01 -1.8428200000e+00 -4.5897000000e-01 -6.2912000000e-01 -1.8729400000e+00  8.5295000000e-01 -2.3182000000e-01 -1.5788000000e+00  1.6726200000e+00 -1.2032600000e+00 -1.1526900000e+00  5.9252000000e-01 -1.5782400000e+00  1.5617300000e+00 -1.9039600000e+00 -1.5385100000e+00  2.5121300000e+00 -2.0106400000e+00 -7.1215000000e-01  1.2538400000e+00 -2.1710500000e+00 -2.5523200000e+00  3.1560000000e-02  5.3190000000e-02 -2.3112900000e+00  4.1170000000e-01 -7.9158000000e-01 -3.3287900000e+00  5.2144000000e-01  3.2402000000e-01
ENERGY -9.171703953586e+02
EMD0 -3.298432700000e+02
FORCES   2.5035000000e-03 -1.3087000000e-03  1.6102000000e-03  7.0112000000e-03  3.4345000000e-03  5.6318000000e-03  8.1337000000e-03 -1.5339000000e-03 -1.0659500000e-02  7.1932000000e-03  1.3011900000e-02 -4.2109000000e-03 -4.4736000000e-03  3.5913000000e-03 -5.4103000000e-03 -1.0034700000e-02 -1.0748100000e-02  1.2743700000e-02  8.4442000000e-03 -1.3616300000e-02 -2.6329000000e-03 -5.4379000000e-03 -5.1116000000e-03  9.4430000000e-03  1.6361000000e-03  1.4536200000e-02 -2.7211000000e-03  5.9470000000e-03 -1.0431400000e-02  3.9119000000e-03 -9.0851000000e-03  1.1632900000e-02 -1.9183000000e-03  2.0859000000e-03  3.6700000000e-05 -2.7065000000e-03  2.8726000000e-03  9.7900000000e-05  2.3835000000e-03 -4.3456000000e-03  1.4868000000e-03 -3.4349000000e-03  4.2629000000e-03 -2.8998000000e-03  1.4607000000e-03  1.3021000000e-03  2.8000000000e-04  8.8098000000e-03 -2.5425000000e-03  4.5632000000e-03 -1.0840200000e-02  2.2477000000e-03  1.1129000000e-03  3.3792000000e-03 -3.2191000000e-03  3.5266000000e-03 -4.5560000000e-04  4.0495000000e-03 -5.7230000000e-03  2.1963000000e-03  9.3580000000e-04  3.7856000000e-03 -4.1765000000e-03 -1.9393500000e-02  7.2104000000e-03  7.1674000000e-03  1.2236000000e-02 -1.5736500000e-02 -2.5933000000e-03 -8.4000000000e-03  4.1322000000e-03  1.2193000000e-03 -1.0738200000e-02 -7.2770000000e-04  5.5140000000e-04  4.4405000000e-03  3.5190000000e-04  6.0201000000e-03  8.2319000000e-03  1.2691000000e-03 -1.0166200000e-02 -9.6938000000e-03  1.2313000000e-03  4.7370000000e-03 -4.6911000000e-03 -1.2201000000e-03 -1.2075400000e-02  1.3005800000e-02 -9.1371000000e-03  7.0400000000e-05  7.9374000000e-03 -7.1634000000e-03 -1.2100000000e-03  4.9109000000e-03 -2.4115000000e-03 -8.0440000000e-04 -1.9710200000e-02  8.6025000000e-03  3.4019000000e-03  1.1531000000e-03  1.3324000000e-03 -8.2634000000e-03 -4.9037000000e-03 -4.8609000000e-03  1.5722300000e-02  6.1279000000e-03  7.4036000000e-03 -6.1805000000e-03

JOB 40
COORDS   4.7040000000e-02  2.5716600000e+00  5.1390000000e-02 -8.7150000000e-01  2.5657200000e+00  3.2062000000e-01  4.4507000000e-01  3.2697100000e+00  5.7152000000e-01 -9.5342000000e-01 -4.4390000000e-01  2.2029100000e+00 -1.0030300000e+00 -6.0510000000e-02  3.0785700000e+00 -1.7750000000e-02 -5.7857000000e-01  2.0525500000e+00  2.8259000000e+00 -5.5138000000e-01 -1.3706000000e+00  3.0437400000e+00 -1.1644300000e+00 -6.6850000000e-01  2.2621900000e+00 -1.0522100000e+00 -1.9602000000e+00 -2.5174400000e+00  1.8075000000e+00  1.1619100000e+00 -2.3264000000e+00  9.6125000000e-01  1.5663600000e+00 -3.0262600000e+00  1.5907100000e+00  3.8067000000e-01  2.8242100000e+00 -1.9287800000e+00  1.4055100000e+00  2.0271600000e+00 -2.3044900000e+00  1.0316500000e+00  2.6515000000e+00 -9.8802000000e-01  1.4427300000e+00  3.5447100000e+00 -4.4163500000e+00  1.7744700000e+00  4.3643400000e+00 -4.4439200000e+00  1.2808300000e+00  3.3347800000e+00 -3.4847000000e+00  1.8392200000e+00 -3.3063900000e+00  3.3080700000e+00 -1.7128100000e+00 -2.4281300000e+00  3.1895500000e+00 -2.0745200000e+00 -3.1827200000e+00  3.9012000000e+00 -9.7178000000e-01  1.8013400000e+00  7.8268000000e-01  9.1846000000e-01  1.1683000000e+00  1.4373200000e+00  6.2359000000e-01  2.3922700000e+00  6.6799000000e-01  1.7423000000e-01  8.5211000000e-01 -2.7868200000e+00 -1.4300000000e-02  5.8764000000e-01 -3.7065200000e+00  6.7300000000e-03  4.8350000000e-02 -2.3106900000e+00 -2.2284000000e-01 -1.8142000000e+00 -1.7548900000e+00 -3.3719000000e-01 -1.7894400000e+00 -1.5169900000e+00  5.8964000000e-01 -2.4777800000e+00 -1.1779600000e+00 -7.1540000000e-01 -5.8830000000e-01  2.7130600000e+00 -2.5799000000e+00 -1.7270000000e-01  2.6220100000e+00 -1.7224500000e+00  1.4204000000e-01  2.7980900000e+00 -3.1927600000e+00 -2.7262900000e+00  5.8771000000e-01 -1.4655000000e+00 -1.9442000000e+00  2.5652000000e-01 -1.9069500000e+00 -3.0436900000e+00  1.2894300000e+00 -2.0339100000e+00
ENERGY -9.171646883810e+02
EMD0 -3.217132500000e+02
FORCES  -8.0670000000e-03 -1.2953000000e-02  1.6434000000e-03  1.9181000000e-02  1.4441200000e-02 -9.8322000000e-03 -3.3536000000e-03 -6.4858000000e-03  1.7626000000e-03  4.1647000000e-03  9.5700000000e-05 -3.1594000000e-03  2.7755000000e-03  1.7554000000e-03 -4.3958000000e-03 -7.2349000000e-03 -1.8780000000e-03  8.6102000000e-03 -1.6288000000e-03 -3.5031000000e-03  2.8833000000e-03 -4.1821000000e-03  8.8799000000e-03 -5.6190000000e-03  2.5715000000e-03 -1.0403000000e-03  1.1416000000e-03 -7.1590000000e-04 -9.5247000000e-03  1.3350000000e-04 -8.8721000000e-03  4.0242000000e-03 -1.0530000000e-03  1.5085000000e-03  3.1490000000e-04  9.2791000000e-03 -1.1510300000e-02 -1.3113500000e-02 -4.8850000000e-04  1.2528900000e-02  5.7417000000e-03  9.3653000000e-03 -2.6800000000e-04 -7.7441000000e-03 -1.0988900000e-02 -3.2950000000e-03  1.3334400000e-02  1.6828000000e-03 -1.1674000000e-03  2.8922000000e-03  2.4620000000e-04 -8.3710000000e-04 -8.6198000000e-03 -5.5576000000e-03  9.6190000000e-04 -5.0400000000e-05 -3.3778000000e-03 -1.1443100000e-02 -3.5477000000e-03  1.0777900000e-02  5.9485000000e-03 -1.0709000000e-03 -2.7637000000e-03 -1.1578400000e-02  8.1109000000e-03 -1.1642100000e-02  1.2925400000e-02  1.0552000000e-03  1.1158000000e-03 -1.1114000000e-03  2.9438000000e-03  9.6447000000e-03  4.0088000000e-03  7.4439000000e-03  4.1057000000e-03 -3.9525000000e-03  4.3160000000e-03 -1.1098000000e-03  1.0273700000e-02 -8.9667000000e-03  5.7893000000e-03 -6.5478000000e-03  5.8530000000e-03 -3.6204000000e-03 -4.9900000000e-04 -2.3285000000e-03 -9.6852000000e-03  5.4098000000e-03 -1.7905000000e-03  5.4101000000e-03  1.6203000000e-03  1.7785000000e-03  8.0668000000e-03 -2.2085000000e-03  1.0167000000e-03 -1.5007000000e-02  4.0045000000e-03 -1.6918000000e-03  7.1405000000e-03 -2.6698000000e-03  7.3061000000e-03  3.6544000000e-03 -7.1201000000e-03 -1.6358000000e-03 -7.4960000000e-04  1.0380000000e-02 -5.3593000000e-03 -3.4030000000e-03

JOB 41
COORDS  -1.0108600000e+00  3.9800800000e+00  6.7890000000e-02 -1.3314700000e+00  3.1133400000e+00  3.1731000000e-01 -1.6315400000e+00  4.5896100000e+00  4.6721000000e-01  1.3810600000e+00  6.9243000000e-01  1.6602100000e+00  2.3069700000e+00  6.1662000000e-01  1.4295800000e+00  1.0829600000e+00  1.4777800000e+00  1.2013000000e+00  3.4969600000e+00 -3.7196000000e-01 -6.0091000000e-01  2.5936800000e+00 -4.2573000000e-01 -9.1303000000e-01  3.9918800000e+00 -4.7310000000e-02 -1.3531600000e+00 -1.5938500000e+00  1.5411800000e+00  1.2268900000e+00 -2.2365500000e+00  9.5695000000e-01  8.2460000000e-01 -1.2962500000e+00  1.0707900000e+00  2.0056100000e+00  8.2051000000e-01 -5.9536300000e+00  9.4787000000e-01  1.0594900000e+00 -5.0774700000e+00  6.4542000000e-01  2.0470000000e-01 -6.2751600000e+00  2.8936000000e-01  2.6676900000e+00 -4.8885700000e+00  2.8010400000e+00  3.4859900000e+00 -5.0277000000e+00  2.3243200000e+00  2.0508900000e+00 -5.5032200000e+00  2.4035600000e+00 -3.8997900000e+00  1.8698900000e+00 -2.3970100000e+00 -3.2049500000e+00  2.5211700000e+00 -2.4932900000e+00 -4.2082800000e+00  1.7143300000e+00 -3.2896800000e+00  1.5858600000e+00  2.8619800000e+00 -1.6262000000e-01  8.1917000000e-01  3.4347200000e+00 -1.4278000000e-01  2.2848300000e+00  3.4089700000e+00 -5.2105000000e-01  1.3875900000e+00 -3.1153900000e+00  2.0439000000e-01  1.7775600000e+00 -2.9914700000e+00  1.0697200000e+00  1.1268900000e+00 -2.2360400000e+00 -6.9510000000e-02  3.5277000000e-01 -4.1899000000e-01 -5.4139000000e-01  7.2699000000e-01 -2.2320000000e-02  2.4528000000e-01 -5.9209000000e-01 -3.0138000000e-01 -4.4324000000e-01 -1.7866100000e+00  3.4360100000e+00 -2.7232100000e+00 -1.5487300000e+00  3.3953800000e+00 -1.7969300000e+00 -1.0216700000e+00  3.0898200000e+00 -3.1828300000e+00 -3.3171100000e+00  2.4374000000e-01 -3.5477000000e-01 -3.7709600000e+00  8.3574000000e-01 -9.5461000000e-01 -3.9927900000e+00 -3.6970000000e-01 -6.6020000000e-02
ENERGY -9.171597138350e+02
EMD0 -3.085707020000e+02
FORCES   3.2543000000e-03 -2.9387000000e-03  1.1760600000e-02 -1.4175000000e-03  1.7315200000e-02 -1.5649900000e-02 -3.3847000000e-03 -6.1254000000e-03  3.2950000000e-04  4.1263000000e-03  5.3699000000e-03 -8.2010000000e-04 -7.5495000000e-03  6.3170000000e-04 -1.3121000000e-03 -4.6950000000e-03 -1.4290500000e-02 -7.3870000000e-04  5.9940000000e-04 -3.3700000000e-03 -1.4579000000e-03  7.7653000000e-03  2.6219000000e-03  1.7659000000e-03 -4.4951000000e-03 -5.8650000000e-04 -8.6840000000e-04 -8.1471000000e-03 -1.7783000000e-03 -6.5514000000e-03  1.4485500000e-02  4.1560000000e-03  1.4822800000e-02 -7.3999000000e-03 -5.7734000000e-03 -4.9270000000e-03 -3.9810000000e-04  2.5974000000e-03  1.7239000000e-03 -2.0500000000e-05 -1.3393100000e-02  5.2419000000e-03  1.0379000000e-03  5.1063000000e-03 -2.5731000000e-03 -4.1997000000e-03 -4.6958000000e-03  2.7052000000e-03 -4.0108000000e-03 -1.5321000000e-03 -1.4677000000e-03  9.2320000000e-03  6.6722000000e-03 -1.1157000000e-03  1.6276500000e-02  7.1798000000e-03  7.1510000000e-04 -1.2271200000e-02 -8.4198000000e-03  3.5353000000e-03  4.0000000000e-03  3.9051000000e-03 -1.6232000000e-03 -2.5868000000e-03 -1.1457000000e-03  3.1283000000e-03  1.1998500000e-02 -5.5686000000e-03 -3.3786000000e-03 -5.6012000000e-03  3.8929000000e-03 -1.3891000000e-03 -3.4446000000e-03  7.3819000000e-03 -7.4080000000e-03 -4.5972000000e-03  3.1943000000e-03 -5.7696000000e-03  1.0344500000e-02 -6.4360000000e-03  1.0563400000e-02  7.7870000000e-04  1.1409800000e-02  1.1350900000e-02 -4.1332000000e-03 -4.0104000000e-03 -1.3636200000e-02  4.5337000000e-03  2.1298000000e-03  5.9763000000e-03 -2.1573000000e-03  2.0616000000e-03  2.8645000000e-03 -6.0502000000e-03 -1.2048300000e-02 -1.1569200000e-02  4.6050000000e-04  1.1397000000e-03  5.1924000000e-03  2.1625000000e-03  1.2572000000e-02 -1.4317200000e-02 -1.9573000000e-03 -1.2100500000e-02  1.8411800000e-02 -2.5388000000e-03  4.8754000000e-03 -3.5149000000e-03

JOB 42
COORDS  -1.1637300000e+00  4.6091300000e+00  5.9120000000e-02 -1.2224900000e+00  3.7708800000e+00  5.1750000000e-01 -2.0119000000e+00  5.0258700000e+00  2.1134000000e-01  1.8082400000e+00  2.1956800000e+00  1.2380700000e+00  1.9718400000e+00  2.3507800000e+00  2.1683400000e+00  1.8496500000e+00  3.0647200000e+00  8.3896000000e-01  9.6282000000e-01  7.1787000000e-01 -1.3032700000e+00  1.4259300000e+00  1.4961200000e+00 -1.6132700000e+00  1.1460900000e+00  6.8767000000e-01 -3.6427000000e-01 -1.0037200000e+00  2.2535300000e+00  1.2918600000e+00 -1.3002200000e+00  1.4531600000e+00  1.7251300000e+00 -5.4980000000e-02  2.1495600000e+00  1.2188500000e+00 -7.5599000000e-01 -3.4556600000e+00  3.4890000000e-02 -1.6771500000e+00 -3.3326800000e+00 -1.9440000000e-01 -2.7348000000e-01 -3.1064600000e+00 -7.1443000000e-01  8.2709000000e-01 -5.0298400000e+00  1.7157500000e+00  3.0291000000e-01 -5.5213400000e+00  2.3481300000e+00  1.8679000000e-01 -4.5260500000e+00  1.2133100000e+00 -2.8453000000e+00 -9.7409000000e-01 -1.1314400000e+00 -2.4619300000e+00 -1.6287000000e-01 -1.4648800000e+00 -2.5292900000e+00 -1.6520800000e+00 -1.7286800000e+00  1.7911400000e+00  4.6557800000e+00  3.0361000000e-01  8.5235000000e-01  4.6135900000e+00  1.2160000000e-01  2.0608700000e+00  5.5136100000e+00 -2.4400000000e-02  1.2100000000e+00 -2.1176300000e+00 -1.7372700000e+00  1.3699000000e+00 -1.1805200000e+00 -1.6255000000e+00  1.8467800000e+00 -2.5401600000e+00 -1.1609000000e+00  2.6245800000e+00 -3.7429700000e+00  9.4900000000e-03  2.2499100000e+00 -4.5222200000e+00  4.2013000000e-01  3.4856100000e+00 -3.6476300000e+00  4.1663000000e-01 -1.6674600000e+00  1.1846500000e+00 -2.0483600000e+00 -1.6826000000e+00  2.0076500000e+00 -1.5598100000e+00 -7.5545000000e-01  8.9711000000e-01 -2.0059000000e+00 -1.8561700000e+00 -3.7449000000e-01  1.5089300000e+00 -2.4301900000e+00 -4.9544000000e-01  7.5255000000e-01 -1.2481900000e+00 -1.1127500000e+00  1.4692800000e+00
ENERGY -9.171831198748e+02
EMD0 -3.464229550000e+02
FORCES  -2.4568000000e-03 -8.5083000000e-03  7.6395000000e-03  2.9037000000e-03  1.6605100000e-02 -9.7400000000e-03 -2.0868000000e-03 -6.3846000000e-03  2.3597000000e-03  8.6269000000e-03  1.3489600000e-02 -4.1798000000e-03 -2.5045000000e-03  4.3043000000e-03 -2.5305000000e-03 -1.2833300000e-02 -1.2020400000e-02  6.5979000000e-03 -3.5721000000e-03 -5.4630000000e-04  3.6018000000e-03 -3.7264000000e-03 -1.0216000000e-03  3.3339000000e-03  1.9395000000e-03 -1.7030000000e-03 -9.6323000000e-03 -1.0516000000e-03 -1.0076700000e-02  8.6380000000e-04  1.2732200000e-02  1.2160100000e-02  2.7540000000e-03 -1.2064500000e-02  2.1194000000e-03 -1.9320000000e-04  8.7988000000e-03  9.2600000000e-04 -3.0136000000e-03  4.0856000000e-03  2.1887000000e-03 -5.3226000000e-03 -1.5886900000e-02 -8.4878000000e-03  7.1592000000e-03 -1.3812000000e-03  6.0787000000e-03 -6.0253000000e-03 -5.0865000000e-03  4.5247000000e-03 -2.0593000000e-03  6.7145000000e-03 -1.1552400000e-02  1.0665000000e-02  5.6174000000e-03  2.0311600000e-02 -9.1838000000e-03 -2.6840000000e-03 -1.9898400000e-02  6.2085000000e-03  2.3155000000e-03  2.5210000000e-03  5.6920000000e-04  1.2747000000e-03 -2.8826000000e-03  5.0045000000e-03  1.7208100000e-02 -6.4591000000e-03  4.6380000000e-04 -6.8416000000e-03  8.2500000000e-04 -1.6589000000e-03  6.0790000000e-03  1.0470000000e-04 -1.1172000000e-03  6.8020000000e-03 -9.2598000000e-03  5.7384000000e-03 -6.7631000000e-03  1.4988000000e-02 -4.7880000000e-03 -1.0633500000e-02 -2.8237000000e-03  2.7832000000e-03  1.0997200000e-02  4.6840000000e-03 -5.4307000000e-03 -1.4757000000e-03 -3.4843000000e-03  1.0509000000e-03  4.0028000000e-03 -5.9210000000e-03  5.0839000000e-03  3.9896000000e-03 -2.2436000000e-03 -3.4100000000e-03 -1.0941800000e-02  3.9063000000e-03 -3.2671000000e-03 -4.7736000000e-03 -1.5091000000e-03 -9.8494000000e-03  5.1703000000e-03  2.0501000000e-03  1.0364300000e-02 -2.4938000000e-03  2.9952000000e-03 -8.3990000000e-04

JOB 43
COORDS  -1.6803700000e+00  3.7152800000e+00 -2.1550900000e+00 -2.4480800000e+00  3.3509600000e+00 -2.5956800000e+00 -1.1834400000e+00  2.9497500000e+00 -1.8665600000e+00  1.3392900000e+00  3.2690900000e+00  1.0544500000e+00  2.2636500000e+00  3.5048200000e+00  9.7561000000e-01  8.8625000000e-01  3.8749400000e+00  4.6800000000e-01  1.7703500000e+00  3.9385000000e-01 -8.8092000000e-01  1.9512000000e+00 -3.9106000000e-01 -3.6377000000e-01  2.1631000000e+00  1.1078600000e+00 -3.7876000000e-01 -7.5871000000e-01  1.3793300000e+00  1.8403500000e+00 -3.8249000000e-01  5.7903000000e-01  2.2066900000e+00 -5.0100000000e-03  1.9470800000e+00  1.6795900000e+00 -1.6586500000e+00 -2.4164700000e+00  1.3240800000e+00 -2.2756400000e+00 -1.9892700000e+00  1.9182600000e+00 -1.8586000000e+00 -2.0468300000e+00  4.6407000000e-01 -9.4764000000e-01 -3.8948600000e+00 -7.0867000000e-01 -1.5253800000e+00 -4.6466300000e+00 -8.4015000000e-01 -1.3716100000e+00 -3.3840700000e+00 -1.9060000000e-02 -2.1312800000e+00 -9.5180000000e-01 -1.4696800000e+00 -1.6359300000e+00 -2.0036000000e-01 -1.1438000000e+00 -1.5192800000e+00 -1.4117400000e+00 -2.0442600000e+00 -9.1160000000e-02  5.1227900000e+00 -3.0104000000e-01 -6.1597000000e-01  4.8676500000e+00 -1.0597900000e+00 -7.3422000000e-01  5.3725700000e+00  3.6252000000e-01  2.7312700000e+00 -1.8285300000e+00  5.5742000000e-01  2.5896400000e+00 -2.5851100000e+00 -1.1570000000e-02  3.6693500000e+00 -1.6502900000e+00  4.9066000000e-01  1.6710800000e+00 -4.7679400000e+00 -3.8265000000e-01  7.9652000000e-01 -4.4317900000e+00 -5.7859000000e-01  1.5175300000e+00 -5.5096900000e+00  2.0255000000e-01 -9.8358000000e-01  1.3214400000e+00 -9.6277000000e-01 -9.9516000000e-01  1.2843100000e+00 -6.3600000000e-03 -1.5009000000e-01  9.1997000000e-01 -1.2084500000e+00  7.0837000000e-01 -1.2267600000e+00  2.0825800000e+00 -6.7280000000e-02 -1.7044400000e+00  1.7885900000e+00  1.4368000000e+00 -1.6477000000e+00  1.6260300000e+00
ENERGY -9.171687850947e+02
EMD0 -3.313672570000e+02
FORCES  -8.0470000000e-04 -8.2261000000e-03  5.2890000000e-03  2.4086000000e-03 -4.2338000000e-03 -1.7550000000e-04 -1.1383000000e-03  1.2884900000e-02 -8.9734000000e-03 -1.1084600000e-02  1.3405300000e-02 -3.3379000000e-03 -2.3686000000e-03  1.6995000000e-03 -5.8923000000e-03  1.3946600000e-02 -1.1949100000e-02  9.4602000000e-03  3.7172000000e-03 -7.1606000000e-03  5.8858000000e-03  4.1090000000e-04  1.0127300000e-02 -4.9247000000e-03  3.8169000000e-03 -6.6105000000e-03 -5.1060000000e-04  7.2204000000e-03  1.5627000000e-03  8.2445000000e-03 -6.0686000000e-03  9.0625000000e-03 -1.2735000000e-03 -1.0056700000e-02 -1.1121100000e-02 -2.7044000000e-03  3.7415000000e-03 -4.9455000000e-03 -6.3159000000e-03  2.9834000000e-03  2.1905000000e-03 -4.9374000000e-03  8.2410000000e-03 -2.3964200000e-02  1.1335000000e-02 -1.0997000000e-03  7.6813000000e-03  9.8767000000e-03 -7.3600000000e-05  2.5407000000e-03  4.6045000000e-03 -6.1399000000e-03  1.2714100000e-02 -3.6546000000e-03  8.3970000000e-04  2.8238600000e-02 -6.7005000000e-03  6.8681000000e-03 -1.9982600000e-02  9.3400000000e-04  3.0202000000e-03  6.4736000000e-03  4.1169000000e-03 -2.5670000000e-03 -2.0222000000e-03 -7.0221000000e-03  6.3505000000e-03  3.6845000000e-03  1.2165300000e-02 -1.7110000000e-04 -2.2334000000e-03 -3.1312000000e-03 -1.0009200000e-02  1.3592000000e-03  1.3133200000e-02  5.0717000000e-03  1.4470300000e-02  1.4432000000e-03 -3.1719000000e-03 -2.8748000000e-03 -5.7082000000e-03 -9.5552000000e-03 -7.2140000000e-04 -2.4942000000e-03  1.2919900000e-02 -6.9756000000e-03  4.1039000000e-03 -5.0893000000e-03  8.4520000000e-04 -2.1108000000e-03 -1.1537000000e-03  4.3590000000e-04  1.3955100000e-02  1.8402000000e-03 -6.8834000000e-03 -2.2785400000e-02 -1.9928800000e-02 -2.8487000000e-03 -2.6130000000e-04  9.1997000000e-03 -6.3822000000e-03 -5.0335000000e-03  8.6179000000e-03  5.2278000000e-03 -2.7421000000e-03 -1.0733600000e-02 -5.4688000000e-03 -3.8578000000e-03

JOB 44
COORDS   8.2055000000e-01  1.9407500000e+00 -2.2332300000e+00  1.2463200000e+00  2.2648000000e+00 -1.4395400000e+00  8.9945000000e-01  9.8852000000e-01 -2.1762000000e+00 -1.7189000000e-01  4.3452500000e+00  1.0242900000e+00 -9.3238000000e-01  4.7555000000e+00  1.4360800000e+00 -2.0498000000e-01  4.6380900000e+00  1.1359000000e-01  2.2367100000e+00  2.9542700000e+00  6.8580000000e-01  1.9045700000e+00  2.2040200000e+00  1.1787900000e+00  1.5874600000e+00  3.6426800000e+00  8.3006000000e-01 -3.6068000000e-01  1.6580600000e+00  2.2208800000e+00  5.2554000000e-01  1.2992500000e+00  2.2665300000e+00 -2.3304000000e-01  2.6033100000e+00  2.1405700000e+00 -2.3108800000e+00 -3.6355000000e+00  1.0595000000e+00 -2.6008000000e+00 -3.5032700000e+00  1.9621000000e+00 -2.7438200000e+00 -2.9402600000e+00  5.6408000000e-01 -9.4949000000e-01 -4.7277400000e+00 -1.6087400000e+00 -1.4136000000e+00 -4.2066200000e+00 -9.5355000000e-01 -1.5525800000e+00 -4.7728600000e+00 -2.3506700000e+00 -3.0275600000e+00 -1.4395100000e+00 -4.0674000000e-01 -2.2054400000e+00 -1.0167100000e+00 -1.5859000000e-01 -3.6649100000e+00 -7.2599000000e-01 -4.3663000000e-01 -8.1020000000e-02  4.6383200000e+00 -1.5196300000e+00  1.7543000000e-01  3.8275500000e+00 -1.9590900000e+00 -4.9704000000e-01  5.1614500000e+00 -2.2048300000e+00  1.3553900000e+00 -2.3676800000e+00  7.1084000000e-01  1.3597000000e+00 -2.8038100000e+00 -1.4122000000e-01  1.1112400000e+00 -3.0547900000e+00  1.3309100000e+00  1.2545700000e+00 -3.3040300000e+00 -1.7036000000e+00  4.4026000000e-01 -3.7676500000e+00 -1.8990300000e+00  1.4431800000e+00 -2.8048600000e+00 -2.4982600000e+00 -7.3345000000e-01 -4.5882000000e-01  1.7317000000e-01 -6.0853000000e-01  2.1866000000e-01  8.3773000000e-01  1.2223000000e-01 -8.8103000000e-01  9.7090000000e-02  2.0457400000e+00  3.4280000000e-01  1.6369500000e+00  2.9754800000e+00  2.1803000000e-01  1.4465200000e+00  1.6417600000e+00 -4.9784000000e-01  1.4216500000e+00
ENERGY -9.171658095414e+02
EMD0 -3.131290930000e+02
FORCES  -1.4408000000e-03 -3.6522000000e-03  3.7500000000e-05 -9.2753000000e-03 -1.1823000000e-03 -1.0473500000e-02  5.6173000000e-03  1.5252000000e-03  2.5712000000e-03  5.9401000000e-03 -1.2228000000e-03 -2.3053100000e-02 -1.1295000000e-03 -2.9200000000e-04 -6.5626000000e-03 -2.2324000000e-03  2.3123000000e-03  1.8604600000e-02 -1.6640000000e-04  1.1278000000e-03  8.4406000000e-03 -3.6727000000e-03  7.2804000000e-03  1.6973000000e-03  1.8067000000e-03 -8.7339000000e-03 -2.5937000000e-03  1.1857000000e-03  6.7492000000e-03 -7.4290000000e-04 -6.9805000000e-03  5.1961000000e-03 -7.6645000000e-03  6.0794000000e-03 -7.5936000000e-03  8.5979000000e-03 -3.4685000000e-03  7.6030000000e-03 -3.4093000000e-03 -2.8459000000e-03  4.1516000000e-03 -2.2431000000e-03  6.3762000000e-03 -1.2401200000e-02  9.2129000000e-03  3.5634000000e-03 -4.7425000000e-03  8.4959000000e-03  3.1660000000e-03  1.3569000000e-03 -1.4533100000e-02  9.1530000000e-04  4.4734000000e-03  3.0043000000e-03  2.1345400000e-02  5.3271000000e-03  3.2752000000e-03 -2.1491000000e-02 -3.7118000000e-03 -1.1892000000e-03  5.7400000000e-03  4.0117000000e-03  1.6254000000e-03  2.1275000000e-03 -7.0233000000e-03  1.3984200000e-02 -3.7530000000e-04  1.1328000000e-02  7.5670000000e-04  9.8710000000e-04 -5.1219000000e-03 -2.6312000000e-03 -1.7968000000e-03 -9.6438000000e-03 -2.1468400000e-02 -4.4560000000e-03  2.4010000000e-03  2.1496600000e-02  3.2556000000e-03 -3.5915000000e-03 -5.6474000000e-03 -1.1862600000e-02 -1.0972000000e-02  1.3093000000e-02  1.3964300000e-02  1.7445700000e-02 -6.2376000000e-03 -7.4482000000e-03 -3.7155000000e-03 -1.9490000000e-03 -1.0114600000e-02 -8.0899000000e-03  2.0055000000e-03  8.9115000000e-03 -1.4821100000e-02 -6.4566000000e-03  1.0460000000e-03  1.5264200000e-02  1.0307000000e-03 -1.5820000000e-03 -1.0460000000e-03 -1.1900000000e-05 -3.2517000000e-03 -3.5859000000e-03 -2.2291000000e-03  1.5629000000e-03  1.3589800000e-02  1.1666000000e-03

JOB 45
COORDS   1.4235300000e+00  2.3596000000e-01 -2.0905300000e+00  1.7213000000e+00  1.0192500000e+00 -1.6279000000e+00  2.0039000000e+00  1.6995000000e-01 -2.8488600000e+00  2.0450000000e-02  3.1583500000e+00  4.8428000000e-01 -2.8290000000e-01  2.8954400000e+00  1.3532400000e+00 -3.3674000000e-01  2.4945200000e+00 -1.0562000000e-01  2.4497000000e+00  2.5500500000e+00 -5.3391000000e-01  2.8638000000e+00  3.3056000000e+00 -9.5091000000e-01  1.6307100000e+00  2.8925200000e+00 -1.7584000000e-01 -2.1320000000e-01  1.9851300000e+00  2.9440500000e+00 -1.1936000000e-01  2.7627500000e+00  3.4942600000e+00  6.8543000000e-01  1.7143900000e+00  2.7559400000e+00 -2.8731200000e+00 -1.3750800000e+00 -2.1598000000e+00 -3.4246000000e+00 -6.0627000000e-01 -2.3048000000e+00 -2.9428700000e+00 -1.5467900000e+00 -1.2207100000e+00 -9.0857000000e-01 -3.3167000000e+00 -2.7484400000e+00 -1.4783600000e+00 -2.6131700000e+00 -2.4376300000e+00 -1.4640100000e+00 -4.0962300000e+00 -2.7412800000e+00 -3.1098400000e+00 -1.5725000000e+00  6.3443000000e-01 -2.3466300000e+00 -1.1984400000e+00  1.0746700000e+00 -3.5242300000e+00 -2.1230400000e+00  1.2988200000e+00 -1.3483800000e+00  1.1961700000e+00 -7.7490000000e-01 -1.4679600000e+00  6.6613000000e-01  1.3130000000e-02 -9.9226000000e-01  5.8726000000e-01 -1.4219200000e+00  1.6525300000e+00 -1.5930300000e+00  1.5718200000e+00  1.7113700000e+00 -1.9036200000e+00  6.6833000000e-01  2.1924700000e+00 -2.2052500000e+00  2.0717000000e+00  1.4244100000e+00 -2.2820400000e+00 -1.1296500000e+00  7.2232000000e-01 -2.7622500000e+00 -1.5686200000e+00  1.2766400000e+00 -1.3674900000e+00 -1.3704800000e+00 -9.5111000000e-01 -4.2982000000e-01  1.6925000000e+00 -9.5511000000e-01  3.2544000000e-01  2.2805400000e+00 -7.8940000000e-02 -8.1027000000e-01  1.7964200000e+00  2.3953800000e+00  1.4419500000e+00  2.0409900000e+00  2.6183800000e+00  1.8923900000e+00  1.2263800000e+00  2.6080100000e+00  5.2382000000e-01  1.8735100000e+00
ENERGY -9.172134659768e+02
EMD0 -3.997262610000e+02
FORCES   1.7446000000e-03 -9.3980000000e-04  5.6777000000e-03 -3.0743000000e-03 -9.9233000000e-03 -1.1367000000e-02  1.7160000000e-03  4.4376000000e-03  3.7934000000e-03 -1.4075300000e-02 -1.2684600000e-02  6.5458000000e-03 -7.4520000000e-04  2.8535000000e-03 -8.3419000000e-03  1.5407600000e-02  6.9927000000e-03  1.1369000000e-02 -1.2891600000e-02  4.6857000000e-03  9.7763000000e-03 -6.0696000000e-03  1.5938000000e-03  2.0371000000e-03  2.3907800000e-02 -7.0490000000e-03 -1.2670400000e-02  9.4196000000e-03 -5.5970000000e-03 -3.8437000000e-03  5.8174000000e-03  2.5000000000e-04 -6.0244000000e-03 -2.1764900000e-02  6.4529000000e-03  7.7505000000e-03 -2.7585000000e-03 -3.0820000000e-04  3.0995000000e-03 -1.9126000000e-03 -1.6125000000e-03  5.0826000000e-03  4.8433000000e-03  3.1061000000e-03 -1.6894900000e-02 -6.9120000000e-03  5.1965000000e-03 -6.6500000000e-03  7.6047000000e-03 -1.2492400000e-02  6.9419000000e-03 -2.6992000000e-03  3.2311000000e-03  1.6353000000e-03  1.0719200000e-02  7.6375000000e-03  3.8671000000e-03 -1.5001900000e-02 -7.7620000000e-03 -4.7433000000e-03  5.0432000000e-03  2.5195000000e-03  4.4165000000e-03 -6.3370000000e-04 -9.8060000000e-04  3.5430000000e-03  2.4810000000e-04  5.4771000000e-03 -8.3318000000e-03 -2.9517000000e-03  9.6850000000e-04  6.7744000000e-03 -5.4650000000e-03 -6.7639000000e-03 -1.4241000000e-02  6.6657000000e-03  6.1792000000e-03  2.2532200000e-02  1.8382000000e-03 -3.0800000000e-04 -5.8819000000e-03 -1.9990000000e-03  3.8066000000e-03 -1.2148800000e-02  5.7123000000e-03  1.2236700000e-02  4.0358000000e-03 -4.6938000000e-03 -1.3199000000e-02  6.5150000000e-03  5.6965000000e-03 -5.5178000000e-03  3.2200000000e-04  5.3963000000e-03 -9.5505000000e-03 -6.6911000000e-03 -1.3074900000e-02  1.2281600000e-02  5.5214000000e-03  2.9451000000e-03  3.5136000000e-03 -9.5351000000e-03 -1.7823000000e-03 -7.5755000000e-03  8.1874000000e-03  3.7796000000e-03  8.8439000000e-03 -2.0585000000e-03

JOB 46
COORDS   3.3194500000e+00 -1.2142500000e+00 -4.1500800000e+00  3.4205300000e+00 -3.5015000000e-01 -4.5492600000e+00  3.9066100000e+00 -1.1996200000e+00 -3.3942600000e+00  2.9534300000e+00  1.0491000000e+00 -1.6921300000e+00  2.7818900000e+00  2.3199000000e-01 -1.2240100000e+00  2.1100900000e+00  1.5017600000e+00 -1.7017500000e+00 -4.1914000000e-01  5.7432000000e+00  2.4689000000e+00 -4.4300000000e-01  6.5987300000e+00  2.0402600000e+00 -1.0209100000e+00  5.8284200000e+00  3.2083900000e+00  1.3576100000e+00  6.5574000000e-01  3.0192800000e+00  2.2740000000e+00  8.9719000000e-01  3.1540200000e+00  9.9785000000e-01  1.3661500000e+00  2.4881300000e+00 -2.7817600000e+00 -1.9692000000e-01 -1.3095700000e+00 -3.4055700000e+00  5.2744000000e-01 -1.2604700000e+00 -2.7744100000e+00 -5.6752000000e-01 -4.2705000000e-01 -4.6323600000e+00 -2.9392400000e+00 -2.0644300000e+00 -4.2356200000e+00 -2.0968400000e+00 -1.8426400000e+00 -4.9843800000e+00 -2.8141100000e+00 -2.9457100000e+00 -2.8326700000e+00 -3.5303000000e-01  1.4451900000e+00 -2.1135600000e+00 -8.7237000000e-01  1.8049100000e+00 -3.6134500000e+00 -6.8469000000e-01  1.8886100000e+00  1.8822000000e-01  2.8958000000e-01 -6.7312000000e-01  2.7634000000e-01 -1.2980000000e-01  1.8279000000e-01 -7.4577000000e-01  4.8452000000e-01 -7.4983000000e-01  1.2278900000e+00 -3.1642300000e+00  7.9809000000e-01  1.5810300000e+00 -2.4975500000e+00  2.0898000000e-01  6.1006000000e-01 -3.6579900000e+00  2.5889000000e-01  2.0079500000e+00 -1.7618600000e+00 -1.6461500000e+00  1.2442600000e+00 -1.1851800000e+00 -1.6250700000e+00  2.2059400000e+00 -1.8639600000e+00 -2.5770700000e+00 -5.2127000000e-01 -1.4924700000e+00  2.2876700000e+00 -2.2420000000e-02 -7.5389000000e-01  2.6368000000e+00  1.1620000000e-01 -1.9936200000e+00  1.7790300000e+00  2.1943000000e-01  3.1233200000e+00  1.5158800000e+00  2.5350000000e-02  3.9018200000e+00  2.0379000000e+00  4.4534000000e-01  3.4647600000e+00  6.5065000000e-01
ENERGY -9.171497080155e+02
EMD0 -2.713979500000e+02
FORCES  -1.9555000000e-03  3.4013000000e-03 -1.3701000000e-03  4.7086000000e-03 -2.3535000000e-03  1.0735000000e-03 -4.6716000000e-03 -1.2438000000e-03 -2.4396000000e-03 -3.9646000000e-03 -5.6009000000e-03  1.8598000000e-03 -1.2433000000e-03  6.3440000000e-03  1.6020000000e-04  2.9669000000e-03  1.3270000000e-04 -3.9400000000e-04  3.7298000000e-03 -3.1701000000e-03 -3.1667000000e-03 -4.2822000000e-03 -6.2600000000e-05  5.5110000000e-03  9.1640000000e-04  4.2013000000e-03 -3.9883000000e-03  6.0910000000e-04  1.5624000000e-03  3.5619000000e-03 -2.1865000000e-03  5.2094000000e-03 -2.7642000000e-03  7.9071000000e-03 -1.1991800000e-02  5.4626000000e-03  6.9080000000e-04 -8.5020000000e-04  1.2046000000e-02 -1.9560000000e-04 -2.9383000000e-03  7.8590000000e-04  4.2570000000e-04  1.5992000000e-03 -1.6377900000e-02  2.7913000000e-03 -1.7733000000e-03  1.2128000000e-03 -7.5701000000e-03 -4.2676000000e-03 -3.4660000000e-03  1.7474000000e-03  3.9324000000e-03  2.4256000000e-03  1.5460400000e-02 -1.8100000000e-04  6.3867000000e-03 -2.1256500000e-02  6.6457000000e-03 -4.8152000000e-03  4.4985000000e-03 -2.7219000000e-03  3.4420000000e-04 -8.1325000000e-03  4.1334000000e-03  6.9900000000e-05 -7.7480000000e-04 -1.6015000000e-03 -7.1486000000e-03  9.8032000000e-03  5.8900000000e-04  8.0923000000e-03  1.0674800000e-02 -8.0882000000e-03 -6.1610000000e-03 -1.2991700000e-02  2.5055000000e-03  1.0920100000e-02 -4.7740000000e-04  4.7946000000e-03  9.9530000000e-04  1.9986000000e-03  8.9320000000e-04 -1.0327200000e-02  1.0735000000e-02 -8.3635000000e-03 -9.0600000000e-05 -2.9999000000e-03  2.2721000000e-03  8.3410000000e-03  8.2313000000e-03 -1.1389300000e-02  3.6093000000e-03 -6.3837000000e-03 -5.5458000000e-03 -1.1839200000e-02 -5.8747000000e-03  1.9044200000e-02  2.7991000000e-03 -4.3101000000e-03  8.1368000000e-03  3.4210000000e-04  2.2767000000e-03 -7.3011000000e-03 -4.0839000000e-03 -9.0090000000e-04  4.0472000000e-03  2.4332000000e-03

JOB 47
COORDS   3.5244900000e+00 -6.3059000000e-01 -2.8283900000e+00  3.4830600000e+00 -1.2827000000e-01 -3.6421400000e+00  4.4476900000e+00 -8.6717000000e-01 -2.7391300000e+00  6.1733400000e+00 -1.5746200000e+00 -3.0312200000e+00  6.7607600000e+00 -2.1015600000e+00 -2.4894500000e+00  6.2304400000e+00 -1.9695600000e+00 -3.9012700000e+00 -3.4000400000e+00  3.3089700000e+00 -1.8480000000e-02 -4.0103500000e+00  3.9803100000e+00  2.8656000000e-01 -3.9604200000e+00  2.6166800000e+00 -3.6912000000e-01  7.2414000000e-01  2.2596800000e+00  2.8059800000e+00  6.1278000000e-01  3.1610900000e+00  3.1081400000e+00 -1.1792000000e-01  2.0331500000e+00  2.4112000000e+00 -2.7881800000e+00 -4.3954000000e-01 -5.1771000000e-01 -2.7547500000e+00 -7.5307000000e-01  3.8607000000e-01 -1.8814200000e+00 -2.1638000000e-01 -7.2800000000e-01 -5.1632400000e+00  7.5505000000e-01 -6.7550000000e-01 -4.3496300000e+00  2.5174000000e-01 -7.0642000000e-01 -5.5408000000e+00  6.5480000000e-01 -1.5493600000e+00 -1.8007200000e+00 -1.0859600000e+00  2.0655500000e+00 -1.0114600000e+00 -7.3525000000e-01  2.4782200000e+00 -1.9606600000e+00 -1.9139300000e+00  2.5184500000e+00 -1.6791000000e-01  3.4428000000e-01 -4.6450000000e-01  1.7653000000e-01 -1.1874000000e-01  2.9918000000e-01 -3.8020000000e-01  1.2191000000e+00 -1.3915000000e-01  2.3345900000e+00 -2.3894600000e+00  7.4075000000e-01  1.9886500000e+00 -2.1347200000e+00 -1.1462000000e-01  2.3239400000e+00 -3.3465200000e+00  7.2859000000e-01  1.4041300000e+00 -1.9460700000e+00 -1.9424900000e+00  8.9515000000e-01 -1.1957600000e+00 -1.6355600000e+00  2.2207400000e+00 -1.5658400000e+00 -2.2662200000e+00  8.2831000000e-01 -4.4702000000e-01  2.0440200000e+00  1.2490000000e+00  3.8050000000e-01  2.2774000000e+00  1.5456900000e+00 -1.0041000000e+00  1.7419200000e+00 -1.7692300000e+00  1.8799800000e+00  1.8807100000e+00 -2.4232300000e+00  2.2565500000e+00  1.2918800000e+00 -1.9378100000e+00  9.3807000000e-01  1.8557000000e+00
ENERGY -9.171836149993e+02
EMD0 -3.446702950000e+02
FORCES  -1.0422000000e-03 -7.0595000000e-03  6.8588000000e-03  6.0864000000e-03 -2.0022000000e-03  2.7090000000e-04 -1.1040500000e-02  7.0679000000e-03 -6.4082000000e-03 -2.1386000000e-03  2.8898000000e-03  3.3675000000e-03  5.0850000000e-04 -2.1923000000e-03 -7.1461000000e-03  2.3783000000e-03 -1.2281000000e-03  4.5337000000e-03 -1.3300000000e-03  4.3900000000e-04 -5.1279000000e-03 -1.8828000000e-03 -3.4729000000e-03 -2.4934000000e-03  6.6943000000e-03  1.2191300000e-02  6.2437000000e-03 -1.2029700000e-02  6.8750000000e-04 -1.9929000000e-03 -4.3153000000e-03  2.0800000000e-04 -1.9034000000e-03  1.4426100000e-02 -3.0526000000e-03  4.1608000000e-03  1.4986600000e-02  2.0593000000e-03  1.4000000000e-06 -3.7130000000e-03  5.4692000000e-03 -5.9103000000e-03 -1.2146000000e-02 -2.9039000000e-03  4.4560000000e-03  1.0624400000e-02 -1.4107800000e-02  4.5570000000e-03 -1.7843700000e-02  7.8441000000e-03 -3.0593000000e-03  5.1810000000e-03 -1.7077000000e-03  8.0500000000e-05  1.0557000000e-02  1.8536000000e-03 -4.3360000000e-03 -1.7190600000e-02  2.9210000000e-04  3.6982000000e-03  5.1925000000e-03  1.5285000000e-03  1.4639000000e-03  2.6675000000e-03  1.3590000000e-04  1.2386300000e-02 -2.4938000000e-03  4.9835000000e-03 -1.4466800000e-02 -1.0443000000e-03 -6.7216000000e-03  6.8750000000e-04 -2.4613000000e-03 -8.1780000000e-04 -1.0060600000e-02  2.3942000000e-03  6.2330000000e-04  1.8758800000e-02 -2.9020000000e-04  6.1410000000e-04 -4.2578000000e-03  7.8309000000e-03  6.1142000000e-03 -1.8085500000e-02  1.0108900000e-02 -6.0380000000e-03  4.4486000000e-03 -1.0999700000e-02 -3.8470000000e-03  9.5393000000e-03  6.0870000000e-04 -9.0627000000e-03  2.5761000000e-03  9.0480000000e-04 -1.2789300000e-02 -9.0267000000e-03 -4.8934000000e-03  2.1314300000e-02  1.1804000000e-03 -4.5250000000e-03  1.0417900000e-02  3.5490000000e-04  4.9333000000e-03 -1.6832800000e-02  9.1426000000e-03  5.2966000000e-03  7.1029000000e-03 -4.4917000000e-03

JOB 48
COORDS   2.4918900000e+00  4.0293000000e-01 -1.9515000000e+00  2.3550000000e+00  1.3502800000e+00 -1.9551900000e+00  2.4958600000e+00  1.5742000000e-01 -2.8766700000e+00  2.1305400000e+00 -1.5697000000e-01 -4.4812400000e+00  1.8711400000e+00 -9.5466000000e-01 -4.9423700000e+00  3.0798100000e+00 -2.3338000000e-01 -4.3849100000e+00 -2.6380500000e+00  3.7324900000e+00 -1.4855600000e+00 -2.1639200000e+00  4.4041200000e+00 -1.9758000000e+00 -2.6158600000e+00  2.9612700000e+00 -2.0520900000e+00  5.9806000000e-01  2.6492600000e+00  2.7279400000e+00  8.4766000000e-01  1.9206100000e+00  3.2962800000e+00 -2.1693000000e-01  2.3634400000e+00  2.3152400000e+00 -1.8430000000e+00 -1.9419000000e-01 -9.5845000000e-01 -1.8960800000e+00  5.1337000000e-01 -3.1598000000e-01 -9.9239000000e-01 -6.0215000000e-01 -7.9644000000e-01 -3.2054600000e+00  1.1713600000e+00 -3.2026000000e+00 -2.6009500000e+00  5.4170000000e-01 -2.8097500000e+00 -3.9833600000e+00  6.5610000000e-01 -3.4161700000e+00 -2.3000600000e+00 -2.0747000000e-01  3.0984100000e+00 -2.9508700000e+00 -3.6108000000e-01  3.7833000000e+00 -1.5992200000e+00 -8.3091000000e-01  3.2891500000e+00  5.9079000000e-01 -7.2267000000e-01  7.9501000000e-01  5.1372000000e-01 -1.1189200000e+00  1.6629300000e+00  4.3150000000e-02  6.1130000000e-02  8.3956000000e-01  2.5823200000e+00 -3.9614200000e+00  1.5709300000e+00  2.8171500000e+00 -3.1665300000e+00  1.0921600000e+00  2.5561400000e+00 -4.6455800000e+00  9.0199000000e-01  2.5969100000e+00 -1.8516400000e+00 -4.8972000000e-01  1.8244400000e+00 -1.6316400000e+00  3.0970000000e-02  2.6123700000e+00 -1.1945600000e+00 -1.1855900000e+00  5.1887000000e-01 -2.4771800000e+00  2.9876000000e+00  5.2003000000e-01 -3.0067700000e+00  3.7849500000e+00  1.0197100000e+00 -2.9933300000e+00  2.3559600000e+00 -1.4871300000e+00  1.7564700000e+00  1.4036000000e+00 -2.1828600000e+00  2.3243700000e+00  1.0724100000e+00 -1.9061900000e+00  1.2400900000e+00  2.0920600000e+00
ENERGY -9.171257044873e+02
EMD0 -2.585239710000e+02
FORCES  -6.6962000000e-03 -6.9815000000e-03 -5.7230000000e-04  1.1956000000e-03 -1.1625000000e-03 -8.6741000000e-03  1.4952500000e-02  8.9490000000e-04 -2.7019000000e-03 -6.7636000000e-03  4.1300000000e-03  8.8581000000e-03  7.1492000000e-03  1.5297000000e-03  1.7940000000e-04 -9.0316000000e-03 -9.2690000000e-04  1.1284500000e-02 -4.2004000000e-03 -1.0979000000e-03 -2.0135000000e-03 -5.1310000000e-04 -4.1573000000e-03 -2.6408000000e-03  8.3028000000e-03  1.0135300000e-02  4.3997000000e-03 -1.0366700000e-02  4.6590000000e-04 -1.1509800000e-02 -6.1722000000e-03 -1.0377000000e-03 -2.9168000000e-03  5.1247000000e-03 -5.7762000000e-03  1.1489800000e-02  1.2641000000e-03 -6.8200000000e-04  7.0913000000e-03  2.3756000000e-03 -5.6010000000e-03 -4.1223000000e-03 -3.4563000000e-03  7.0807000000e-03  2.3026000000e-03 -6.8280000000e-04 -1.4681000000e-03  3.3052000000e-03 -7.8805000000e-03  3.7136000000e-03 -1.0458800000e-02  4.1548000000e-03 -4.2796000000e-03  3.3990000000e-04 -1.9140000000e-04  1.6447000000e-03 -6.6912000000e-03  5.1724000000e-03 -4.1667000000e-03  9.3810000000e-04 -7.0501000000e-03  3.9369000000e-03  5.5046000000e-03  1.2508000000e-02 -2.8706000000e-03 -4.7533000000e-03  5.4470000000e-04  4.9996000000e-03 -9.3394000000e-03 -3.4775000000e-03 -1.0636200000e-02  2.8832000000e-03  8.8273000000e-03  3.9470000000e-04 -4.7783000000e-03 -9.6799000000e-03 -8.2131000000e-03  8.9661000000e-03  1.0169000000e-03  1.9225000000e-03  2.7500000000e-05 -7.0754000000e-03  2.6473600000e-02 -3.8962000000e-03  4.3192000000e-03 -1.0930200000e-02  4.2796000000e-03 -3.7495000000e-03 -1.0017900000e-02 -4.7287000000e-03  9.1732000000e-03 -4.4588000000e-03 -3.9941000000e-03 -6.7780000000e-04 -3.0237000000e-03 -2.9110000000e-03 -9.8483000000e-03  1.1571700000e-02  6.6329000000e-03  9.2157000000e-03  4.1487000000e-03  9.6355000000e-03 -3.0361000000e-03 -1.0525300000e-02  8.0097000000e-03  5.2525000000e-03  1.4970700000e-02 -9.4254000000e-03

JOB 49
COORDS   1.0803400000e+00 -1.2983300000e+00 -2.3856800000e+00  1.3772200000e+00 -8.0656000000e-01 -3.1513500000e+00  1.8581100000e+00 -1.7693900000e+00 -2.0866500000e+00  2.1925500000e+00  7.9729000000e-01 -3.9514600000e+00  1.6745000000e+00  1.5737200000e+00 -4.1636300000e+00  2.4242900000e+00  9.0803000000e-01 -3.0293600000e+00 -1.8682200000e+00  3.0673400000e+00 -6.8934000000e-01 -2.3955900000e+00  2.6332700000e+00 -1.8740000000e-02 -1.6461800000e+00  2.3713200000e+00 -1.3078000000e+00  9.1515000000e-01  7.3171000000e-01  3.5861100000e+00  1.3571900000e+00  1.1079200000e+00  4.3472200000e+00  4.8195000000e-01  1.4758800000e+00  3.1680500000e+00 -1.3506000000e+00 -1.7735400000e+00 -1.3537400000e+00 -6.1292000000e-01 -1.6220800000e+00 -1.9446000000e+00 -9.9795000000e-01 -2.3442700000e+00 -6.7099000000e-01 -1.8424900000e+00  8.2826000000e-01 -2.2018400000e+00 -1.9474100000e+00  5.4950000000e-02 -1.6475700000e+00 -2.5371500000e+00  7.5081000000e-01 -2.8558200000e+00 -1.9371600000e+00 -1.1657000000e-01  1.0498600000e+00 -2.0151900000e+00 -6.4401000000e-01  1.8448100000e+00 -1.7190800000e+00 -7.4740000000e-01  3.6376000000e-01 -1.2935800000e+00 -1.5992300000e+00  3.2273900000e+00 -8.2709000000e-01 -2.2888000000e+00  2.7550600000e+00 -6.4673000000e-01 -9.0184000000e-01  3.3344500000e+00  1.7423800000e+00 -8.9941000000e-01  1.4240100000e+00  2.0640000000e+00 -2.1924000000e-01  8.3227000000e-01  1.5500600000e+00 -4.3669000000e-01  2.2395600000e+00  2.1757300000e+00  9.4767000000e-01 -9.3119000000e-01  1.5967800000e+00  1.6166000000e+00 -5.6571000000e-01  1.5866900000e+00  3.3522000000e-01 -1.3718400000e+00 -6.4510000000e-02 -2.8868400000e+00  1.0451400000e+00  2.8576000000e-01 -3.7684300000e+00  1.1729400000e+00  7.0739000000e-01 -2.3208700000e+00  1.0362800000e+00  1.7992000000e-01  2.2546200000e+00  1.1885300000e+00 -3.4066000000e-01  2.8211700000e+00  6.1911000000e-01 -1.4576000000e-01  1.3720900000e+00  1.0116100000e+00
ENERGY -9.171933044489e+02
EMD0 -3.596165570000e+02
FORCES  -9.0730000000e-03 -1.6119000000e-03 -6.7598000000e-03  3.4498000000e-03 -6.9985000000e-03  1.8050100000e-02  9.6950000000e-04  7.6275000000e-03 -3.3301000000e-03  5.0227000000e-03  5.6370000000e-03 -1.5571000000e-03  2.2935000000e-03 -4.6260000000e-04  4.9683000000e-03 -1.1252200000e-02 -8.5609000000e-03 -7.3846000000e-03 -8.6012000000e-03 -1.0175300000e-02 -1.5017900000e-02  6.6574000000e-03  1.4677000000e-03 -4.6520000000e-04  3.6566000000e-03  9.1799000000e-03  1.0674900000e-02  1.1780000000e-03  2.3460000000e-03 -2.9211000000e-03 -3.1089000000e-03  5.3979000000e-03 -3.1431000000e-03  4.3391000000e-03 -6.9198000000e-03  1.2093600000e-02  1.2344500000e-02 -3.9333000000e-03 -2.9641000000e-03 -8.6000000000e-03 -1.8114000000e-03  5.0607000000e-03 -1.2250000000e-03  8.4316000000e-03 -9.1103000000e-03  4.9100000000e-04 -3.2083000000e-03  7.1102000000e-03 -3.7383000000e-03  1.0838800000e-02 -6.9872000000e-03  3.1420000000e-04 -4.2512000000e-03  2.8274000000e-03 -3.3243000000e-03 -1.4756400000e-02  1.1518400000e-02  8.3780000000e-04  5.7747000000e-03 -1.3241500000e-02 -3.6980000000e-04  1.9984000000e-03  7.2642000000e-03  2.8016000000e-03 -3.6063000000e-03 -5.3983000000e-03  7.4400000000e-04  6.5869000000e-03  8.4774000000e-03 -4.7162000000e-03 -6.2429000000e-03 -8.2206000000e-03  5.7090000000e-04  5.5773000000e-03  4.4039000000e-03 -5.4918000000e-03 -2.6511000000e-03  1.0943300000e-02  2.3631000000e-03 -3.7490000000e-03 -1.3074800000e-02 -4.9930000000e-04  1.5899000000e-03  7.1110000000e-04 -3.9780000000e-04 -1.0671100000e-02 -7.5229000000e-03  8.5647000000e-03  1.2125400000e-02  3.7160000000e-04  6.0084000000e-03  1.4227500000e-02  2.3483000000e-03  4.0808000000e-03  5.7625000000e-03  1.4634000000e-03 -1.1435300000e-02 -2.1066300000e-02 -2.2438000000e-03 -1.4739900000e-02  6.9304000000e-03 -2.4290000000e-03  9.0101000000e-03 -1.0293400000e-02  5.4263000000e-03  1.0875100000e-02  9.4708000000e-03 -1.9416000000e-03

JOB 50
COORDS   5.2165000000e-01 -7.6228000000e-01 -3.0500400000e+00  1.3198500000e+00 -7.4405000000e-01 -3.5780400000e+00  5.5643000000e-01  4.3510000000e-02 -2.5345600000e+00  3.2913300000e+00  2.5056000000e-01 -1.0374400000e+00  3.7821100000e+00  9.8305000000e-01 -6.6485000000e-01  2.4040400000e+00  5.9041000000e-01 -1.1533700000e+00 -7.9163000000e-01  3.0904900000e+00 -2.0812300000e+00 -6.0850000000e-01  3.0940200000e+00 -3.0207400000e+00 -1.4787700000e+00  2.4329300000e+00 -1.9731400000e+00  4.4189000000e-01  1.2348400000e+00  1.6862100000e+00  2.3376000000e-01  1.8335700000e+00  2.4034400000e+00 -3.6493000000e-01  1.1847700000e+00  1.1735900000e+00 -8.6090000000e-01 -6.9218000000e-01 -4.4061000000e-01 -4.1751000000e-01 -9.8955000000e-01 -1.2351000000e+00 -5.2267000000e-01 -1.2616500000e+00  2.5043000000e-01 -2.7398500000e+00  8.7890000000e-01 -1.6677000000e+00 -3.5719300000e+00  4.1277000000e-01 -1.7489100000e+00 -2.1759700000e+00  2.7989000000e-01 -1.1783500000e+00 -2.6447400000e+00 -8.9275000000e-01  2.3688100000e+00 -1.9136500000e+00 -9.2252000000e-01  2.9859400000e+00 -2.3554000000e+00 -1.4255400000e+00  1.6281000000e+00 -2.5478000000e-01 -7.5665000000e-01  3.3863500000e+00  9.1440000000e-02 -1.6262500000e+00  3.1859600000e+00  6.0020000000e-02 -2.0257000000e-01  2.6721200000e+00  3.6207100000e+00 -2.6537500000e+00  1.1765000000e-01  4.0707800000e+00 -1.8117700000e+00  4.8790000000e-02  3.6934900000e+00 -3.0369700000e+00 -7.5647000000e-01  1.0807100000e+00  1.4967700000e+00 -1.0721200000e+00  1.0385400000e+00  1.2708200000e+00 -1.4292000000e-01  4.6489000000e-01  2.2229000000e+00 -1.1707200000e+00  5.7214000000e-01 -2.7683700000e+00  8.1306000000e-01  4.2033000000e-01 -3.6802500000e+00  5.6477000000e-01  1.5249900000e+00 -2.6854000000e+00  8.5095000000e-01 -2.2835200000e+00  1.6584400000e+00  1.0798900000e+00 -2.5857500000e+00  1.5296900000e+00  1.8083000000e-01 -2.9063300000e+00  1.1667100000e+00  1.6151800000e+00
ENERGY -9.171699463140e+02
EMD0 -3.171124750000e+02
FORCES   2.3412000000e-03  8.3560000000e-04  9.3300000000e-05 -1.8103000000e-03  4.6700000000e-03  5.2270000000e-04 -1.8130000000e-03 -1.2320100000e-02 -5.6046000000e-03 -2.1327600000e-02  1.2637500000e-02 -4.3095000000e-03 -1.9708000000e-03 -9.0050000000e-04  7.8990000000e-04  3.1106000000e-03 -3.2355000000e-03  7.9962000000e-03 -2.1535000000e-03 -9.7770000000e-04  1.0384000000e-03 -2.9875000000e-03 -3.3760000000e-03  1.9120000000e-03  1.3698500000e-02  4.5035000000e-03 -2.1243000000e-03 -7.9067000000e-03  6.0551000000e-03 -7.1580000000e-04 -2.4437000000e-03 -5.8246000000e-03  1.1790000000e-04  2.1937900000e-02 -1.7108000000e-03  2.3608000000e-03  8.2178000000e-03 -5.5127000000e-03  2.3351000000e-03 -4.9426000000e-03  5.1949000000e-03  6.2995000000e-03 -4.8022000000e-03  7.4141000000e-03 -4.9682000000e-03  5.7746000000e-03 -6.2979000000e-03 -1.6482000000e-03  3.8757000000e-03 -4.2975000000e-03  5.4774000000e-03 -1.5392600000e-02  1.3046400000e-02 -5.5073000000e-03  2.0704500000e-02  2.5849000000e-03  1.0472600000e-02 -1.0085600000e-02 -5.7144000000e-03 -9.4122000000e-03  3.1174000000e-03  3.2100000000e-05  3.0303000000e-03 -1.3820000000e-03  1.4978600000e-02 -8.9262000000e-03 -3.3887000000e-03  5.1662000000e-03 -3.3980000000e-03 -7.7341000000e-03 -1.3377800000e-02  6.7605000000e-03  2.1363000000e-03  5.8927000000e-03 -1.8744000000e-03  4.8832000000e-03 -8.9534000000e-03 -5.5430000000e-04  1.9947000000e-03  1.7964000000e-03  1.5367000000e-03  1.1373000000e-03  6.7913000000e-03 -3.7048000000e-03 -5.6920000000e-04  1.6760000000e-03 -1.0675300000e-02  6.9491000000e-03 -1.3438100000e-02  1.4709800000e-02  5.2061000000e-03  1.7968000000e-03 -5.1639000000e-03  4.8368000000e-03  8.7930000000e-04  6.7150000000e-04 -1.3767100000e-02 -6.8829000000e-03  3.6923000000e-03 -2.9142000000e-03 -6.4368000000e-03 -1.8670000000e-04  1.6769000000e-03 -5.9814000000e-03  7.8656000000e-03 -4.2072000000e-03  9.2868000000e-03 -8.9088000000e-03

JOB 51
COORDS   1.6350000000e+00 -4.0295000000e-01 -2.3588300000e+00  1.0491500000e+00  3.5040000000e-01 -2.2847900000e+00  2.3613700000e+00 -2.0097000000e-01 -1.7690600000e+00  3.2895100000e+00  2.9350000000e-02  1.1990000000e-02  4.2371100000e+00  1.2899000000e-01  1.0337000000e-01  2.9442900000e+00  9.1668000000e-01  1.1050000000e-01 -6.3784000000e-01  1.2955800000e+00 -2.0483400000e+00 -9.4643000000e-01  2.1371300000e+00 -2.3841800000e+00 -1.3730800000e+00  9.5685000000e-01 -1.5375500000e+00 -7.1316000000e-01  3.9026400000e+00  9.8643000000e-01 -1.0085700000e+00  4.5220800000e+00  1.6537000000e+00 -1.1251400000e+00  3.0735200000e+00  1.2294500000e+00 -2.2429200000e+00 -2.3127400000e+00 -1.2167500000e+00 -2.4971600000e+00 -3.2033000000e+00 -9.7489000000e-01 -1.2860500000e+00 -2.3322900000e+00 -1.2326500000e+00 -2.9696200000e+00  2.1065000000e-01 -9.4048000000e-01 -3.9144000000e+00  2.9173000000e-01 -8.0989000000e-01 -2.8421700000e+00 -6.9792000000e-01 -1.2133900000e+00 -1.0562900000e+00 -3.8721000000e-01  2.7438000000e+00 -3.8205000000e-01 -5.7997000000e-01  2.0922800000e+00 -6.3492000000e-01 -5.6428000000e-01  3.5848300000e+00  8.8044000000e-01 -7.7296000000e-01  8.7859000000e-01  4.1041000000e-01 -9.7457000000e-01  6.9480000000e-02  1.7360300000e+00 -4.5804000000e-01  5.8700000000e-01  2.0974200000e+00 -3.3122700000e+00  1.4481800000e+00  2.9133400000e+00 -3.3362000000e+00  9.4826000000e-01  2.1963700000e+00 -2.5611700000e+00  2.0332300000e+00  1.4981600000e+00  2.2820400000e+00 -2.2441000000e-01  1.0503700000e+00  2.9770900000e+00  2.5789000000e-01  8.6943000000e-01  2.0104800000e+00 -8.9312000000e-01  5.7747000000e-01 -2.4714700000e+00 -1.2307500000e+00  1.0987000000e+00 -1.8211300000e+00 -1.7015000000e+00  1.0729800000e+00 -2.6420100000e+00 -4.2974000000e-01 -2.3970700000e+00  1.8920000000e+00  1.8650200000e+00 -3.3305600000e+00  1.6806900000e+00  1.8518100000e+00 -1.9682100000e+00  1.0697400000e+00  2.1020700000e+00
ENERGY -9.171820689094e+02
EMD0 -3.424817740000e+02
FORCES  -1.0222200000e-02 -3.3602000000e-03 -9.6340000000e-04  1.6004400000e-02 -2.4683000000e-03  6.7272000000e-03 -1.2021000000e-02  2.7600000000e-05 -2.0085000000e-03 -9.5083000000e-03 -1.9304000000e-03  3.7753000000e-03 -3.2740000000e-03  7.2286000000e-03  1.8700000000e-04  1.2228300000e-02 -1.9438800000e-02  1.0947000000e-03 -1.4984400000e-02 -1.0102200000e-02  1.6547000000e-03 -6.9310000000e-04 -1.2809000000e-03  3.9350000000e-03  1.3573800000e-02  7.6506000000e-03 -8.2376000000e-03 -1.2189700000e-02 -5.2073000000e-03  2.8022000000e-03 -1.6291000000e-03 -2.3578000000e-03  9.4390000000e-04  1.3509300000e-02  9.4010000000e-03 -4.5850000000e-04  7.6821000000e-03  7.3803000000e-03  4.7830000000e-04  5.3565000000e-03 -1.1843000000e-03  4.4500000000e-05 -1.9333100000e-02 -1.1139000000e-03  2.8468000000e-03  4.3612000000e-03 -1.2372100000e-02  3.7670000000e-04 -6.0630000000e-04 -7.2175000000e-03 -6.0630000000e-04 -5.2892000000e-03  1.7666800000e-02 -8.7350000000e-04  6.9141000000e-03 -4.9460000000e-04 -8.9104000000e-03 -1.0772100000e-02  4.4300000000e-04  1.3179100000e-02  4.4207000000e-03 -2.7009000000e-03 -3.3355000000e-03  7.9201000000e-03 -3.1822000000e-03 -5.1941000000e-03  7.9142000000e-03  2.4188000000e-03  2.2890000000e-03 -5.7419000000e-03 -3.4540000000e-04 -7.0719000000e-03 -5.0567000000e-03  1.9005000000e-03  4.1213000000e-03 -3.4012000000e-03  4.7908000000e-03  1.3872000000e-03  7.7785000000e-03 -3.7033000000e-03 -1.7400000000e-04 -1.2430600000e-02  5.1686000000e-03  1.2393000000e-03  3.9658000000e-03 -7.4165000000e-03 -8.3604000000e-03  8.3103000000e-03  4.9665000000e-03  4.3847000000e-03  1.0378100000e-02  1.3246800000e-02 -1.0777400000e-02 -1.4450000000e-04 -1.1690300000e-02  2.0558800000e-02  1.6158000000e-03  1.3796200000e-02 -1.0663900000e-02  5.5450000000e-03 -6.4561000000e-03 -7.7520000000e-04  5.6920000000e-04 -4.6538000000e-03  3.9207000000e-03 -1.0749800000e-02  1.2590500000e-02 -7.5359000000e-03

JOB 52
COORDS   1.3243500000e+00  6.2300000000e-03  6.6021000000e-01  7.9857000000e-01  7.8319000000e-01  4.7014000000e-01  1.9830600000e+00 -1.3500000000e-02 -3.4010000000e-02  3.3477900000e+00  5.4678000000e-01 -1.8265500000e+00  2.9646000000e+00  2.6048000000e-01 -2.6556700000e+00  3.1646600000e+00  1.4855500000e+00 -1.7890300000e+00 -1.7120600000e+00  3.1871400000e+00 -1.6289200000e+00 -2.5385500000e+00  3.6544400000e+00 -1.5073600000e+00 -1.9657900000e+00  2.2676800000e+00 -1.7092200000e+00 -4.5810000000e-02  2.3509400000e+00  4.8755000000e-01 -5.9273000000e-01  2.7807000000e+00 -1.7004000000e-01 -6.6873000000e-01  1.9799400000e+00  1.1125000000e+00 -1.4278200000e+00 -1.9546200000e+00 -2.0468000000e+00 -1.3442300000e+00 -2.7097900000e+00 -2.6290100000e+00 -1.0969000000e+00 -2.2639100000e+00 -1.2035600000e+00 -2.3930400000e+00  7.5435000000e-01 -1.3789100000e+00 -2.6265100000e+00  7.7929000000e-01 -4.5095000000e-01 -2.0831000000e+00 -1.3951000000e-01 -1.5244500000e+00 -1.5733300000e+00 -1.0375800000e+00  2.9738600000e+00 -1.7488600000e+00 -1.6505200000e+00  3.6878000000e+00 -1.4016300000e+00 -1.5955400000e+00  2.2152900000e+00  2.6087700000e+00 -2.0371500000e+00  2.1602500000e+00  2.2230800000e+00 -1.3504400000e+00  1.6162800000e+00  2.9529700000e+00 -1.5735800000e+00  2.9237000000e+00  1.6298700000e+00 -3.8072200000e+00  2.4332000000e-01  2.2437900000e+00 -4.4918300000e+00 -2.2460000000e-02  2.0499000000e+00 -3.3862100000e+00  9.9336000000e-01  1.8019800000e+00  2.9616200000e+00 -1.8717700000e+00  1.3537800000e+00  2.6610600000e+00 -1.0811900000e+00  1.1178600000e+00  3.3876400000e+00 -2.3882100000e+00 -6.3194000000e-01 -2.1735600000e+00  5.7965000000e-01  6.4210000000e-02 -1.5524400000e+00  7.9368000000e-01 -1.7058000000e-01 -2.9713500000e+00  3.2096000000e-01 -2.8251800000e+00  1.2882100000e+00  1.5832900000e+00 -3.5808800000e+00  1.7637700000e+00  1.9282400000e+00 -2.7284300000e+00  5.3564000000e-01  2.1668400000e+00
ENERGY -9.171872032660e+02
EMD0 -3.521900000000e+02
FORCES  -7.1159000000e-03  1.9362600000e-02 -1.3854000000e-03  7.8325000000e-03 -1.4381500000e-02 -1.8709000000e-03 -8.2057000000e-03  1.1206000000e-03  1.0371800000e-02  2.0632000000e-03  7.5674000000e-03 -5.8190000000e-03  4.9630000000e-04  2.1681000000e-03  9.7780000000e-04  1.8932000000e-03 -9.8415000000e-03  2.2601000000e-03 -6.4400000000e-03 -2.3048700000e-02 -5.7338000000e-03 -1.9132000000e-03 -6.1474000000e-03  7.3480000000e-04  1.8590000000e-04  2.1858100000e-02  6.9430000000e-03 -8.2886000000e-03  5.9322000000e-03 -5.3419000000e-03  1.0309200000e-02 -7.9445000000e-03  1.3088700000e-02  6.7168000000e-03 -9.5230000000e-04 -7.3057000000e-03  5.9530000000e-04  3.7995000000e-03  6.1839000000e-03  3.7646000000e-03 -3.7538000000e-03  7.7257000000e-03 -5.5330000000e-04 -8.8435000000e-03 -1.3176700000e-02  4.7640000000e-03  6.2064000000e-03 -6.7809000000e-03  4.6087000000e-03 -4.2847000000e-03 -1.1060800000e-02 -4.9010000000e-03  9.6386000000e-03  1.4497300000e-02  8.2525000000e-03 -4.3334000000e-03 -5.4659000000e-03  5.1980000000e-04 -3.0681000000e-03 -4.7112000000e-03 -3.7091000000e-03  5.6552000000e-03  1.3825200000e-02 -2.0176000000e-03  2.9248000000e-03 -5.3200000000e-04  6.5305000000e-03 -1.0720300000e-02  3.2605000000e-03 -1.5475000000e-03  4.9333000000e-03 -2.8685000000e-03  2.1661000000e-03  5.6085000000e-03  4.2064000000e-03  3.0928000000e-03  2.0011000000e-03  5.2051000000e-03 -4.0750000000e-03 -7.5209000000e-03 -1.2276900000e-02 -6.5970000000e-04  2.0776000000e-03  1.8470000000e-04  1.5562000000e-03  2.7710000000e-04 -8.3040000000e-03  2.4210000000e-04 -1.6755000000e-03  4.2360000000e-03  1.1275600000e-02  2.7589000000e-03 -2.1808000000e-03 -1.0223400000e-02 -1.3955500000e-02  5.9197000000e-03 -9.4495000000e-03  1.2048500000e-02 -6.6740000000e-03  2.1758000000e-03 -3.0130000000e-03  4.2288000000e-03  7.3190000000e-04 -5.4617000000e-03  3.3581000000e-03 -1.0673600000e-02  1.3008100000e-02 -5.7192000000e-03

JOB 53
COORDS   3.4372700000e+00  1.0913800000e+00 -7.8790000000e-02  3.8207400000e+00  1.4221600000e+00 -8.9106000000e-01  2.5285400000e+00  8.9379000000e-01 -3.0547000000e-01  7.8448000000e-01  8.2340000000e-01 -8.4036000000e-01 -1.3470000000e-01  7.5969000000e-01 -5.8099000000e-01  7.6483000000e-01  8.1670000000e-01 -1.7973300000e+00 -1.4515000000e-01  2.3842900000e+00 -3.8702100000e+00 -6.9420000000e-01  2.6967900000e+00 -4.5893200000e+00 -5.1237000000e-01  2.7996300000e+00 -3.0899000000e+00 -2.8131400000e+00  6.2896000000e-01  2.8888900000e+00 -3.1045300000e+00  1.0721600000e+00  3.6856900000e+00 -2.6076300000e+00 -2.6220000000e-01  3.1714300000e+00 -1.7705400000e+00  9.4204000000e-01  3.3445000000e-01 -2.2079600000e+00  1.0701300000e+00  1.1761700000e+00 -2.2182600000e+00  1.9201000000e-01 -5.7000000000e-02 -1.2323900000e+00  3.0836500000e+00 -1.2495200000e+00 -3.8424000000e-01  3.3827000000e+00 -9.2175000000e-01 -1.5319600000e+00  2.4503100000e+00 -5.9732000000e-01 -2.8579800000e+00 -1.5710300000e+00  2.9380000000e-01 -3.0597300000e+00 -1.9833900000e+00 -5.4613000000e-01 -1.9051900000e+00 -1.6274900000e+00  3.6616000000e-01  4.2372500000e+00 -1.0461100000e+00  1.5966000000e+00  4.0967700000e+00 -3.7950000000e-01  9.2420000000e-01  5.0322300000e+00 -7.6576000000e-01  2.0500800000e+00  1.6481000000e+00 -2.4374200000e+00  1.7260300000e+00  1.4066400000e+00 -2.0853500000e+00  2.5827600000e+00  2.5493800000e+00 -2.1444300000e+00  1.5915200000e+00  1.1364700000e+00  4.3320000000e-02 -3.7429000000e+00  2.0410700000e+00 -4.2260000000e-02 -4.0439200000e+00  8.5644000000e-01  9.0014000000e-01 -4.0648800000e+00 -1.8744000000e-01 -1.8220900000e+00 -2.9988000000e-01  2.9412000000e-01 -1.1188100000e+00 -7.3545000000e-01  4.2650000000e-01 -2.1678200000e+00  3.4803000000e-01 -2.2554600000e+00 -2.2141000000e+00  3.2898800000e+00 -1.9903700000e+00 -2.4853200000e+00  2.4110200000e+00 -3.1586900000e+00 -1.9145800000e+00  3.1863900000e+00
ENERGY -9.171765363283e+02
EMD0 -3.274448490000e+02
FORCES  -1.3240200000e-02  2.3826000000e-03  2.1556000000e-03 -4.5764000000e-03 -1.3379000000e-03 -8.8210000000e-04  1.8569700000e-02  5.2010000000e-04 -4.1935000000e-03 -6.3093000000e-03  4.7590000000e-03  7.9583000000e-03  7.5396000000e-03 -8.0184000000e-03 -1.8203500000e-02 -5.7421000000e-03  2.9343000000e-03  1.3444600000e-02 -3.3080000000e-04 -5.7035000000e-03  1.1954000000e-02 -9.9780000000e-04  1.9880000000e-03  3.9767000000e-03  5.8814000000e-03  2.5889000000e-03 -1.7238000000e-02  5.6188000000e-03 -5.1170000000e-03 -4.9325000000e-03  5.8040000000e-04 -7.2549000000e-03  1.8748000000e-03 -1.2144700000e-02  5.7182000000e-03  3.9570000000e-03 -6.2793000000e-03 -9.3709000000e-03  1.2108600000e-02  7.2160000000e-04  5.8610000000e-04 -1.5157600000e-02  9.4690000000e-03  5.2865000000e-03  7.8730000000e-04 -1.0173500000e-02 -1.4552100000e-02  1.2896900000e-02 -2.4288000000e-03 -3.0382000000e-03 -2.1952000000e-03  9.3082000000e-03  1.4152100000e-02 -4.8752000000e-03  1.2085600000e-02 -2.3388000000e-03 -1.5652000000e-03  2.4098000000e-03  3.5221000000e-03  3.2940000000e-04 -2.0137300000e-02  4.8679000000e-03  5.8782000000e-03 -2.5424000000e-03  6.2076000000e-03 -3.7073000000e-03  7.8175000000e-03 -1.1906000000e-02  1.0076700000e-02  3.2250000000e-04  4.7039000000e-03 -4.6858000000e-03  7.6708000000e-03  1.4309000000e-03 -8.7460000000e-04  2.8434000000e-03  8.0000000000e-07 -1.3663000000e-03 -1.2964900000e-02 -2.7963000000e-03  2.1458000000e-03 -1.0017900000e-02  2.8797000000e-03 -4.3892000000e-03 -2.6808000000e-03  7.1160000000e-03 -1.4191000000e-03  1.3486300000e-02 -1.0395400000e-02  8.0600000000e-05  1.2381100000e-02  2.9854000000e-03  3.0878000000e-03 -3.1742000000e-03 -4.2401000000e-03  3.0493000000e-03 -9.9054000000e-03  6.1091000000e-03 -1.1914300000e-02  2.0500000000e-04 -6.8330000000e-03 -2.9034000000e-03 -1.1388000000e-03  2.5867000000e-03  3.0840000000e-03  7.8741000000e-03  9.5765000000e-03  1.6571000000e-03

JOB 54
COORDS   4.1439900000e+00  8.3042000000e-01 -8.8508000000e-01  4.6770400000e+00  1.6222600000e+00 -9.5631000000e-01  3.2810200000e+00  1.1454400000e+00 -6.1625000000e-01  1.2474700000e+00  1.1073200000e+00 -4.7234000000e-01  4.3813000000e-01  1.4904000000e+00 -1.3405000000e-01  1.0717700000e+00  9.5665000000e-01 -1.4011300000e+00 -2.0660200000e+00  9.2280000000e-02 -3.6887700000e+00 -2.7191600000e+00  1.9476000000e-01 -2.9965700000e+00 -2.4095400000e+00  6.0472000000e-01 -4.4206400000e+00 -2.2470000000e+00 -6.4292000000e-01  2.2943200000e+00 -1.3240700000e+00 -8.8603000000e-01  2.3673500000e+00 -2.7191300000e+00 -1.4737200000e+00  2.3498700000e+00 -3.3805500000e+00  2.8865000000e-01 -1.1574000000e+00 -3.9220900000e+00  4.1169000000e-01 -3.7777000000e-01 -2.7023800000e+00 -3.2886000000e-01 -8.8353000000e-01 -1.1036100000e+00  1.8820800000e+00  7.1434000000e-01 -1.2881500000e+00  1.1666700000e+00  1.3229200000e+00 -1.8265600000e+00  1.8564500000e+00  8.7510000000e-02 -1.1715100000e+00 -1.3472800000e+00 -7.2147000000e-01 -4.5310000000e-01 -1.4030100000e+00 -1.3515700000e+00 -7.4136000000e-01 -1.3484300000e+00  1.3363000000e-01  4.8047200000e+00 -1.1057100000e+00  1.0612800000e+00  4.6728900000e+00 -6.2463000000e-01  2.4432000000e-01  5.2707700000e+00 -1.8998000000e+00  7.9965000000e-01  2.9710000000e+00 -1.4667800000e+00  3.1215300000e+00  3.0621100000e+00 -1.2037300000e+00  4.0373600000e+00  3.7970600000e+00 -1.2067200000e+00  2.7138300000e+00  7.5355000000e-01  3.6886000000e-01 -2.9268100000e+00  1.1324300000e+00 -4.8620000000e-02 -3.7003600000e+00 -1.9007000000e-01  2.3963000000e-01 -3.0222700000e+00  4.9583000000e-01 -8.8838000000e-01  1.4756800000e+00  8.2408000000e-01 -2.9619000000e-01  7.9907000000e-01  1.2687000000e+00 -1.1124600000e+00  1.9940200000e+00 -4.4916400000e+00  8.8275000000e-01  1.1663200000e+00 -3.8211300000e+00  4.3110000000e-01  1.6788300000e+00 -4.6713000000e+00  1.6835800000e+00  1.6588900000e+00
ENERGY -9.171969350639e+02
EMD0 -3.671401900000e+02
FORCES  -8.0387000000e-03 -8.3490000000e-04  5.8570000000e-04 -4.8579000000e-03  1.2523000000e-03  1.0467000000e-03  1.7253900000e-02  2.9083000000e-03 -3.0007000000e-03 -1.1363100000e-02  4.6783000000e-03 -1.1307600000e-02  9.4301000000e-03 -1.2589700000e-02 -1.2151300000e-02 -6.5834000000e-03  7.6712000000e-03  1.3014100000e-02 -6.2261000000e-03 -1.8442000000e-03  6.3037000000e-03  6.9529000000e-03  1.2298000000e-03 -1.6002100000e-02 -3.7194000000e-03  5.7000000000e-06  3.5539000000e-03  1.1154500000e-02  1.8815000000e-03 -1.2508000000e-03 -1.6086700000e-02 -4.8361000000e-03  3.6115000000e-03  4.1342000000e-03  1.7186000000e-03  6.7420000000e-04 -7.5503000000e-03 -2.0151000000e-03  9.4194000000e-03  1.3837800000e-02 -1.0252600000e-02  3.0480000000e-04 -1.3546500000e-02  1.0362900000e-02  3.0669000000e-03 -1.8370000000e-04 -1.4548000000e-03  4.6470000000e-04 -1.4770000000e-04  3.8363000000e-03 -4.5945000000e-03  5.4094000000e-03  6.7400000000e-05  6.8234000000e-03  3.1986000000e-03  8.8700000000e-04  4.4827000000e-03  3.9580000000e-04 -5.3840000000e-04  4.8847000000e-03 -2.5946000000e-03  2.5706000000e-03 -9.6060000000e-03 -7.1003000000e-03  1.0740600000e-02 -4.4207000000e-03  7.6026000000e-03 -1.7659800000e-02  6.4123000000e-03 -6.4960000000e-04  3.8426000000e-03 -4.8785000000e-03  6.2151000000e-03 -1.9700000000e-03 -8.9506000000e-03  5.9101000000e-03  1.0687000000e-03 -3.5301000000e-03 -5.5676000000e-03 -1.5320000000e-04  1.8904000000e-02 -1.4250000000e-04  7.0313000000e-03  7.4650000000e-03 -6.8720000000e-03 -1.6408000000e-03 -1.3897000000e-03  1.8235600000e-02 -3.8670000000e-03  4.8228000000e-03  1.0768600000e-02  3.5954000000e-03 -4.2691000000e-03 -7.0082000000e-03 -1.3746300000e-02  1.1191200000e-02 -9.9250000000e-03  7.5081000000e-03 -1.0643600000e-02  2.6006000000e-03 -1.8147000000e-03 -1.0145000000e-02 -8.8016000000e-03  6.2785000000e-03 -5.3712000000e-03  3.8648000000e-03 -3.9175000000e-03  4.4796000000e-03

JOB 55
COORDS   3.8579800000e+00  2.2600000000e+00  4.2507000000e-01  3.4468600000e+00  2.7921800000e+00  1.1062500000e+00  3.1313200000e+00  1.9783700000e+00 -1.3070000000e-01  1.4182600000e+00  1.0376200000e+00 -3.7227000000e-01  5.2086000000e-01  9.1028000000e-01 -6.7998000000e-01  1.7263800000e+00  1.5664000000e-01 -1.5976000000e-01 -2.5498200000e+00 -2.8686000000e-01 -2.7636900000e+00 -3.1343600000e+00  6.8220000000e-02 -3.4333700000e+00 -1.9356200000e+00  4.2393000000e-01 -2.5799200000e+00 -3.5354600000e+00 -1.3632200000e+00 -6.4488000000e-01 -3.1107000000e+00 -9.7845000000e-01 -1.4115300000e+00 -2.8251900000e+00 -1.4916200000e+00 -1.6170000000e-02 -4.2992800000e+00  1.3157600000e+00 -6.2976000000e-01 -5.2251400000e+00  1.5583900000e+00 -6.4180000000e-01 -4.3023000000e+00  3.5914000000e-01 -5.9660000000e-01 -1.1391400000e+00  1.7573300000e+00 -1.6467700000e+00 -1.6382800000e+00  2.5102900000e+00 -1.9632100000e+00 -1.2523700000e+00  1.7765500000e+00 -6.9649000000e-01 -1.2613000000e+00 -1.1780500000e+00  1.1559500000e+00 -8.1704000000e-01 -1.3624100000e+00  3.2838000000e-01 -6.6721000000e-01 -1.5137100000e+00  1.8272300000e+00  4.9250400000e+00  1.4144000000e-01  1.8643500000e+00  4.7638300000e+00  9.3155000000e-01  1.3486400000e+00  5.7838700000e+00 -1.6446000000e-01  1.5726700000e+00  3.1419000000e+00 -1.6650400000e+00  6.6926000000e-01  3.5443300000e+00 -2.5277000000e+00  5.6875000000e-01  3.7827000000e+00 -1.1579000000e+00  1.1676600000e+00 -2.2184000000e-01 -1.2410200000e+00 -1.4916200000e+00  2.0106000000e-01 -1.2331800000e+00 -2.3502900000e+00 -1.1578900000e+00 -1.2903900000e+00 -1.6855500000e+00  1.1363700000e+00 -2.5538800000e+00  2.3913500000e+00  1.5215700000e+00 -2.3873300000e+00  3.2516500000e+00  1.8456100000e+00 -2.3787100000e+00  1.7728500000e+00 -1.5083700000e+00  1.8018600000e+00  1.1195000000e+00 -1.1974700000e+00  9.2565000000e-01  1.3471700000e+00 -2.4251000000e+00  1.6752200000e+00  8.7497000000e-01
ENERGY -9.171745786488e+02
EMD0 -3.294645280000e+02
FORCES  -9.2330000000e-03 -2.3450000000e-03 -7.2875000000e-03  5.1740000000e-04 -2.4123000000e-03 -9.8570000000e-04  1.0175800000e-02  5.5283000000e-03  6.5435000000e-03 -6.9592000000e-03  2.3271000000e-03 -4.3369000000e-03  7.3090000000e-04 -4.6956000000e-03  7.8231000000e-03 -3.3859000000e-03  6.7666000000e-03 -2.1451000000e-03 -1.7584000000e-03  2.3399000000e-03  2.0900400000e-02  6.1012000000e-03  6.3152000000e-03  5.8000000000e-05 -1.0820300000e-02 -1.5515900000e-02 -1.3797800000e-02  4.6424000000e-03  2.3264000000e-03 -9.6181000000e-03  4.1789000000e-03 -9.5350000000e-04  1.5800500000e-02  4.3666000000e-03  2.9519000000e-03 -1.7527200000e-02  3.1383000000e-03 -1.1487400000e-02  8.3180000000e-04  5.5550000000e-04 -6.5299000000e-03 -1.6441000000e-03 -7.4162000000e-03  1.7017700000e-02 -4.3487000000e-03  1.4491000000e-03  6.9360000000e-04  2.0540600000e-02 -1.4912000000e-03 -3.6052000000e-03  1.1735000000e-03  1.0288000000e-03 -1.3172000000e-03 -2.0706300000e-02  5.2440000000e-03 -9.5694000000e-03  2.9107000000e-03 -1.2183600000e-02  1.1160000000e-03  3.5877000000e-03 -6.2764000000e-03  8.4228000000e-03 -7.2165000000e-03 -6.2200000000e-03  1.7593800000e-02 -1.2590000000e-03  1.2746400000e-02 -1.5726700000e-02  9.0539000000e-03 -4.9419000000e-03  1.1979000000e-03 -4.2212000000e-03  6.7134000000e-03  1.4465100000e-02  1.7371000000e-03 -4.0290000000e-04  3.3914000000e-03  8.3548000000e-03 -7.7323000000e-03 -2.0104500000e-02 -9.5019000000e-03  1.1190000000e-03  4.1480000000e-04 -3.5714000000e-03 -4.9933000000e-03  2.9200000000e-05 -8.0020000000e-04  3.7023000000e-03  2.1886000000e-03  6.6863000000e-03  9.3951000000e-03  1.1199000000e-03 -8.9840000000e-03  2.8221000000e-03  5.5330000000e-04 -3.8117000000e-03 -4.1722000000e-03 -8.9436000000e-03  1.2150300000e-02 -2.9090000000e-04 -2.9939000000e-03  1.1878000000e-02 -2.9325000000e-03  1.0746000000e-02 -4.7343000000e-03  1.2582500000e-02 -1.3056000000e-03 -3.5327000000e-03

JOB 56
COORDS   2.9966800000e+00  1.1861300000e+00  3.9009000000e-01  3.3653000000e+00  1.9093000000e+00 -1.1723000000e-01  2.0497200000e+00  1.2765200000e+00  2.8369000000e-01  3.3862000000e-01  1.7970300000e+00 -1.0108200000e+00  1.5860000000e-02  1.0116800000e+00 -5.6892000000e-01  7.4867000000e-01  1.4703800000e+00 -1.8116900000e+00  8.0956000000e-01  1.1378400000e+00 -3.6203000000e+00  1.3575700000e+00  8.3537000000e-01 -4.3444700000e+00 -5.3330000000e-02  1.2722500000e+00 -4.0122100000e+00 -3.1962400000e+00 -7.1878000000e-01  8.8061000000e-01 -3.4521800000e+00 -1.6408600000e+00  8.5840000000e-01 -2.2816700000e+00 -7.1671000000e-01  5.9813000000e-01 -2.3288700000e+00  7.3220000000e-02  3.5435500000e+00 -2.6664600000e+00  9.2131000000e-01  3.8316600000e+00 -2.9031100000e+00 -1.8078000000e-01  2.8210800000e+00 -1.8050500000e+00  1.3100900000e+00 -4.4249100000e+00 -2.0608500000e+00  2.2070600000e+00 -4.6399400000e+00 -2.2722400000e+00  1.1155300000e+00 -3.6124300000e+00 -5.5483000000e-01 -7.7584000000e-01 -1.0047000000e-01 -5.8940000000e-02 -1.3733900000e+00 -6.6017000000e-01 -8.4040000000e-02 -7.8132000000e-01  7.3293000000e-01  4.1856500000e+00 -1.0878500000e+00  2.1354600000e+00  3.7308400000e+00 -4.0920000000e-01  1.6366400000e+00  4.9544500000e+00 -6.4609000000e-01  2.4960400000e+00  2.1508100000e+00 -1.9071200000e+00  3.9474800000e+00  2.4966100000e+00 -1.6315500000e+00  3.0985200000e+00  2.5450700000e+00 -1.3015400000e+00  4.5752200000e+00  4.5201000000e-01 -1.9294600000e+00 -2.5085800000e+00 -2.5222000000e-01 -2.0783600000e+00 -3.1395500000e+00  6.3943000000e-01 -9.9312000000e-01 -2.5746600000e+00 -3.8180000000e-02 -3.2106000000e-01  2.5454600000e+00 -9.0967000000e-01 -1.2600000000e-02  2.7936300000e+00  2.1684000000e-01 -9.1399000000e-01  3.2523100000e+00 -2.9618300000e+00  1.1142500000e+00 -1.7229300000e+00 -2.7329400000e+00  1.9826800000e+00 -1.3917600000e+00 -3.1462700000e+00  5.9889000000e-01 -9.3768000000e-01
ENERGY -9.171724007701e+02
EMD0 -3.124978560000e+02
FORCES  -5.3704000000e-03  3.3826000000e-03 -3.7413000000e-03 -2.9741000000e-03  3.4260000000e-04  1.9130000000e-04  8.7251000000e-03 -2.4191000000e-03  1.1846000000e-03 -7.8282000000e-03 -4.3778000000e-03 -1.1807900000e-02  1.1751200000e-02  7.5663000000e-03 -2.5184000000e-03 -7.1720000000e-04 -4.3673000000e-03  1.2909400000e-02 -1.5013300000e-02  1.0071300000e-02  9.2530000000e-04 -6.8480000000e-03 -2.6180000000e-04 -1.8900000000e-03  2.1057500000e-02 -2.2614000000e-03  2.6460000000e-04  8.3854000000e-03 -2.8254000000e-03 -7.1101000000e-03  4.8143000000e-03  1.1566000000e-03  7.2340000000e-04 -1.8121600000e-02  1.1592000000e-03  8.4895000000e-03  1.2957300000e-02 -8.7499000000e-03 -6.0034000000e-03 -2.4514000000e-03 -2.4948000000e-03 -5.5959000000e-03  7.2325000000e-03  8.5308000000e-03  1.1989700000e-02 -4.8967000000e-03 -5.9426000000e-03  5.0748000000e-03  3.7570000000e-04 -1.6800000000e-03  4.6988000000e-03  5.1203000000e-03  8.1107000000e-03 -1.4128900000e-02  3.4160000000e-04 -4.5359000000e-03  5.5430000000e-04  4.6913000000e-03  9.5594000000e-03  1.4721200000e-02 -1.9265000000e-03 -3.6398000000e-03 -2.4502500000e-02  1.7630000000e-03 -2.2961000000e-03 -2.4264000000e-03  3.4268000000e-03 -8.0324000000e-03  1.2486200000e-02 -2.3053000000e-03  2.9272000000e-03 -2.6312000000e-03  1.3769900000e-02 -2.9326000000e-03 -5.2257000000e-03 -1.1076300000e-02  3.8699000000e-03  4.1127000000e-03 -1.5115000000e-03  1.0499000000e-03 -1.8043000000e-03  1.6338000000e-03 -1.0095000000e-03 -3.8963000000e-03  2.4753000000e-03  3.6492000000e-03  1.3780000000e-04 -5.4365000000e-03 -8.9963000000e-03  5.5078000000e-03 -1.8675500000e-02  5.3214000000e-03  1.5012700000e-02  7.2698000000e-03 -5.9084000000e-03 -6.8184000000e-03 -9.6390000000e-03  5.5763000000e-03 -2.2973000000e-03  6.6570000000e-04 -6.7514000000e-03  4.5212000000e-03 -4.4342000000e-03 -3.0539000000e-03  1.1407000000e-03  2.7692000000e-03  1.0263000000e-02 -2.2478000000e-03

JOB 57
COORDS   1.6861700000e+00  2.0496000000e+00  9.2796000000e-01  1.5861900000e+00  1.9823000000e+00  1.8775400000e+00  7.8976000000e-01  2.0610900000e+00  5.9248000000e-01 -8.3128000000e-01  1.5991600000e+00 -4.9662000000e-01 -9.1562000000e-01  7.0247000000e-01 -1.7247000000e-01 -1.0549000000e-01  1.5618700000e+00 -1.1195800000e+00  8.9562000000e-01  1.1703300000e+00 -2.5376900000e+00  1.3213600000e+00  1.9693900000e+00 -2.8483000000e+00  3.2534000000e-01  9.0607000000e-01 -3.2596100000e+00 -3.9592000000e+00 -7.2406000000e-01 -2.9305000000e-01 -4.7069300000e+00 -8.7283000000e-01  2.8573000000e-01 -3.1949300000e+00 -9.3539000000e-01  2.4310000000e-01  1.8309800000e+00  1.4155200000e+00  3.6628100000e+00  1.8544500000e+00  2.0035700000e+00  4.4177100000e+00  1.4878300000e+00  5.9233000000e-01  4.0104300000e+00 -1.1736100000e+00  1.4473000000e-01 -4.2940400000e+00 -1.5469300000e+00  1.1764000000e-01 -5.1750200000e+00 -1.9092200000e+00  3.8061000000e-01 -3.7288200000e+00 -8.9509000000e-01 -1.0894500000e+00  8.8950000000e-02 -7.5520000000e-02 -1.2531500000e+00 -3.7767000000e-01 -8.2105000000e-01 -1.6048800000e+00  8.9212000000e-01  2.9017300000e+00 -5.0688000000e-01  1.0077100000e+00  2.6173700000e+00  4.0710000000e-01  1.0042100000e+00  2.3931300000e+00 -9.1913000000e-01  3.0941000000e-01  1.8424300000e+00 -1.5972200000e+00  3.1745400000e+00  2.3103400000e+00 -1.1539900000e+00  2.4668400000e+00  2.5293100000e+00 -1.8678100000e+00  3.7838100000e+00  1.2359200000e+00 -1.2151600000e+00 -1.4843200000e+00  1.3194600000e+00 -1.7473900000e+00 -2.2755100000e+00  1.3687900000e+00 -3.1609000000e-01 -1.7847500000e+00 -5.8338000000e-01 -2.5030800000e+00  2.5723300000e+00 -9.5348000000e-01 -2.7787900000e+00  3.4109300000e+00  3.3292000000e-01 -2.3066400000e+00  2.7673700000e+00 -2.9600800000e+00  1.2779700000e+00 -2.4284400000e+00 -2.2693300000e+00  1.7367400000e+00 -1.9502900000e+00 -3.5687400000e+00  9.8627000000e-01 -1.7497100000e+00
ENERGY -9.172006743951e+02
EMD0 -3.705711020000e+02
FORCES  -5.9129000000e-03  3.1354000000e-03  1.7258000000e-03 -3.5323000000e-03 -1.2271000000e-03 -1.3238600000e-02  1.0473100000e-02 -6.0060000000e-04  7.2133000000e-03 -5.1100000000e-05 -1.8237400000e-02 -4.6064000000e-03  8.1710000000e-03  1.6401400000e-02 -7.1638000000e-03 -3.3371000000e-03  8.5990000000e-04  1.0669800000e-02 -9.1439000000e-03 -1.1346800000e-02  3.8710000000e-03 -6.5562000000e-03 -2.1304000000e-03 -4.0801000000e-03  1.6236900000e-02  1.0698000000e-02  1.1421600000e-02  5.4040000000e-03 -2.7553000000e-03 -3.9124000000e-03  5.4329000000e-03 -9.7820000000e-04  2.1816000000e-03 -1.2770500000e-02  3.4340000000e-04  6.1568000000e-03  1.5413000000e-03 -3.4450000000e-03 -6.6418000000e-03 -2.3436000000e-03 -6.2742000000e-03  1.6066000000e-03  1.5294000000e-03  1.0836500000e-02  7.3497000000e-03 -9.8600000000e-03 -6.0780000000e-04  6.1322000000e-03 -4.9785000000e-03  4.8920000000e-04  3.0772000000e-03  1.2936100000e-02 -3.5334000000e-03 -1.7291100000e-02  7.7207000000e-03 -4.5512000000e-03 -8.0219000000e-03 -5.2891000000e-03  3.3707000000e-03  1.5942500000e-02  6.5242000000e-03  3.4909000000e-03 -1.4547200000e-02 -2.0116000000e-03  9.5813000000e-03 -5.5682000000e-03  2.8480000000e-03 -1.7291800000e-02  3.3314000000e-03  3.9960000000e-04  6.3012000000e-03  8.6822000000e-03  1.9959000000e-03  4.1137000000e-03 -2.5962400000e-02 -8.1469000000e-03 -1.0546300000e-02  2.5625200000e-02  1.8082000000e-03  5.1276000000e-03 -2.8844000000e-03 -1.0609900000e-02  1.1211900000e-02 -3.7996000000e-03  2.2692000000e-03  5.8784000000e-03 -2.0336000000e-03  1.9650000000e-04 -1.4295700000e-02  2.8009000000e-03  1.2108500000e-02  5.0716000000e-03  1.4460000000e-03  6.3294000000e-03  3.5310000000e-04  2.5528000000e-03 -1.5615800000e-02 -5.3947000000e-03 -1.2465000000e-03  9.0070000000e-04 -3.3245000000e-03  1.1280900000e-02 -6.9273000000e-03 -1.9681000000e-03 -9.3179000000e-03  2.2611000000e-03  1.1244300000e-02 -2.7512000000e-03

JOB 58
COORDS   7.0835000000e-01  3.6162400000e+00  1.9996000000e-01  1.5598000000e+00  3.2026700000e+00  5.7710000000e-02  9.7240000000e-02  3.0913600000e+00 -3.1701000000e-01 -6.5764000000e-01  1.3907600000e+00 -5.8390000000e-01 -1.0868700000e+00  1.5861800000e+00  2.4905000000e-01 -4.1182000000e-01  4.6812000000e-01 -5.1654000000e-01  1.1093700000e+00 -1.0802000000e-01 -2.6231100000e+00  1.8686700000e+00  4.5424000000e-01 -2.4695900000e+00  5.2785000000e-01  4.1849000000e-01 -3.1716100000e+00 -2.6828700000e+00 -2.0978400000e+00 -1.8361600000e+00 -3.0837900000e+00 -2.2326200000e+00 -2.6948400000e+00 -3.1352500000e+00 -2.7145500000e+00 -1.2606200000e+00  2.3141400000e+00  1.2250000000e-02  4.0701100000e+00  2.6135700000e+00  4.2693000000e-01  4.8792000000e+00  1.7382500000e+00  6.6163000000e-01  3.6665000000e+00 -6.0286000000e-01  8.3173000000e-01 -4.5085300000e+00 -6.1741000000e-01  1.3482800000e+00 -5.3142600000e+00 -1.0628400000e+00  1.3738100000e+00 -3.8675900000e+00 -7.7243000000e-01 -5.7105000000e-01  2.1407100000e+00 -6.7392000000e-01 -8.7404000000e-01  1.2380900000e+00 -2.1169000000e-01 -1.1543000000e+00  2.6521900000e+00  6.7332000000e-01  1.7730300000e+00  2.7326900000e+00  5.4901000000e-01  2.3000700000e+00  1.9433900000e+00 -8.8300000000e-02  1.1937400000e+00  2.7568600000e+00  1.8807500000e+00 -3.0557900000e+00  7.6199000000e-01  1.6444100000e+00 -3.7003300000e+00  9.4950000000e-02  1.2248300000e+00 -2.3646200000e+00  6.7091000000e-01 -3.3973000000e-01 -1.2226300000e+00 -6.6663000000e-01 -1.1282100000e+00 -1.6224200000e+00 -1.0336600000e+00  2.2021000000e-01 -1.0562100000e+00 -1.4249200000e+00  9.1540000000e-01 -2.2792000000e+00  3.3244300000e+00  1.4676700000e+00 -2.7460900000e+00  2.6973300000e+00  1.4461500000e+00 -1.5326700000e+00  3.6023400000e+00 -2.4215900000e+00  1.7424400000e+00 -2.8580100000e+00 -2.1194900000e+00  1.6034500000e+00 -1.9604300000e+00 -3.2961400000e+00  1.3539300000e+00 -2.8797600000e+00
ENERGY -9.171692776115e+02
EMD0 -3.213453360000e+02
FORCES  -2.7355000000e-03 -2.3710000000e-03 -8.0477000000e-03 -3.7574000000e-03 -1.5971000000e-03  1.0390000000e-04  5.4020000000e-04  3.3932000000e-03  7.2074000000e-03  1.4534600000e-02 -2.2982200000e-02 -5.5790000000e-04  3.6779000000e-03  1.4593000000e-03 -4.9974000000e-03 -2.9272000000e-03  1.6809000000e-02  3.4821000000e-03 -8.5450000000e-03 -4.6920000000e-04 -9.5883000000e-03 -4.1109000000e-03  4.2651000000e-03 -4.0155000000e-03  6.8141000000e-03  3.1421000000e-03  1.7302000000e-02  5.3517000000e-03  5.3997000000e-03 -2.5243000000e-03 -4.9245000000e-03 -4.3446000000e-03  5.8031000000e-03  9.5260000000e-04  6.5560000000e-04 -5.5343000000e-03 -1.9396000000e-03  4.4630000000e-03 -6.8362000000e-03 -2.7150000000e-03  5.3409000000e-03 -2.6541000000e-03  2.9110000000e-03 -1.2501300000e-02  1.4166400000e-02 -1.1377200000e-02 -1.7187000000e-03  6.6700000000e-03 -4.7667000000e-03  3.2519000000e-03  3.7945000000e-03  2.0523800000e-02 -1.7225000000e-03 -5.3379000000e-03  1.3090500000e-02 -1.7300000000e-02  7.2702000000e-03 -1.7830000000e-04  2.3580000000e-04  6.2330000000e-03 -4.3450000000e-03  1.6293100000e-02 -1.0521700000e-02  1.8534000000e-03 -2.4781000000e-03 -5.7780000000e-03 -7.8012000000e-03 -1.0671600000e-02  4.3706000000e-03  7.0784000000e-03  1.1929200000e-02  2.1638000000e-03  1.0870000000e-03  8.0580000000e-04 -9.7190000000e-04 -2.3793000000e-03  3.5907000000e-03 -6.9400000000e-05  3.5999000000e-03 -7.0506000000e-03  4.4809000000e-03 -1.4633000000e-03  8.5101000000e-03 -1.5920900000e-02  1.1940500000e-02  2.3202000000e-03  3.7702000000e-03 -1.8112600000e-02 -4.3828000000e-03  1.2729200000e-02  4.5891000000e-03  7.2300000000e-05  2.4805000000e-03 -1.3552000000e-03  9.7791000000e-03  5.1304000000e-03 -1.2846900000e-02 -8.0871000000e-03 -1.5102900000e-02  9.6238000000e-03 -3.1580000000e-03 -5.0609000000e-03 -1.3175200000e-02 -1.3002000000e-03 -1.0890300000e-02  1.2875000000e-03  4.1900000000e-04  7.2517000000e-03

JOB 59
COORDS   3.4786100000e+00  2.3142300000e+00 -4.1545000000e-01  4.0150800000e+00  2.6741200000e+00 -1.1217900000e+00  3.0202800000e+00  1.5749600000e+00 -8.1501000000e-01 -1.5405300000e+00  1.3730400000e+00 -1.3120800000e+00 -1.9042500000e+00  1.9208800000e+00 -6.1652000000e-01 -7.4764000000e-01  1.8320900000e+00 -1.5892800000e+00  1.6498500000e+00  3.3727000000e-01 -1.1940600000e+00  1.1061000000e+00 -2.7470000000e-01 -6.9801000000e-01  1.4706500000e+00  1.2869000000e-01 -2.1109100000e+00 -1.8648600000e+00 -7.2439000000e-01 -4.0214700000e+00 -2.2787400000e+00 -4.3896000000e-01 -4.8360100000e+00 -2.4178500000e+00 -3.5950000000e-01 -3.3306100000e+00  1.8681700000e+00  1.6367000000e+00  1.8707400000e+00  2.3103300000e+00  1.8451500000e+00  1.0477700000e+00  1.2713700000e+00  2.3709900000e+00  2.0152100000e+00  7.6787000000e-01 -3.5566000000e-01 -3.5686700000e+00 -1.5424000000e-01 -5.5372000000e-01 -3.7321300000e+00  1.2041200000e+00 -1.2073400000e+00 -3.5923500000e+00 -1.8611500000e+00  1.1946300000e+00  1.5993300000e+00 -1.4924500000e+00  4.5053000000e-01  2.0753700000e+00 -2.1069600000e+00  1.8185300000e+00  2.2823800000e+00  4.2975000000e-01 -1.5425300000e+00  4.8378200000e+00  1.2981500000e+00 -1.2965300000e+00  4.5190800000e+00  7.1370000000e-02 -2.1029800000e+00  4.1495600000e+00 -5.3112000000e-01 -1.3735300000e+00  2.0312700000e+00  4.1297000000e-01 -1.3079300000e+00  2.1748300000e+00 -6.2336000000e-01 -1.4746000000e+00  1.0839000000e+00 -1.0413200000e+00 -1.4536400000e+00 -7.8351000000e-01 -1.9316200000e+00 -1.7630100000e+00 -9.5053000000e-01 -1.0828000000e+00 -5.0954000000e-01 -9.3575000000e-01  2.3788100000e+00 -1.0503500000e+00  2.5569700000e+00  3.0329800000e+00 -1.4304000000e+00  1.9705800000e+00  2.3319500000e+00 -1.2957000000e-01  2.2996700000e+00 -3.6937700000e+00 -4.5491000000e-01 -1.4322000000e+00 -3.0900700000e+00  2.5204000000e-01 -1.2041700000e+00 -4.3419200000e+00 -4.5355000000e-01 -7.2784000000e-01
ENERGY -9.171679669011e+02
EMD0 -3.193036830000e+02
FORCES  -3.6287000000e-03 -2.2365000000e-03  2.6176000000e-03 -3.1365000000e-03 -6.1165000000e-03 -4.1438000000e-03  1.1290900000e-02  1.2851500000e-02  3.4956000000e-03  2.1898000000e-03 -3.6326000000e-03  3.4589000000e-03 -4.8300000000e-04  3.3676000000e-03 -1.2101600000e-02 -6.1866000000e-03  4.8056000000e-03  5.1911000000e-03 -7.0205000000e-03 -4.6459000000e-03 -1.6361600000e-02 -1.5450000000e-03  4.7400000000e-05 -6.1319000000e-03  8.0941000000e-03 -2.4833000000e-03  1.5379800000e-02  2.8956000000e-03 -3.0303000000e-03  3.1957000000e-03 -2.4274000000e-03  1.9492000000e-03  4.5524000000e-03  3.2170000000e-03  2.6357000000e-03 -8.8594000000e-03  1.9455000000e-03  1.5473000000e-03  3.7220000000e-04 -8.9014000000e-03 -4.1968000000e-03  4.6112000000e-03  3.0143000000e-03  3.5621000000e-03 -5.2779000000e-03 -1.8914500000e-02  5.4534000000e-03  1.5744000000e-03  1.9255900000e-02 -3.5333000000e-03  1.5571000000e-03 -2.9228000000e-03  2.9457000000e-03  4.0454000000e-03  6.9044000000e-03 -1.3445300000e-02  9.9240000000e-04 -1.0302500000e-02  1.8122800000e-02  2.0988000000e-03  2.8035000000e-03 -3.1548000000e-03 -1.0340000000e-04 -7.6670000000e-04  1.0896000000e-03 -3.6686000000e-03 -5.1169000000e-03 -1.8750000000e-03  1.6793000000e-03  5.9827000000e-03  3.0790000000e-04  1.4059000000e-03  3.7094000000e-03 -5.5410000000e-03 -4.3757000000e-03 -1.1124900000e-02 -2.2354000000e-03 -6.5921000000e-03  8.1705000000e-03  6.0004000000e-03  1.3065300000e-02 -8.4139000000e-03  3.4236000000e-03 -5.0027000000e-03  4.4286000000e-03  3.4895000000e-03  1.5167000000e-03  9.4160000000e-04 -1.1008500000e-02  2.2385000000e-03  1.8787000000e-03  7.8737000000e-03  4.6153000000e-03 -1.2023000000e-03  6.5081000000e-03 -2.3195000000e-03  5.5500000000e-03 -1.8690800000e-02 -4.4253000000e-03  5.4300000000e-05  1.5189000000e-03 -1.8639000000e-03 -5.0697000000e-03 -6.1564000000e-03  2.6448000000e-03  4.8365000000e-03  4.4826000000e-03  9.1900000000e-04

JOB 60
COORDS   7.3577000000e-01  2.2040600000e+00 -1.6311000000e-01  1.5390000000e-01  2.4992200000e+00 -8.6350000000e-01  9.5231000000e-01  1.3011100000e+00 -3.9554000000e-01 -1.8102600000e+00 -7.2812000000e-01 -1.3994000000e-01 -1.6269500000e+00 -2.9528000000e-01  6.9390000000e-01 -9.8043000000e-01 -1.1371300000e+00 -3.8554000000e-01  1.4592300000e+00 -6.8290000000e-01 -3.6129000000e-01  1.7937600000e+00 -1.2916000000e+00  2.9735000000e-01  1.2920400000e+00 -1.2287700000e+00 -1.1296100000e+00 -3.5461000000e-01 -3.4734000000e-01 -4.9058200000e+00 -2.0386000000e-01  2.3009000000e-01 -5.6542100000e+00 -1.1127200000e+00  3.0510000000e-02 -4.4600400000e+00  2.3399500000e+00  1.6112200000e+00  2.3950500000e+00  2.2656500000e+00  1.9712000000e+00  1.5112400000e+00  1.9745000000e+00  2.2901700000e+00  2.9622300000e+00  3.1428000000e-01 -1.8876300000e+00 -2.7304800000e+00  2.3123000000e-01 -1.4654000000e+00 -3.5854900000e+00 -2.5008000000e-01 -2.6586400000e+00 -2.7877400000e+00 -6.3464000000e-01  3.3694900000e+00  2.0252300000e+00 -8.2263000000e-01  2.4412100000e+00  1.8866900000e+00  1.4194000000e-01  3.5392700000e+00  1.4919900000e+00  3.2492200000e+00 -1.9645100000e+00  3.0636200000e+00  3.4359000000e+00 -2.6150900000e+00  3.7404600000e+00  3.8747400000e+00 -1.2592400000e+00  3.2296100000e+00 -1.3756000000e+00  7.4466000000e-01  2.2360100000e+00 -7.8608000000e-01  3.1159000000e-01  2.8533800000e+00 -2.1416800000e+00  9.7904000000e-01  2.7598500000e+00 -2.7816800000e+00 -2.7558000000e+00 -2.2019000000e+00 -2.5634500000e+00 -2.2850300000e+00 -1.3975500000e+00 -3.1686000000e+00 -2.0910100000e+00 -2.7716100000e+00  9.4001000000e-01 -1.9120000000e-01  3.7479500000e+00  1.3104800000e+00 -1.0733600000e+00  3.7756900000e+00  1.5053600000e+00  2.8756000000e-01  3.1418100000e+00 -2.1166600000e+00  6.2631000000e-01 -2.9642300000e+00 -2.0730500000e+00  1.3578000000e-01 -2.1434300000e+00 -2.6336800000e+00  1.4034600000e+00 -2.7521700000e+00
ENERGY -9.171732348014e+02
EMD0 -3.132091520000e+02
FORCES  -7.0610000000e-04 -4.2502000000e-03  3.3685000000e-03  1.1413000000e-03 -4.8553000000e-03 -7.0210000000e-04 -5.1069000000e-03  1.5088400000e-02 -4.1335000000e-03  1.2824000000e-03  9.2160000000e-03  1.8991500000e-02  3.3504000000e-03 -1.1991800000e-02 -1.2854900000e-02 -8.2318000000e-03 -7.2370000000e-04  2.6279000000e-03  3.3324000000e-03  8.9620000000e-04 -6.3505000000e-03 -3.7715000000e-03 -4.3902000000e-03 -7.6123000000e-03  4.8576000000e-03  6.3010000000e-04  1.8302400000e-02  3.0300000000e-05 -1.1526000000e-03  7.8933000000e-03 -6.9522000000e-03  4.0366000000e-03  2.8173000000e-03  7.8885000000e-03 -2.9956000000e-03 -1.3490300000e-02 -3.9920000000e-03 -5.0131000000e-03 -1.7843000000e-03  2.3954000000e-03  3.2728000000e-03  8.5912000000e-03  1.5738000000e-03 -2.8187000000e-03 -4.6056000000e-03 -2.0690000000e-04  7.3466000000e-03 -1.1733400000e-02 -3.8999000000e-03 -1.2381400000e-02  9.8689000000e-03  3.6228000000e-03  3.9710000000e-03 -4.1062000000e-03 -3.6230000000e-03 -1.3688200000e-02 -4.9346000000e-03  1.3880000000e-04  9.9315000000e-03  1.0892000000e-03  9.1470000000e-04  4.2870000000e-04  3.8688000000e-03  1.3887000000e-03 -3.2000000000e-06 -4.2507000000e-03  1.1591000000e-03  5.7459000000e-03  3.5100000000e-04 -4.6000000000e-04 -6.1860000000e-03  4.1299000000e-03  1.0993600000e-02  2.1261000000e-03  3.1152000000e-03 -1.9044100000e-02  6.6241000000e-03 -7.2142000000e-03  5.5242000000e-03 -1.3522000000e-03  1.5975000000e-03 -4.1564000000e-03 -5.2890000000e-04  3.8626000000e-03  1.4179000000e-03 -1.5702000000e-03 -9.9389000000e-03  1.9596000000e-03  4.6300000000e-04  4.3487000000e-03  1.5680000000e-02  8.2955000000e-03 -5.0620000000e-03 -1.0660000000e-03  3.7441000000e-03  7.3700000000e-05 -7.3577000000e-03 -9.1616000000e-03  8.4864000000e-03  4.9488000000e-03 -2.7578000000e-03  2.2525000000e-03 -6.0058000000e-03  6.7225000000e-03 -1.0964900000e-02  9.7980000000e-04 -2.7184000000e-03  4.1020000000e-03

JOB 61
COORDS   2.6448500000e+00  1.1504700000e+00 -1.4993900000e+00  1.8204100000e+00  8.0002000000e-01 -1.8366000000e+00  3.0641600000e+00  1.5518900000e+00 -2.2604900000e+00 -2.8532200000e+00 -2.6152500000e+00  6.3130000000e-02 -2.7171600000e+00 -1.7965600000e+00  5.4006000000e-01 -2.4008400000e+00 -3.2763000000e+00  5.8717000000e-01  1.1086000000e+00 -2.5218800000e+00  1.4756800000e+00  2.0513400000e+00 -2.6687800000e+00  1.3989300000e+00  8.1170000000e-01 -2.3928900000e+00  5.7488000000e-01 -1.3617000000e-01  6.7564000000e-01 -2.3059700000e+00 -6.7574000000e-01  6.8710000000e-02 -2.8126600000e+00 -7.6611000000e-01  1.2161700000e+00 -1.8292600000e+00  2.1206900000e+00  1.9645800000e+00  1.1233200000e+00  2.2797200000e+00  1.4688800000e+00  3.2007000000e-01  2.7758700000e+00  2.6622500000e+00  1.1084700000e+00  3.2523000000e-01 -1.6268900000e+00 -9.6071000000e-01  2.5140000000e-02 -7.2029000000e-01 -1.0259900000e+00 -4.1615000000e-01 -2.1478800000e+00 -1.2691900000e+00 -2.8338000000e-01  3.6650900000e+00  6.9449000000e-01 -1.4324000000e-01  4.1905000000e+00 -9.3250000000e-02  5.4993000000e-01  3.2153800000e+00  8.3441000000e-01  3.4784700000e+00 -4.7733000000e-01  1.6281200000e+00  3.3993500000e+00 -8.3994000000e-01  7.4580000000e-01  3.1691900000e+00  4.2475000000e-01  1.5454800000e+00 -2.4262700000e+00 -2.3141000000e-01  1.1928400000e+00 -1.5270700000e+00 -9.5080000000e-02  1.4913300000e+00 -2.9693100000e+00  7.8760000000e-02  1.9174900000e+00 -2.2253200000e+00 -1.6047400000e+00 -2.6483200000e+00 -2.3558500000e+00 -1.8346200000e+00 -1.7283400000e+00 -2.9382600000e+00 -2.0465600000e+00 -3.1095600000e+00  1.3448000000e-01 -1.6653000000e-01  2.0416000000e+00  5.4944000000e-01 -9.7952000000e-01  1.7533600000e+00  8.2884000000e-01  4.9001000000e-01  1.9863500000e+00 -1.9371000000e+00  1.7446600000e+00 -7.1107000000e-01 -2.1955400000e+00  1.0056800000e+00 -1.6030000000e-01 -1.4261800000e+00  2.3091900000e+00 -1.3098000000e-01
ENERGY -9.171876996167e+02
EMD0 -3.505703750000e+02
FORCES  -4.1301000000e-03 -9.7100000000e-05 -3.3592000000e-03  1.6581900000e-02  5.0685000000e-03  3.9530000000e-03 -4.6663000000e-03 -2.1424000000e-03 -2.6203000000e-03 -5.5306000000e-03  1.0827800000e-02  1.0633000000e-02  3.0946000000e-03 -1.6567300000e-02 -7.5839000000e-03  2.1600000000e-04  5.3413000000e-03  2.1466000000e-03 -4.8987000000e-03  7.5950000000e-03 -2.1881000000e-03 -2.4671000000e-03 -4.8450000000e-04 -9.2176000000e-03  6.5022000000e-03 -7.1000000000e-06  1.7629400000e-02 -1.8272300000e-02  8.2025000000e-03  5.7317000000e-03  2.2790000000e-03  5.4618000000e-03  7.6826000000e-03  1.5009000000e-02 -1.2494100000e-02 -1.0499100000e-02  1.9090000000e-03 -4.6200000000e-03 -7.4506000000e-03  2.0708000000e-03 -2.3280000000e-03  2.2089400000e-02 -2.7680000000e-03 -2.6871000000e-03 -4.0590000000e-03 -1.5060000000e-04  1.5257300000e-02 -9.8018000000e-03 -3.6461000000e-03 -1.2090700000e-02  5.2992000000e-03 -4.7620000000e-04  4.5754000000e-03  5.9162000000e-03  3.0862000000e-03  4.8660000000e-04  7.5702000000e-03  3.6583000000e-03 -5.7328000000e-03  1.4841000000e-03 -6.5319000000e-03  1.0835600000e-02 -7.6095000000e-03 -2.0014000000e-03  6.0748000000e-03  3.7110000000e-03 -3.4197000000e-03  2.3569000000e-03  3.9206000000e-03  9.9500000000e-04 -4.2650000000e-03 -9.9302000000e-03  1.5429400000e-02 -4.3857000000e-03  2.4516000000e-03 -2.8103100000e-02  2.4462000000e-03 -8.6355000000e-03  5.8358000000e-03  2.8750000000e-04  8.7910000000e-04 -5.0977000000e-03 -2.4497000000e-03  3.8455000000e-03  7.5748000000e-03  4.3452000000e-03 -1.2210800000e-02 -3.9500000000e-04 -1.0641000000e-03  3.8307000000e-03  1.0480900000e-02 -2.0660600000e-02  4.3776000000e-03 -6.9516000000e-03  1.9528700000e-02 -9.1248000000e-03  1.3344000000e-03 -9.0902000000e-03 -4.3118000000e-03 -2.9330000000e-03 -3.4516000000e-03  7.2737000000e-03  9.9154000000e-03  9.7102000000e-03 -3.8163000000e-03 -3.5333000000e-03 -1.3783600000e-02 -8.0067000000e-03

JOB 62
COORDS   2.3320700000e+00  1.0053700000e+00  1.0039000000e-01  1.9572700000e+00  5.0624000000e-01 -6.2531000000e-01  2.4297800000e+00  3.6613000000e-01  8.0612000000e-01 -3.4403700000e+00 -2.5333000000e-01 -1.9490000000e-01 -3.1636500000e+00 -1.1024000000e+00 -5.3948000000e-01 -3.6781200000e+00 -4.2968000000e-01  7.1538000000e-01  2.1375900000e+00 -1.0534500000e+00  1.9845100000e+00  2.8729300000e+00 -1.5599300000e+00  2.3294500000e+00  1.7879000000e+00 -1.5913800000e+00  1.2741700000e+00  5.7225000000e-01 -9.1800000000e-02 -1.9092000000e+00  7.3221000000e-01  3.8331000000e-01 -2.7246200000e+00 -2.6221000000e-01  2.5235000000e-01 -1.5906600000e+00 -8.6630000000e-02  3.9148500000e+00 -1.9286400000e+00  4.4664000000e-01  4.1606600000e+00 -2.6845700000e+00 -9.0286000000e-01  3.5878700000e+00 -2.3068900000e+00  1.0717500000e+00 -2.4788100000e+00  1.9540000000e-02  1.3079000000e-01 -2.3560800000e+00 -1.0606000000e-01  1.4660100000e+00 -2.1576700000e+00 -7.9142000000e-01  6.4100000000e-03  2.6692300000e+00  6.5584000000e-01  1.3942000000e-01  3.3443200000e+00 -9.5900000000e-03  7.5884000000e-01  2.0854900000e+00  5.5924000000e-01  4.0507400000e+00 -2.6701600000e+00  2.9019100000e+00  4.3055000000e+00 -3.0000700000e+00  3.7635900000e+00  4.0620600000e+00 -3.4423100000e+00  2.3363400000e+00 -1.5217700000e+00 -2.4065900000e+00  9.4174000000e-01 -1.2845700000e+00 -1.7486600000e+00  1.5952600000e+00 -1.1014400000e+00 -3.2105400000e+00  1.2470400000e+00 -2.7828800000e+00  8.0300000000e-03 -3.4040400000e+00 -2.2627300000e+00  5.8502000000e-01 -2.8448000000e+00 -3.6572000000e+00  2.0670000000e-02 -3.0146300000e+00 -7.4492000000e-01  5.4780000000e-02  2.3184600000e+00  1.7255000000e-01 -2.0400000000e-01  2.2317500000e+00 -8.0385000000e-01  8.8933000000e-01  1.8533800000e+00 -1.6263400000e+00  1.3944900000e+00 -1.4588300000e+00 -2.4367900000e+00  1.1529400000e+00 -1.0104500000e+00 -1.1853900000e+00  1.9902900000e+00 -8.5317000000e-01
ENERGY -9.171778744685e+02
EMD0 -3.352098100000e+02
FORCES   5.2465000000e-03 -9.6738000000e-03  2.7993000000e-03  6.3086000000e-03  1.3027000000e-03  1.0762400000e-02 -4.8565000000e-03  5.2803000000e-03 -1.6439300000e-02  4.5985000000e-03 -8.5660000000e-04  2.2917000000e-03 -5.7933000000e-03  3.3395000000e-03  2.1233000000e-03 -6.4850000000e-04 -3.5582000000e-03 -3.0972000000e-03  5.6618000000e-03 -1.6124200000e-02  1.8979000000e-03 -7.3222000000e-03 -1.6668000000e-03 -1.3036300000e-02  1.1098700000e-02  1.0416700000e-02  8.3201000000e-03 -1.7805400000e-02  6.5660000000e-03  1.4650000000e-03 -1.0114000000e-03  2.1120000000e-03  2.9041000000e-03  1.2899300000e-02 -2.4574000000e-03 -4.0570000000e-03  1.1530000000e-03 -8.3500000000e-05  4.1309000000e-03 -6.3081000000e-03 -2.5440000000e-03 -2.5211000000e-03  6.1189000000e-03  2.7080000000e-03 -1.3682000000e-03 -9.4269000000e-03  3.1537000000e-03  7.5709000000e-03  1.2362500000e-02 -3.4756000000e-03 -3.1409000000e-03 -1.8004000000e-03 -1.4132000000e-03  5.3098000000e-03  1.5762400000e-02  5.0280000000e-03  2.7213000000e-03 -1.7577000000e-03 -9.8757000000e-03  3.0841000000e-03 -1.8714500000e-02  7.2852000000e-03 -3.1140000000e-04 -5.7948000000e-03  1.0865700000e-02 -3.5320000000e-04  6.8420000000e-04 -5.9237000000e-03 -5.2638000000e-03 -3.6200000000e-05  6.9250000000e-04  5.5891000000e-03 -2.3644000000e-03  7.8775000000e-03  5.0799000000e-03  2.5633000000e-03 -1.9187500000e-02 -4.8951000000e-03  4.6292000000e-03  7.3236000000e-03 -5.4900000000e-04  6.6268000000e-03  5.1129000000e-03  4.2918000000e-03 -7.9402000000e-03 -2.7021000000e-03  3.4861000000e-03  4.0950000000e-03  1.9582000000e-03  1.8468000000e-03  2.6625000000e-03  7.6251000000e-03  4.6376000000e-03 -1.3434200000e-02  2.3097000000e-03 -7.3929000000e-03  4.9088000000e-03 -7.2696000000e-03  2.0683000000e-03  7.7440000000e-04 -1.0241400000e-02  2.3069000000e-03  8.6726000000e-03  1.1849500000e-02 -1.0754700000e-02 -1.1812200000e-02 -5.7539000000e-03 -1.1507300000e-02

JOB 63
COORDS   1.6848500000e+00  9.6426000000e-01 -1.1101800000e+00  1.3674600000e+00  3.6502000000e-01 -1.7857700000e+00  1.8913000000e+00  3.9902000000e-01 -3.6579000000e-01 -2.5127000000e-01 -3.6617600000e+00  1.1916400000e+00 -1.5684000000e-01 -3.4679500000e+00  2.1242500000e+00 -6.1839000000e-01 -2.8614600000e+00  8.1618000000e-01  1.8684600000e+00 -1.2574200000e+00  1.0434300000e+00  2.8131100000e+00 -1.3258800000e+00  1.1819400000e+00  1.6755000000e+00 -1.9155500000e+00  3.7570000000e-01  5.2884000000e-01 -9.2230000000e-01 -2.7249700000e+00  4.6777000000e-01 -1.8052800000e+00 -2.3605000000e+00 -2.0293000000e-01 -4.4841000000e-01 -2.3297900000e+00 -8.5977000000e-01  4.8608100000e+00  1.9585000000e-01 -1.6358500000e+00  5.4166800000e+00  1.2555000000e-01 -1.2668000000e-01  5.4753500000e+00  2.2981000000e-01  1.3713400000e+00 -3.1162600000e+00 -8.7290000000e-01  1.8001100000e+00 -3.7044300000e+00 -1.4945600000e+00  7.1093000000e-01 -3.6604500000e+00 -4.4401000000e-01 -2.1126000000e-01  1.9274600000e+00  5.0599000000e-01 -4.8062000000e-01  2.8459300000e+00  4.9695000000e-01  5.5089000000e-01  1.8951700000e+00 -7.2200000000e-02  2.3298400000e+00 -7.7857000000e-01  4.0892100000e+00  1.3993800000e+00 -9.7424000000e-01  3.9788500000e+00  2.4237300000e+00 -5.7603000000e-01  5.0200100000e+00 -1.7742500000e+00 -1.8603000000e+00 -9.1200000000e-02 -1.5267800000e+00 -1.3537600000e+00  6.8237000000e-01 -2.4947100000e+00 -2.4159400000e+00  2.0617000000e-01 -2.5371700000e+00  3.5094400000e+00 -2.8515700000e+00 -2.3393800000e+00  4.1082100000e+00 -2.1314500000e+00 -2.3605800000e+00  2.6388000000e+00 -2.4951500000e+00 -6.4306000000e-01 -3.1563000000e-01  1.8997000000e+00  1.6585000000e-01 -7.3683000000e-01  1.6090200000e+00 -6.0681000000e-01  5.6196000000e-01  1.5192100000e+00 -1.5036700000e+00  6.8532000000e-01 -1.4638000000e+00 -1.8136300000e+00 -1.1738000000e-01 -1.0444700000e+00 -9.3518000000e-01  1.0932100000e+00 -8.1059000000e-01
ENERGY -9.171622567284e+02
EMD0 -3.147979800000e+02
FORCES  -2.7996000000e-03 -1.3580300000e-02 -1.3476400000e-02 -9.2380000000e-04  8.3759000000e-03  1.3937000000e-02 -5.6627000000e-03  7.1858000000e-03 -6.3423000000e-03 -9.4870000000e-04  4.6077000000e-03 -8.1011000000e-03 -5.9104000000e-03  5.9663000000e-03 -3.0643000000e-03  6.4104000000e-03 -8.5020000000e-04  9.5935000000e-03  9.3450000000e-04 -8.7027000000e-03  1.5647000000e-03 -7.5630000000e-04 -3.7117000000e-03 -1.0258700000e-02 -2.0680000000e-04  1.0223700000e-02  1.1733400000e-02 -4.5199000000e-03  2.0933000000e-03  1.0349000000e-03 -6.2416000000e-03  4.8615000000e-03 -3.9943000000e-03  1.7767700000e-02 -9.6046000000e-03  4.0974000000e-03 -7.9100000000e-05 -1.5759000000e-03  6.3060000000e-04  5.6664000000e-03  3.0232000000e-03 -1.3860000000e-03 -5.9655000000e-03  2.4433000000e-03  2.7570000000e-04  2.0044000000e-03  4.9327000000e-03  1.3782700000e-02 -8.1066000000e-03 -3.9627000000e-03  2.6297000000e-03  4.0388000000e-03  4.0068000000e-03 -1.2825700000e-02  5.7895000000e-03 -1.0279400000e-02 -5.5869000000e-03  9.2821000000e-03 -9.6901000000e-03 -5.1656000000e-03 -1.9955400000e-02  7.5910000000e-03  9.8905000000e-03  7.4930000000e-04  1.8463000000e-03 -3.4491000000e-03  3.1735000000e-03 -9.0370000000e-04  7.4115000000e-03 -4.6331000000e-03 -1.9076000000e-03 -2.2052000000e-03  3.3889000000e-03  7.0878000000e-03  7.2689000000e-03 -1.4114000000e-03 -2.3981100000e-02 -1.7540900000e-02  6.9457000000e-03  1.9842000000e-03  6.6462000000e-03  8.9900000000e-04 -3.5344000000e-03 -2.8085000000e-03 -1.5029000000e-03 -2.8840000000e-03  4.3850000000e-04 -1.3266000000e-03  1.0780600000e-02  1.2062000000e-03  1.3504900000e-02  2.2707700000e-02  1.5141000000e-03 -1.9549500000e-02 -2.8052000000e-03 -6.2063000000e-03 -1.5096000000e-03 -1.5969900000e-02  1.4009000000e-03  1.4461000000e-03  7.2773000000e-03  1.4157000000e-02  1.0269900000e-02  7.3186000000e-03  5.9080000000e-04 -2.6140000000e-04 -1.0370100000e-02 -7.3929000000e-03

JOB 64
COORDS   2.6828200000e+00  8.5286000000e-01  8.5073000000e-01  2.8508800000e+00  5.5826000000e-01 -4.4360000000e-02  2.0276200000e+00  2.4076000000e-01  1.1858100000e+00 -1.6046300000e+00 -2.7108400000e+00 -1.2816500000e+00 -1.6847300000e+00 -1.8038500000e+00 -1.5769100000e+00 -2.4892500000e+00 -2.9530700000e+00 -1.0077600000e+00  1.0110200000e+00 -1.2361300000e+00  1.7826100000e+00  1.5135600000e+00 -1.6775300000e+00  2.4673300000e+00  1.2670600000e+00 -1.6791100000e+00  9.7363000000e-01  3.3345900000e+00 -2.8556000000e-01 -1.6658800000e+00  3.2206900000e+00  5.3620000000e-02 -2.5537000000e+00  2.8442600000e+00 -1.1076000000e+00 -1.6582900000e+00 -9.6320000000e-01  4.1611200000e+00 -1.0905300000e+00 -1.7345800000e+00  3.9455200000e+00 -1.6146700000e+00 -6.1847000000e-01  4.9605300000e+00 -1.4884400000e+00  1.1114200000e+00 -2.6170100000e+00 -6.3948000000e-01  9.6892000000e-01 -3.5124300000e+00 -9.4633000000e-01  3.1215000000e-01 -2.1499000000e+00 -8.8277000000e-01  9.7880000000e-02  1.8825500000e+00 -1.4836000000e-01 -1.4570000000e-02  2.7928100000e+00 -4.2227000000e-01  1.0422100000e+00  1.7832400000e+00 -2.7450000000e-02  3.9581400000e+00 -1.1270300000e+00  2.4737200000e+00  3.7017100000e+00 -2.3786000000e-01  2.2290900000e+00  4.8402100000e+00 -1.2293200000e+00  2.1163400000e+00 -3.3674500000e+00 -1.6664200000e+00  1.0350100000e+00 -3.5248900000e+00 -9.6505000000e-01  1.6670900000e+00 -2.4156900000e+00 -1.7673100000e+00  1.0206200000e+00 -3.1954600000e+00  2.3315600000e+00 -2.0796600000e+00 -4.0339600000e+00  1.8849100000e+00 -2.1964800000e+00 -2.5653600000e+00  1.6254400000e+00 -1.9361500000e+00 -1.4692500000e+00  2.5102000000e-01  2.0355900000e+00 -7.8443000000e-01 -3.1855000000e-01  2.3860800000e+00 -9.9569000000e-01  9.1699000000e-01  1.5371300000e+00 -1.6391400000e+00  1.5143000000e-01 -1.1414600000e+00 -2.0935600000e+00  5.5620000000e-02 -3.0447000000e-01 -9.3393000000e-01  7.7326000000e-01 -9.6186000000e-01
ENERGY -9.171820313072e+02
EMD0 -3.351156130000e+02
FORCES   4.6041000000e-03 -1.1186100000e-02  1.2202000000e-03 -1.4117200000e-02  3.7280000000e-03  1.0930100000e-02  1.0773600000e-02  5.9091000000e-03 -1.1194700000e-02 -1.4460000000e-04  3.3109000000e-03  9.5990000000e-04  3.3860000000e-04 -1.2933400000e-02  3.2153000000e-03  1.9464000000e-03  4.5718000000e-03 -3.1473000000e-03  8.7580000000e-04 -9.0541000000e-03 -8.2056000000e-03 -5.2946000000e-03 -7.9260000000e-04 -3.8743000000e-03  3.2202000000e-03  1.3822000000e-02  9.7592000000e-03  4.9267000000e-03 -7.3120000000e-04  2.0929000000e-03 -2.9179000000e-03 -5.6347000000e-03  1.1534000000e-03  2.2843000000e-03  9.4829000000e-03 -5.7618000000e-03 -4.5757000000e-03 -7.3233000000e-03  5.2913000000e-03  1.1818400000e-02  9.9380000000e-03 -1.0582000000e-03 -4.5088000000e-03 -2.3905000000e-03 -3.2118000000e-03 -1.2234300000e-02 -9.2265000000e-03  3.8927000000e-03  6.4090000000e-04  1.9191000000e-03 -2.7650000000e-03  9.6056000000e-03  3.3549000000e-03 -2.0040000000e-04 -5.0116000000e-03  6.6971000000e-03 -1.7364000000e-03  1.4642500000e-02 -1.3880300000e-02  4.0735000000e-03 -9.7470000000e-03  7.7227000000e-03 -9.2320000000e-03 -2.3157000000e-03  5.2103000000e-03 -3.6978000000e-03  3.4093000000e-03 -8.2315000000e-03  4.9090000000e-03 -1.3817000000e-03  3.8095000000e-03 -3.3770000000e-04  2.5717000000e-03  2.6209000000e-03  5.9321000000e-03 -1.1303000000e-03 -3.1190000000e-03 -1.6371000000e-03 -4.4001000000e-03  1.0690000000e-04 -2.4056000000e-03  1.4026000000e-03 -8.1947000000e-03  3.7176000000e-03  3.0878000000e-03 -3.9664000000e-03 -4.5400000000e-05 -6.0963000000e-03  1.0628800000e-02 -3.5955000000e-03  6.8747000000e-03  8.7250000000e-04  1.0488000000e-03 -5.7980000000e-03  5.1883000000e-03  1.1159000000e-03 -3.9035000000e-03 -8.1698000000e-03  3.4084000000e-03  1.3382600000e-02  1.0849100000e-02  1.1901800000e-02  5.0527000000e-03  2.9658000000e-03 -6.7797000000e-03 -1.7881200000e-02 -7.8745000000e-03 -5.7358000000e-03

JOB 65
COORDS   2.1656700000e+00  2.1957000000e+00  6.9203000000e-01  2.5192200000e+00  1.7856700000e+00 -9.7340000000e-02  2.3643600000e+00  1.5759600000e+00  1.3939400000e+00  7.9791000000e-01 -2.9740000000e-01 -3.0762200000e+00  1.2587000000e+00  1.5705000000e-01 -3.7814700000e+00 -1.2551000000e-01 -9.0960000000e-02 -3.2208000000e+00  2.2462900000e+00 -3.8207000000e-01  1.8771700000e+00  3.1076900000e+00 -7.9935000000e-01  1.8669500000e+00  1.7305300000e+00 -8.8076000000e-01  1.2435100000e+00  2.4569000000e+00 -3.7077700000e+00 -9.5830000000e-02  3.3017400000e+00 -3.4402100000e+00 -4.5760000000e-01  1.8598900000e+00 -2.9969300000e+00 -3.2932000000e-01 -2.4590000000e+00  3.7154000000e+00 -1.0312000000e-01 -3.2406700000e+00  3.2105400000e+00 -3.2749000000e-01 -2.7914800000e+00  4.5831300000e+00  1.2653000000e-01  4.6406000000e-01 -1.2826800000e+00 -4.1471000000e-01 -4.5291000000e-01 -1.5136300000e+00 -2.6621000000e-01  4.3962000000e-01 -6.5590000000e-01 -1.1377500000e+00 -5.7846000000e-01  1.6367300000e+00 -5.5300000000e-03 -1.2087500000e+00  2.3264600000e+00  2.0241000000e-01  2.5593000000e-01  1.9652300000e+00  3.2929000000e-01  4.4183600000e+00 -1.9395400000e+00  2.1890100000e+00  4.8348200000e+00 -1.5406800000e+00  2.9530100000e+00  3.8669800000e+00 -2.6331900000e+00  2.5510300000e+00 -2.0086300000e+00 -1.7191400000e+00  2.1637000000e-01 -2.8372500000e+00 -2.1980400000e+00  2.3281000000e-01 -2.0551000000e+00 -1.1331300000e+00  9.7180000000e-01 -4.2776700000e+00  1.3024900000e+00 -1.6847600000e+00 -4.8706800000e+00  6.9095000000e-01 -2.1213100000e+00 -3.4139900000e+00  8.9762000000e-01 -1.7646200000e+00 -1.4595700000e+00  2.8238000000e-01  2.2940600000e+00 -8.6062000000e-01  2.0458000000e-01  3.0366500000e+00 -9.0826000000e-01  5.8276000000e-01  1.5715200000e+00 -1.7314700000e+00  1.7699000000e-01 -1.9060500000e+00 -1.9049600000e+00 -6.1364000000e-01 -1.3951300000e+00 -1.4018300000e+00  8.0842000000e-01 -1.2666300000e+00
ENERGY -9.171731692764e+02
EMD0 -3.240826590000e+02
FORCES   6.4401000000e-03 -7.5989000000e-03  5.8415000000e-03 -1.1864000000e-03  4.2600000000e-05  2.5188000000e-03  1.9668000000e-03  1.1689000000e-02 -6.5403000000e-03 -3.1299000000e-03 -3.0081000000e-03  6.0914000000e-03 -6.7974000000e-03  6.3900000000e-04 -1.0786000000e-03  1.2078100000e-02  2.7650000000e-04 -6.8061000000e-03  5.3109000000e-03 -1.0900200000e-02 -2.1822000000e-03 -9.9183000000e-03  4.9044000000e-03 -1.6799000000e-03  1.2758200000e-02 -6.3430000000e-04  9.5074000000e-03 -4.9825000000e-03 -8.6770000000e-04 -2.4530000000e-03 -3.8284000000e-03  2.5295000000e-03  4.6100000000e-05  1.1960100000e-02 -6.3937000000e-03  1.3281000000e-03  4.3805000000e-03  1.2407000000e-03 -1.4773000000e-03  5.1566000000e-03  6.8896000000e-03  5.5723000000e-03 -5.6765000000e-03 -3.1089000000e-03 -2.3071000000e-03 -1.4895800000e-02  2.3050000000e-04 -6.3591000000e-03 -5.4200000000e-05  1.1069100000e-02 -5.2158000000e-03 -1.1964200000e-02 -2.2049000000e-03  7.8199000000e-03  9.1182000000e-03  5.3429000000e-03 -8.8592000000e-03  8.1800000000e-03 -1.3588900000e-02  1.0973000000e-03 -2.1868400000e-02 -1.1095000000e-03  2.6214000000e-03 -1.4016000000e-03 -6.9120000000e-04 -5.3121000000e-03 -6.4848000000e-03 -2.4724000000e-03 -4.5920000000e-04  2.8890000000e-03  7.5235000000e-03  4.6094000000e-03  1.8673600000e-02  2.1507000000e-03  2.3312000000e-03 -9.4990000000e-04  6.5651000000e-03  4.2134000000e-03 -5.3925000000e-03 -1.1048400000e-02 -1.5448000000e-02  9.7588000000e-03 -2.8392000000e-03 -4.2706000000e-03  4.8796000000e-03 -3.3137000000e-03  2.7140000000e-04 -1.4981800000e-02  2.8112000000e-03  5.3671000000e-03  2.7740000000e-03  8.5251000000e-03 -2.9614000000e-03  1.6969000000e-03  3.7774000000e-03 -4.2637000000e-03 -3.6147000000e-03 -8.9076000000e-03  1.3735400000e-02  1.3815800000e-02  3.8528000000e-03  1.4921800000e-02  1.7690000000e-03  7.5751000000e-03 -3.5625000000e-03 -1.6478800000e-02 -8.9469000000e-03 -6.6578000000e-03

JOB 66
COORDS   1.4941300000e+00  1.2178600000e+00  1.2933900000e+00  1.8549500000e+00  8.4146000000e-01  2.0961100000e+00  2.2514500000e+00  1.3279500000e+00  7.1843000000e-01  1.8646000000e-01 -1.0161500000e+00 -2.6281600000e+00  5.7098000000e-01 -5.4392000000e-01 -3.3666600000e+00 -5.9311000000e-01 -5.1002000000e-01 -2.3993700000e+00  4.1056900000e+00  9.1167000000e-01  8.7690000000e-02  4.9437000000e+00  1.3683900000e+00  1.6100000000e-01  4.3385300000e+00  2.6410000000e-02 -1.9219000000e-01  3.5074700000e+00 -1.8437400000e+00  5.2196000000e-01  3.6210200000e+00 -2.7662800000e+00  2.9335000000e-01  2.8200600000e+00 -1.5333000000e+00 -6.7390000000e-02 -2.2262600000e+00  3.2763900000e+00  6.9633000000e-01 -2.4148000000e+00  3.2310200000e+00 -2.4102000000e-01 -2.5257900000e+00  4.1465800000e+00  9.5953000000e-01  1.0794200000e+00 -2.1878100000e+00 -3.8196000000e-01  3.5908000000e-01 -2.1570000000e+00  2.4763000000e-01  7.1803000000e-01 -1.8005500000e+00 -1.1792500000e+00 -9.4001000000e-01  9.5251000000e-01  3.9811000000e-01 -1.5996000000e+00  1.5590300000e+00  7.3473000000e-01 -1.1836000000e-01  1.2508700000e+00  7.8812000000e-01  2.0248000000e+00 -1.4938600000e+00  2.7498800000e+00  2.6759500000e+00 -1.4759500000e+00  3.4512400000e+00  2.5355800000e+00 -1.6281500000e+00  1.9515700000e+00 -3.4404200000e+00 -1.5826300000e+00 -1.9479000000e-01 -4.0944600000e+00 -2.2442600000e+00  3.0430000000e-02 -2.6567300000e+00 -1.8459300000e+00  2.8763000000e-01 -2.6799700000e+00  2.9185800000e+00 -1.8239700000e+00 -3.2290000000e+00  3.2087400000e+00 -2.5524000000e+00 -2.6042800000e+00  1.9718100000e+00 -1.9427800000e+00 -1.1125500000e+00 -1.4372800000e+00  1.4032800000e+00 -5.3127000000e-01 -1.4327000000e+00  2.1637600000e+00 -1.0304000000e+00 -5.5838000000e-01  1.0331300000e+00 -2.0532400000e+00  2.4368000000e-01 -2.1101200000e+00 -2.7313700000e+00 -3.7230000000e-01 -1.8327400000e+00 -1.6817500000e+00  5.7567000000e-01 -1.2928000000e+00
ENERGY -9.171896427253e+02
EMD0 -3.516976800000e+02
FORCES  -2.6647000000e-03 -5.6357000000e-03 -4.8531000000e-03  4.3883000000e-03  7.4008000000e-03 -3.4056000000e-03 -6.7212000000e-03  1.0170000000e-04  7.3941000000e-03 -1.3762700000e-02  2.4808000000e-03  8.0966000000e-03 -5.2603000000e-03  3.6503000000e-03  2.6500000000e-04  1.5681700000e-02 -1.5115000000e-03  1.7037000000e-03 -3.9156000000e-03 -5.1305000000e-03  2.3725000000e-03  1.3536000000e-03 -6.2388000000e-03 -1.5826000000e-03  4.5327000000e-03  9.9435000000e-03 -3.9900000000e-03 -2.3001500000e-02 -4.0127000000e-03 -4.4690000000e-04  1.7668000000e-03  2.0493000000e-03 -5.7000000000e-04  1.9926900000e-02  4.3785000000e-03  2.9187000000e-03  7.5130000000e-04 -6.4301000000e-03 -1.5198000000e-02  2.2083000000e-03 -9.9260000000e-04  1.5084700000e-02 -1.2968000000e-03  1.7499000000e-03 -7.9299000000e-03 -6.0203000000e-03  3.6663000000e-03 -2.0710000000e-03  4.7479000000e-03  2.0690000000e-04 -1.0963800000e-02 -9.6630000000e-04 -3.2513000000e-03  1.5727600000e-02  1.8810600000e-02  5.7548000000e-03  1.1571100000e-02  7.5734000000e-03 -8.9897000000e-03 -5.8598000000e-03 -2.2917300000e-02 -1.3916000000e-03  7.7180000000e-04  7.1398000000e-03 -8.0540000000e-03 -1.5246000000e-02  2.2012000000e-03  1.3039000000e-03 -4.5854000000e-03 -5.3049000000e-03  4.0505000000e-03  1.4914000000e-02  4.1452000000e-03  1.2211000000e-03  7.7922000000e-03  4.4627000000e-03 -1.8723000000e-03  3.0634000000e-03 -1.1487300000e-02 -2.7594000000e-03 -9.3984000000e-03  6.6175000000e-03 -7.0421000000e-03  1.0780000000e-02  4.6240000000e-04 -6.0192000000e-03 -1.6569000000e-03 -3.3404000000e-03  1.2416300000e-02  6.1341000000e-03 -3.3877000000e-03  2.2100600000e-02 -4.3696000000e-03 -2.0459000000e-03  6.3152000000e-03 -5.8017000000e-03  3.1539000000e-03 -2.0062900000e-02  9.0147000000e-03  7.6982000000e-03 -8.8630000000e-03  4.4689000000e-03  7.2522000000e-03  1.0664200000e-02 -3.6242000000e-03 -1.2781800000e-02 -1.1974000000e-03 -2.0520100000e-02

JOB 67
COORDS   1.6535400000e+00  1.0328200000e+00  1.2915900000e+00  1.9871600000e+00  2.1409000000e-01  1.6584600000e+00  2.4380400000e+00  1.5437900000e+00  1.0923500000e+00 -3.7874000000e-01 -1.6410500000e+00 -1.9727000000e+00 -4.2806000000e-01 -2.5496500000e+00 -1.6756600000e+00 -1.2799000000e+00 -1.3224700000e+00 -1.9212200000e+00  4.5370400000e+00  1.0833800000e+00  6.3820000000e-01  4.4209500000e+00  1.0011700000e+00 -3.0837000000e-01  4.9164200000e+00  2.4670000000e-01  9.0702000000e-01  3.4005800000e+00 -2.4018200000e+00  2.5846000000e-01  3.5039200000e+00 -3.1595800000e+00 -3.1717000000e-01  3.0492900000e+00 -1.7155800000e+00 -3.0891000000e-01 -1.8348300000e+00  3.5656200000e+00 -6.8200000000e-02 -2.4007800000e+00  3.7435300000e+00 -8.1939000000e-01 -1.9001000000e+00  4.3523600000e+00  4.7311000000e-01  2.0591100000e+00 -5.2213000000e-01 -9.2710000000e-01  1.4184600000e+00 -8.8812000000e-01 -1.5369000000e+00  1.5404700000e+00 -2.4507000000e-01 -1.7180000000e-01 -9.5822000000e-01  7.7487000000e-01  3.7602000000e-01 -1.2711200000e+00  1.6742800000e+00  2.7918000000e-01 -1.2446000000e-01  8.5932000000e-01  8.3856000000e-01  1.6655000000e+00 -1.5391000000e+00  2.3377300000e+00  1.9422400000e+00 -2.0107500000e+00  3.1233400000e+00  2.2357400000e+00 -1.8718700000e+00  1.6446700000e+00 -2.8760200000e+00 -2.4617000000e+00 -6.5270000000e-02 -3.3419800000e+00 -3.2946100000e+00  8.0900000000e-03 -2.7365900000e+00 -2.1841600000e+00  8.4013000000e-01 -3.0065500000e+00  3.4090900000e+00 -2.3785700000e+00 -3.9355400000e+00  3.1823700000e+00 -2.4212500000e+00 -2.5676100000e+00  2.5844600000e+00 -2.1698800000e+00 -1.7715100000e+00 -1.2595400000e+00  2.2130900000e+00 -8.4988000000e-01 -1.5180200000e+00  2.2100400000e+00 -1.7805000000e+00 -3.9796000000e-01  1.7961600000e+00 -2.4850600000e+00  8.9360000000e-02 -1.7502800000e+00 -3.0885400000e+00 -5.3938000000e-01 -1.3544000000e+00 -1.8108400000e+00  2.2658000000e-01 -1.0848200000e+00
ENERGY -9.171794157941e+02
EMD0 -3.303797630000e+02
FORCES   4.6834000000e-03  1.3430000000e-04  2.9070000000e-04  2.0698000000e-03  4.8010000000e-03 -1.7337900000e-02 -4.1265000000e-03 -4.6984000000e-03  3.4930000000e-03 -1.4430100000e-02  1.3244700000e-02 -1.1800000000e-04 -1.0499000000e-03  2.0074000000e-03 -2.0283000000e-03  5.8973000000e-03 -1.0075800000e-02  5.5788000000e-03  2.1419000000e-03  5.4120000000e-04  6.6960000000e-04  2.8950000000e-03 -1.7891000000e-03  4.7289000000e-03 -7.7920000000e-04  2.3807000000e-03 -4.5323000000e-03 -1.0462600000e-02  1.4283800000e-02 -1.0371600000e-02 -1.4758000000e-03  5.4425000000e-03 -5.4509000000e-03  9.4959000000e-03 -1.9013400000e-02  1.1525900000e-02 -4.8804000000e-03 -5.1090000000e-04 -1.7066800000e-02  5.1245000000e-03 -2.9467000000e-03  1.2567400000e-02 -5.4837000000e-03  2.2557000000e-03 -5.7636000000e-03 -8.4115000000e-03  3.2083000000e-03  4.6985000000e-03  1.1991300000e-02  1.9389000000e-03  8.6170000000e-03  2.8095000000e-03 -1.2041500000e-02 -9.7600000000e-05  1.0925000000e-02  4.3289000000e-03 -2.8250000000e-03  5.5806000000e-03 -1.5387100000e-02 -5.8500000000e-04 -1.6206500000e-02 -1.6428000000e-03 -4.7090000000e-04  4.2096000000e-03 -3.4071000000e-03 -3.8002000000e-03  2.1028000000e-03 -2.8903000000e-03 -4.3946000000e-03 -7.4897000000e-03  1.3662800000e-02  1.2540000000e-02  5.8340000000e-03  5.5336000000e-03  9.8367000000e-03  2.3122000000e-03  1.7948000000e-03  5.8058000000e-03 -1.1651600000e-02 -1.0589700000e-02 -1.2967400000e-02  5.4491000000e-03 -3.4710000000e-04 -2.1453000000e-03  3.1600000000e-03 -1.2025000000e-03  3.1452000000e-03 -4.0666000000e-03  1.2619400000e-02  9.6321000000e-03  5.8247000000e-03  7.3758000000e-03 -2.6677000000e-03 -6.0019000000e-03  3.0339000000e-03 -1.0611000000e-03 -7.6410000000e-04 -9.5895000000e-03  6.6641000000e-03  7.9552000000e-03 -6.4400000000e-05  9.3736000000e-03  6.9392000000e-03  3.3954000000e-03 -3.1255000000e-03 -1.0120800000e-02 -5.7868000000e-03 -1.2357600000e-02

JOB 68
COORDS   2.5771300000e+00  1.5124000000e+00  1.2131200000e+00  3.1536700000e+00  8.1644000000e-01  1.5285100000e+00  3.1310200000e+00  2.0409400000e+00  6.3858000000e-01 -1.3491000000e-01 -9.2694000000e-01 -3.2947600000e+00 -7.8340000000e-01 -2.7219000000e-01 -3.0359100000e+00 -2.5352000000e-01 -1.6422900000e+00 -2.6699100000e+00  4.0104100000e+00 -5.7986000000e-01  2.1820000000e+00  3.6699600000e+00 -1.2718000000e+00  1.6149500000e+00  4.6031600000e+00 -7.9740000000e-02  1.6209600000e+00  2.7987500000e+00 -1.9994200000e+00  1.0802000000e-01  2.1949500000e+00 -2.6692700000e+00 -2.1282000000e-01  2.4658600000e+00 -1.1805300000e+00 -2.5919000000e-01 -2.0503600000e+00  3.3311900000e+00 -7.9672000000e-01 -2.8099700000e+00  2.8310100000e+00 -1.0951300000e+00 -2.1666100000e+00  4.1984700000e+00 -1.1847100000e+00  1.6231300000e+00 -1.1686000000e-01 -1.5333200000e+00  9.4836000000e-01 -3.2493000000e-01 -2.1795500000e+00  1.1828300000e+00  4.5102000000e-01 -9.0096000000e-01 -3.4514000000e-01  1.3742100000e+00  2.3477000000e-01 -9.4078000000e-01  2.1105700000e+00  9.6160000000e-02  3.7136000000e-01  1.7395200000e+00  7.5381000000e-01  1.5449000000e+00 -1.5367000000e+00  2.8744200000e+00  2.4087300000e+00 -1.1351800000e+00  2.9682900000e+00  1.5906200000e+00 -2.0134200000e+00  2.0456400000e+00 -2.6572400000e+00 -2.1205700000e+00  2.1944000000e-01 -3.2785200000e+00 -1.6297100000e+00  7.5731000000e-01 -1.8239300000e+00 -2.0428600000e+00  6.8397000000e-01 -4.4440100000e+00  1.9927400000e+00 -1.6068800000e+00 -5.3978700000e+00  1.9171500000e+00 -1.6327900000e+00 -4.1284500000e+00  1.1952000000e+00 -2.0318400000e+00 -8.6050000000e-01 -9.3237000000e-01  1.9407200000e+00 -8.9040000000e-02 -1.2291300000e+00  2.4234400000e+00 -6.1109000000e-01 -7.6340000000e-02  1.5925200000e+00 -2.0413100000e+00 -8.6540000000e-02 -1.5138800000e+00 -2.3601200000e+00 -7.4661000000e-01 -8.9833000000e-01 -1.3946800000e+00  4.1356000000e-01 -1.0158900000e+00
ENERGY -9.171648685592e+02
EMD0 -3.280966820000e+02
FORCES   4.5337000000e-03 -1.0442200000e-02  1.2246100000e-02  1.0210900000e-02  7.5992000000e-03 -1.4113900000e-02  3.8657000000e-03 -6.6822000000e-03  3.5546000000e-03 -9.0472000000e-03  9.9010000000e-04  2.8968000000e-03  1.5244800000e-02  2.2783000000e-03  8.6850000000e-04  8.3603000000e-03  6.0937000000e-03  3.7318000000e-03 -5.2809000000e-03 -7.6323000000e-03  8.4650000000e-04 -1.2455000000e-03  1.5371700000e-02  1.3258500000e-02 -1.4425100000e-02  4.8417000000e-03 -4.4850000000e-03 -1.4605000000e-03  7.3449000000e-03 -1.8628000000e-02 -3.2970000000e-03  3.4283000000e-03  2.0742000000e-03  5.2720000000e-03 -1.0385000000e-02  1.9500200000e-02 -3.4544000000e-03 -1.6697000000e-03 -2.6760000000e-04  1.2323000000e-02  6.7297000000e-03 -6.7930000000e-04 -5.5603000000e-03 -2.1684000000e-03 -2.4129000000e-03 -1.2941400000e-02 -5.5860000000e-03 -2.5530300000e-02 -1.6613000000e-03  5.7060000000e-03  1.9751400000e-02  1.9541000000e-03 -8.7554000000e-03 -4.5844000000e-03 -4.8946000000e-03  5.0659000000e-03 -5.8477000000e-03  1.0586800000e-02 -1.3153600000e-02  7.6280000000e-03 -1.3285300000e-02  2.5951000000e-03 -3.7402000000e-03  2.0713000000e-03  8.5466000000e-03  2.9000000000e-04  8.1890000000e-04 -8.9983000000e-03 -9.4593000000e-03 -5.2071000000e-03  5.4210000000e-03  4.3576000000e-03  9.0180000000e-03 -3.4551000000e-03  1.1144000000e-02  1.9195000000e-03  3.4748000000e-03 -5.9624000000e-03 -9.0083000000e-03 -3.2913000000e-03 -1.2346300000e-02  1.7516000000e-03  3.7668000000e-03  3.9278000000e-03  2.5712000000e-03 -7.0115000000e-03 -3.7322000000e-03 -1.0692700000e-02  5.5262000000e-03 -1.8900000000e-04  9.5059000000e-03  5.4772000000e-03  8.1040000000e-03 -3.2030000000e-03 -1.5639000000e-03 -1.3210800000e-02  3.9562000000e-03 -7.0776000000e-03  7.2002000000e-03 -9.0230000000e-04 -1.5644400000e-02  1.1427500000e-02  5.7335000000e-03  1.8865900000e-02 -2.7005000000e-03 -4.1306000000e-03 -5.6066000000e-03 -4.9178000000e-03

JOB 69
COORDS   2.1737800000e+00  9.7336000000e-01  9.4438000000e-01  2.9903500000e+00  1.4217800000e+00  1.1642700000e+00  2.4244100000e+00  5.5350000000e-02  8.4103000000e-01 -9.9967000000e-01 -2.0654600000e+00 -2.6656300000e+00 -1.7368400000e+00 -1.5099100000e+00 -2.4122800000e+00 -5.8137000000e-01 -2.3014800000e+00 -1.8376600000e+00  4.8220700000e+00  1.5618400000e+00  1.8057800000e+00  5.2270400000e+00  1.7059600000e+00  2.6610300000e+00  4.9165900000e+00  6.2201000000e-01  1.6508000000e+00  4.3836800000e+00 -9.2497000000e-01  4.5454000000e-01  4.1169100000e+00 -1.8395800000e+00  3.6199000000e-01  4.2202800000e+00 -5.3906000000e-01 -4.0604000000e-01 -1.0810500000e+00  3.5190700000e+00 -1.2049500000e+00 -1.6244000000e+00  3.1219500000e+00 -1.8856100000e+00 -1.5058100000e+00  4.3559400000e+00 -1.0166500000e+00  1.0919300000e+00 -8.1561000000e-01 -1.2870600000e+00  1.0726100000e+00 -1.1451300000e+00 -2.1855500000e+00  4.1071000000e-01 -1.4359000000e-01 -1.2632100000e+00 -5.9865000000e-01  1.2045200000e+00  6.6653000000e-01 -5.2470000000e-01  2.1170600000e+00  3.8720000000e-01  2.9829000000e-01  9.4435000000e-01  8.7642000000e-01 -3.3830000000e-02 -3.0597600000e+00 -3.7205000000e-01 -6.5681000000e-01 -2.6890500000e+00  2.5301000000e-01  6.1613000000e-01 -2.3690700000e+00 -5.0140000000e-01 -2.0881500000e+00 -2.1200300000e+00  1.7040600000e+00 -2.4273800000e+00 -2.7535100000e+00  2.3364000000e+00 -2.2605600000e+00 -1.2670800000e+00  2.1027800000e+00 -3.1311500000e+00  1.7134800000e+00 -2.5318000000e+00 -3.2609600000e+00  1.2477100000e+00 -3.3579000000e+00 -3.0394200000e+00  1.0207800000e+00 -1.8775900000e+00 -2.1322900000e+00  3.4551000000e-01  2.8179600000e+00 -2.7953200000e+00  1.0279200000e+00  2.9225800000e+00 -1.6266500000e+00  6.1759000000e-01  2.0521100000e+00 -2.4036700000e+00 -3.7105000000e-01 -3.9657000000e-01 -2.4555000000e+00 -1.2296800000e+00  2.3320000000e-02 -1.8315300000e+00  1.4132000000e-01  1.7471000000e-01
ENERGY -9.171668615849e+02
EMD0 -3.138185880000e+02
FORCES   1.1785500000e-02  6.2758000000e-03  2.6186000000e-03 -5.1996000000e-03 -1.0471600000e-02 -7.2508000000e-03 -8.9120000000e-04  3.2284000000e-03  1.8180000000e-03  3.5985000000e-03 -1.0163900000e-02  1.7823300000e-02  2.6562000000e-03 -2.9933000000e-03 -2.2630000000e-04  5.1846000000e-03  1.6325400000e-02 -6.5503000000e-03 -2.8840000000e-04  1.7520000000e-04 -2.8329000000e-03  1.4264000000e-03 -6.6227000000e-03 -1.7114000000e-03 -1.1378000000e-03  1.0384000000e-02  6.9490000000e-03  3.9338000000e-03  2.8680000000e-04  2.4810000000e-03 -1.3745000000e-03  4.3744000000e-03 -5.2634000000e-03 -2.0747000000e-03 -5.2055000000e-03  4.1866000000e-03 -1.6000000000e-03 -3.1715000000e-03 -6.6933000000e-03  5.7769000000e-03  1.1947700000e-02  5.6164000000e-03 -1.9684000000e-03 -2.8259000000e-03 -2.3874000000e-03 -1.2244700000e-02 -2.4921000000e-03 -1.6252000000e-03  1.0726000000e-03  1.1320000000e-04  6.8681000000e-03  3.2902000000e-03 -5.2041000000e-03 -3.4389000000e-03  1.6230000000e-03  1.4057000000e-03 -6.5474000000e-03  7.1220000000e-03 -9.1366000000e-03  1.0541000000e-02 -1.7248900000e-02  3.2370000000e-04 -4.8192000000e-03  8.9900000000e-04  6.0908000000e-03 -3.5765000000e-03  6.9551000000e-03  3.3912000000e-03 -1.0996400000e-02 -1.0464600000e-02 -6.1553000000e-03 -4.5492000000e-03 -1.8310000000e-04  1.3009900000e-02  6.5292000000e-03 -1.7045000000e-03  5.6054000000e-03  3.2620000000e-03  7.4760000000e-04 -1.4120300000e-02 -1.2167300000e-02 -3.2901000000e-03 -2.6943000000e-03  3.3773000000e-03  1.9000000000e-05 -3.3605000000e-03  4.2250000000e-03 -1.3112000000e-03  6.3117000000e-03 -1.2871200000e-02  8.4054000000e-03  3.6937000000e-03 -4.5587000000e-03  3.5626000000e-03  1.5196000000e-03 -3.1601000000e-03 -1.4267400000e-02 -1.2050800000e-02  5.1635000000e-03  7.7692000000e-03  4.6583000000e-03  1.3431700000e-02  8.1080000000e-03  8.3125000000e-03 -4.5650000000e-04 -8.6870000000e-03 -1.0765000000e-02  6.7915000000e-03

JOB 70
COORDS   2.1828200000e+00  2.3511700000e+00  6.1370000000e-02  2.8032000000e+00  2.8681800000e+00  5.7523000000e-01  2.6912500000e+00  1.5995500000e+00 -2.4327000000e-01 -1.7258000000e-01 -2.2456300000e+00 -3.6156100000e+00 -5.3225000000e-01 -2.5687500000e+00 -2.7894900000e+00 -5.1898000000e-01 -2.8432500000e+00 -4.2782400000e+00  2.2685700000e+00  3.8032000000e-01  2.1763600000e+00  1.6413300000e+00  6.5299000000e-01  1.5067000000e+00  2.5359300000e+00 -4.9955000000e-01  1.9107100000e+00  3.0584700000e+00 -1.7852000000e-01 -5.6405000000e-01  3.4409000000e+00 -9.0765000000e-01 -1.0522600000e+00  2.1515000000e+00 -1.3626000000e-01 -8.6711000000e-01 -2.1267400000e+00  2.3549700000e+00 -1.0420400000e+00 -1.6778900000e+00  2.0744000000e+00 -1.8395700000e+00 -3.0363700000e+00  2.4831800000e+00 -1.3110500000e+00  7.5354000000e-01 -2.8179000000e-01 -1.9661800000e+00  6.4825000000e-01 -1.0265400000e+00 -2.5582100000e+00  2.3320000000e-02 -3.5831000000e-01 -1.3520400000e+00 -1.5999000000e-01  1.2398600000e+00  7.6994000000e-01 -8.9560000000e-01  1.5798600000e+00  2.6052000000e-01  5.5796000000e-01  1.8465500000e+00  5.8906000000e-01 -1.5769700000e+00 -3.3492500000e+00 -8.6385000000e-01 -1.1305700000e+00 -2.6775300000e+00 -3.4833000000e-01 -1.5798700000e+00 -4.1224000000e+00 -2.9953000000e-01 -1.9821500000e+00 -1.2775300000e+00  3.3689600000e+00 -2.6839300000e+00 -1.3797600000e+00  4.0118400000e+00 -1.3670800000e+00 -6.6990000000e-01  3.7796900000e+00 -1.3291600000e+00  1.5640500000e+00 -3.5065700000e+00 -1.3562900000e+00  1.2834500000e+00 -4.4213100000e+00 -4.9796000000e-01  1.2236700000e+00 -3.1756800000e+00 -2.8310000000e-02  8.5318000000e-01  4.3103400000e+00  6.8445000000e-01  7.9031000000e-01  3.6745300000e+00 -3.8300000000e-02  1.7746200000e+00  4.5693300000e+00 -8.6210000000e-01 -1.3550800000e+00  9.4489000000e-01 -1.5243100000e+00 -1.4714400000e+00  1.6261900000e+00 -7.2824000000e-01 -4.0837000000e-01  8.9952000000e-01
ENERGY -9.171655588764e+02
EMD0 -3.205466920000e+02
FORCES   1.1496000000e-03 -1.1039800000e-02 -5.9420000000e-04  2.6752000000e-03 -2.3571000000e-03 -3.3184000000e-03 -8.5435000000e-03  8.3437000000e-03  5.0412000000e-03  7.8010000000e-04  1.8857000000e-03 -2.1148000000e-03  9.0611000000e-03  8.8490000000e-03 -8.9353000000e-03 -2.9112000000e-03 -1.9811000000e-03  4.6901000000e-03  4.5375000000e-03 -1.0070000000e-04 -1.1470800000e-02  5.4550000000e-04  5.2650000000e-04  1.3120000000e-04 -2.7792000000e-03  7.9970000000e-04  1.9960000000e-04 -8.8343000000e-03  1.9102000000e-03 -7.4911000000e-03 -4.7673000000e-03 -2.1158000000e-03  5.0080000000e-04  1.2786300000e-02  5.2377000000e-03  1.1735900000e-02 -2.5680000000e-03  1.4872000000e-03 -9.8343000000e-03  3.7252000000e-03 -3.2752000000e-03  8.7041000000e-03  1.1316000000e-03  1.6550000000e-04 -3.6452000000e-03  6.1299000000e-03 -8.1309000000e-03 -6.0229000000e-03 -5.0148000000e-03  2.7719000000e-03  1.4537200000e-02  4.0441000000e-03 -2.8319000000e-03 -7.8339000000e-03  7.2677000000e-03  5.6364000000e-03  1.9459000000e-03  1.5711500000e-02 -7.9738000000e-03  1.9408000000e-03 -1.3568800000e-02 -8.8923000000e-03  4.3380000000e-03 -3.0454000000e-03  7.4774000000e-03  1.1640000000e-02 -3.2350000000e-04 -1.6306500000e-02 -1.2569700000e-02  1.3447000000e-03  3.4652000000e-03  2.8915000000e-03  7.5080000000e-03  2.9713000000e-03 -5.9547000000e-03  3.9259000000e-03  3.0996000000e-03  3.0720000000e-03 -1.1762900000e-02 -1.0607100000e-02 -2.6660000000e-04 -5.0786000000e-03  1.7932000000e-03  3.8581000000e-03  5.8337000000e-03 -1.1679000000e-03  1.5129000000e-03 -1.0600500000e-02  6.0512000000e-03 -2.6789000000e-03  3.0231000000e-03 -1.5000000000e-05 -2.3572000000e-03 -8.9006000000e-03  7.8584000000e-03  8.5028000000e-03  5.0796000000e-03 -3.7250000000e-04 -2.6316000000e-03 -8.7710000000e-04  1.0302000000e-02  1.5014800000e-02  4.1861000000e-03  4.9352000000e-03 -1.0916400000e-02 -1.0870700000e-02 -8.3989000000e-03 -1.6209000000e-03

JOB 71
COORDS   1.3402100000e+00  1.3213300000e+00  1.3279300000e+00  1.7834500000e+00  4.7595000000e-01  1.3992800000e+00  1.2333400000e+00  1.6134400000e+00  2.2331800000e+00 -3.5659000000e-01 -3.3876900000e+00 -1.7998900000e+00 -1.2761300000e+00 -3.4617500000e+00 -1.5445900000e+00 -1.7212000000e-01 -4.2002600000e+00 -2.2709900000e+00  2.7688200000e+00 -8.9193000000e-01  1.2996500000e+00  3.3527400000e+00 -2.5379000000e-01  8.8973000000e-01  2.1290300000e+00 -1.1032200000e+00  6.1975000000e-01  1.9332100000e+00  2.4192000000e+00 -3.9321900000e+00  2.6853100000e+00  1.8821100000e+00 -3.6829800000e+00  1.1734200000e+00  1.9278700000e+00 -3.6198900000e+00 -8.3030000000e-01  2.2590600000e+00 -2.2745600000e+00 -7.5479000000e-01  3.1277600000e+00 -2.6694000000e+00 -1.7130300000e+00  1.9676200000e+00 -2.5027900000e+00  1.5256100000e+00 -1.1076800000e+00 -1.1526900000e+00  1.1282300000e+00 -1.9713700000e+00 -1.0414700000e+00  7.8360000000e-01 -5.0350000000e-01 -1.1774000000e+00 -8.5115000000e-01  3.3103000000e-01 -4.1896000000e-01 -7.9630000000e-01  9.9696000000e-01 -1.1043500000e+00 -4.2075000000e-01  7.2928000000e-01  3.3759000000e-01 -2.4452300000e+00 -4.3398000000e+00 -1.2596000000e-01 -2.8526700000e+00 -3.5939700000e+00  3.1446000000e-01 -3.1258300000e+00 -5.0127600000e+00 -1.3755000000e-01 -7.1911000000e-01 -3.9904000000e-01  3.6150800000e+00 -2.5230000000e-02 -1.0020800000e+00  3.3484100000e+00 -6.0349000000e-01 -3.0311000000e-01  4.5604200000e+00  1.0277900000e+00  4.9553700000e+00 -3.1169100000e+00  1.4928900000e+00  5.5052400000e+00 -3.7474200000e+00  1.3231500000e+00  4.0657100000e+00 -3.3105700000e+00 -2.3063000000e-01  6.5390000000e-02  6.1953800000e+00  1.5217000000e-01 -3.9860000000e-02  7.0663700000e+00 -5.8076000000e-01  9.5626000000e-01  6.1931800000e+00 -3.0894800000e+00 -1.2475700000e+00  3.0401000000e-01 -3.6547600000e+00 -8.6655000000e-01  9.7596000000e-01 -2.4089100000e+00 -5.8970000000e-01  1.6165000000e-01
ENERGY -9.171314572191e+02
EMD0 -2.608661460000e+02
FORCES   1.4060700000e-02 -1.4518600000e-02  6.0300000000e-04 -4.3425000000e-03  8.3876000000e-03 -4.7619000000e-03  4.2741000000e-03 -3.5167000000e-03 -5.8800000000e-04 -7.0358000000e-03 -2.9003000000e-03  7.4807000000e-03  5.8934000000e-03  7.7250000000e-04 -1.1435900000e-02 -3.7343000000e-03  5.4920000000e-04 -3.0170000000e-04 -4.6133000000e-03 -3.9205000000e-03 -1.5303000000e-02 -8.3415000000e-03  4.7260000000e-03  3.7086000000e-03  8.8780000000e-04  9.7828000000e-03  1.9005800000e-02  2.3057000000e-03  1.8857000000e-03 -1.6414000000e-03 -5.0279000000e-03 -2.3594000000e-03  1.9700000000e-05  7.2626000000e-03  4.3065000000e-03 -1.0831000000e-03  4.6008000000e-03  8.4840000000e-04  1.2196000000e-02 -6.5851000000e-03 -1.0061400000e-02 -4.7455000000e-03  4.9283000000e-03  2.1639000000e-03  3.0263000000e-03 -1.0642600000e-02 -9.5070000000e-04 -8.0808000000e-03  7.9114000000e-03  9.8755000000e-03  1.0238400000e-02  9.9636000000e-03 -2.5739000000e-03 -2.2174000000e-03  3.7182000000e-03  9.2173000000e-03 -8.5100000000e-04 -1.9384000000e-03 -7.1838000000e-03  4.8820000000e-04 -9.7576000000e-03 -3.7658000000e-03 -1.1083000000e-02  5.3237000000e-03  3.3548000000e-03  1.5304000000e-03 -3.3862000000e-03 -1.4268900000e-02 -1.4114000000e-03 -1.3098000000e-03  4.6811000000e-03  2.6548000000e-03 -2.8650000000e-04 -1.0745000000e-03  9.8651000000e-03 -1.0940000000e-04  1.6794000000e-03  4.7688000000e-03 -2.0410000000e-04  4.3705000000e-03 -5.1455000000e-03  7.1492000000e-03 -4.8034000000e-03 -1.5780000000e-04  1.2263000000e-03 -3.2489000000e-03 -2.3780000000e-04 -1.0322400000e-02  8.7292000000e-03  7.7800000000e-04  2.3560000000e-04 -9.8130000000e-03 -1.0498600000e-02 -3.0784000000e-03  7.8893000000e-03 -2.1500000000e-04  2.7947000000e-03 -4.0259000000e-03  2.1633000000e-03  1.1796400000e-02  6.1190000000e-03 -4.9482000000e-03  2.5765000000e-03  2.4371000000e-03 -2.3364000000e-03 -1.6193400000e-02 -2.7898000000e-03  8.5163000000e-03

JOB 72
COORDS  -6.5505000000e-01  8.3394000000e-01  1.8657600000e+00 -1.1397400000e+00  8.3200000000e-02  2.2088400000e+00 -3.2590000000e-02  1.0546800000e+00  2.5586100000e+00  3.6716000000e-01 -4.3418300000e+00 -8.8642000000e-01 -3.9414000000e-01 -4.1418800000e+00 -1.4311000000e+00  4.1339000000e-01 -5.2979000000e+00 -8.8028000000e-01  1.7541600000e+00 -1.5537100000e+00  3.0669300000e+00  2.4611000000e+00 -2.1648200000e+00  3.2743200000e+00  1.7176500000e+00 -1.5446200000e+00  2.1104700000e+00 -1.0121200000e+00  1.7894700000e+00 -3.0508300000e+00 -1.1325400000e+00  8.4013000000e-01 -3.0289400000e+00 -2.3341000000e-01  1.9449900000e+00 -2.5163700000e+00  1.0765800000e+00  3.5213600000e+00 -1.4319600000e+00  6.1726000000e-01  3.8626900000e+00 -2.1992700000e+00  1.2717100000e+00  4.2960900000e+00 -9.0476000000e-01  1.2239400000e+00 -2.2663500000e+00  5.6196000000e-01  7.0876000000e-01 -2.9130700000e+00  7.9690000000e-02  1.2142800000e+00 -1.4880200000e+00  4.8700000000e-03  4.1890000000e-01  3.8240000000e-01 -5.1883000000e-01  5.4138000000e-01  1.2963200000e+00 -7.7568000000e-01  9.3580000000e-02  4.2733000000e-01  3.8027000000e-01 -1.5245600000e+00 -3.0320900000e+00 -3.1075400000e+00 -1.5839200000e+00 -2.1466900000e+00 -2.7486900000e+00 -1.2692400000e+00 -2.9041400000e+00 -4.0211400000e+00  1.1033100000e+00  1.5986700000e+00  3.9223100000e+00  6.3790000000e-01  1.0601200000e+00  4.5623000000e+00  1.9590200000e+00  1.1792000000e+00  3.8326700000e+00 -7.4543000000e-01  4.3374800000e+00 -3.3502200000e+00 -1.3479000000e+00  4.7951600000e+00 -3.9365500000e+00 -9.3228000000e-01  3.4093100000e+00 -3.4909500000e+00 -3.0889000000e-01 -5.4848000000e-01  4.8999500000e+00  4.5374000000e-01 -8.8523000000e-01  4.4296000000e+00 -1.0338300000e+00 -1.1016700000e+00  4.6089500000e+00 -1.6839600000e+00 -6.6983000000e-01 -1.9105100000e+00 -2.3320000000e+00 -5.3940000000e-02 -1.5685100000e+00 -8.6724000000e-01 -4.2505000000e-01 -1.4754500000e+00
ENERGY -9.171673913035e+02
EMD0 -3.176531830000e+02
FORCES   8.8021000000e-03  1.1197600000e-02  8.2162000000e-03  3.3588000000e-03  8.4600000000e-04  5.8430000000e-04 -1.4067000000e-02 -1.3294700000e-02 -1.1277500000e-02  7.2795000000e-03  4.9246000000e-03  2.7144000000e-03  6.0069000000e-03 -6.9770000000e-03  1.1479000000e-02 -5.5683000000e-03  9.7240000000e-04 -4.8830000000e-03 -6.6885000000e-03 -8.6116000000e-03 -2.0615600000e-02  5.4480000000e-04  1.2912000000e-03 -3.1489000000e-03  1.1169000000e-02  8.1402000000e-03  1.1765300000e-02 -6.8254000000e-03  8.2100000000e-05 -1.3535000000e-03  7.3942000000e-03  8.0649000000e-03  5.8741000000e-03 -3.1105000000e-03 -6.5410000000e-04 -4.1196000000e-03 -3.3769000000e-03  8.9491000000e-03 -3.0455000000e-03  4.8909000000e-03 -1.0222300000e-02  7.3712000000e-03 -2.8360000000e-04  2.5790000000e-03 -4.5912000000e-03 -1.4525000000e-03 -1.8309300000e-02 -3.5650000000e-04 -2.4898000000e-03  1.8356900000e-02 -1.4272000000e-03 -3.8058000000e-03 -8.1356000000e-03  5.3646000000e-03 -4.4639000000e-03  8.5088000000e-03  2.0838200000e-02 -8.6444000000e-03 -7.8331000000e-03 -6.1710000000e-04  9.8984000000e-03 -4.3348000000e-03 -2.1099500000e-02 -5.3185000000e-03  1.0785900000e-02  5.6040000000e-03  7.2379000000e-03 -8.4209000000e-03 -1.0643500000e-02 -1.2330000000e-03  6.4170000000e-03  2.2421000000e-03 -3.4477000000e-03  2.9050000000e-04  6.1468000000e-03  1.0580800000e-02 -1.5049000000e-03 -8.5477000000e-03 -4.1997000000e-03 -6.5720000000e-04  3.6876000000e-03 -1.3970000000e-04 -9.6970000000e-03  5.4479000000e-03 -3.4729000000e-03 -7.5592000000e-03 -1.9304000000e-03  8.3244000000e-03  9.9371000000e-03  2.9249000000e-03  3.5317000000e-03 -1.0287000000e-03  3.6400000000e-05 -1.1197600000e-02  1.1355500000e-02  7.8665000000e-03  3.7192000000e-03 -9.3870000000e-04 -3.8976000000e-03  8.1350000000e-03 -5.3552000000e-03  9.0292000000e-03  6.8041000000e-03  3.0944000000e-03 -9.8270000000e-04 -1.7891700000e-02 -2.2590000000e-03 -1.4655600000e-02

JOB 73
COORDS  -6.3547000000e-01  2.0425800000e+00  2.5827500000e+00 -7.3720000000e-01  1.5412400000e+00  3.3917900000e+00  2.5583000000e-01  2.3889700000e+00  2.6255400000e+00 -7.2839000000e-01 -2.2241300000e+00 -1.4090700000e+00 -1.3290000000e-01 -1.4918400000e+00 -1.5683400000e+00 -4.5441000000e-01 -2.8963300000e+00 -2.0330200000e+00  1.7615000000e+00 -1.4555900000e+00  2.9920000000e+00  2.5781600000e+00 -1.9275800000e+00  2.8291200000e+00  1.0759000000e+00 -2.0499700000e+00  2.6872200000e+00 -1.9489500000e+00  5.5525000000e-01 -3.7927600000e+00 -2.7853900000e+00  8.4174000000e-01 -4.1595400000e+00 -2.1880900000e+00  5.0120000000e-02 -3.0156500000e+00  3.0357900000e+00  8.9202000000e-01 -1.1315300000e+00  2.3470700000e+00  3.1381000000e-01 -1.4595100000e+00  2.9037500000e+00  1.7142700000e+00 -1.6034500000e+00 -3.6160000000e-02 -2.7843000000e+00  1.3723500000e+00 -2.3946000000e-01 -2.6310300000e+00  4.4964000000e-01 -8.4455000000e-01 -2.5653300000e+00  1.8358000000e+00 -7.0253000000e-01  2.4997000000e-01  1.7961000000e-01 -3.8960000000e-02  7.1244000000e-01 -3.3228000000e-01 -6.2629000000e-01  6.1818000000e-01  1.0598600000e+00  9.1021000000e-01 -2.9552000000e-01 -2.7966300000e+00  5.4333000000e-01  5.7265000000e-01 -2.6296100000e+00  9.1670000000e-01 -3.7385000000e-01 -3.7506000000e+00  1.9509300000e+00  1.9820200000e+00  2.2289800000e+00  2.5541700000e+00  2.1516700000e+00  1.5054100000e+00  2.2277700000e+00  1.1350700000e+00  2.5786700000e+00 -2.4881000000e-01  2.0372400000e+00 -2.4020400000e+00 -5.8996000000e-01  2.8282900000e+00 -1.9848000000e+00 -1.0261300000e+00  1.5833500000e+00 -2.7276100000e+00 -6.3362000000e-01 -5.5352000000e-01  3.6662300000e+00  1.6438000000e-01 -8.3736000000e-01  3.2203000000e+00 -4.8882000000e-01 -7.8027000000e-01  4.5848400000e+00 -2.7735400000e+00 -4.4674000000e-01 -1.4457000000e+00 -2.0742400000e+00 -1.0980300000e+00 -1.3906500000e+00 -2.5489900000e+00  2.0333000000e-01 -7.7994000000e-01
ENERGY -9.171592470061e+02
EMD0 -2.965705650000e+02
FORCES   1.0754600000e-02 -2.6900000000e-03  7.9430000000e-04  5.6814000000e-03  9.4369000000e-03  4.7370000000e-04 -7.3762000000e-03 -1.4074000000e-03  7.1130000000e-03 -3.2499000000e-03  8.5409000000e-03 -5.1604000000e-03 -1.0039300000e-02 -8.9672000000e-03  3.9499000000e-03  3.7058000000e-03  3.2340000000e-03  1.6466000000e-03 -1.3917200000e-02 -1.2377000000e-03 -8.7077000000e-03 -3.0678000000e-03 -2.6117000000e-03  7.4200000000e-05  5.1200000000e-05  1.3759900000e-02  1.9317800000e-02 -3.8746000000e-03 -9.0867000000e-03  1.2886600000e-02 -4.7100000000e-04 -1.6492000000e-03  3.7521000000e-03  1.2122100000e-02  1.2890500000e-02 -1.6143200000e-02  3.3370000000e-04 -6.5407000000e-03 -6.6854000000e-03  6.5700000000e-04  9.1367000000e-03  5.0782000000e-03 -2.1893000000e-03 -2.4459000000e-03  1.8005000000e-03  2.2018000000e-03  4.1917000000e-03 -1.4763800000e-02 -1.5705000000e-03 -4.7157000000e-03  1.3129100000e-02  5.6477000000e-03  7.7300000000e-05 -1.3960000000e-03 -2.9192000000e-03  3.5053000000e-03  8.2353000000e-03 -7.0030000000e-04 -4.4155000000e-03  2.2585000000e-03  3.5177000000e-03 -8.3734000000e-03 -1.5479500000e-02 -3.9558000000e-03  1.1178100000e-02 -3.7106000000e-03  7.4930000000e-04 -1.2835900000e-02 -2.5772000000e-03 -8.5400000000e-04  4.4875000000e-03  1.5694000000e-03 -1.3643900000e-02 -8.7320000000e-04  5.3800000000e-04  7.1840000000e-04 -2.6687000000e-03  4.9117000000e-03  4.4862000000e-03  6.7853000000e-03 -2.9929000000e-03 -4.2057000000e-03 -1.1178400000e-02 -1.2719700000e-02 -7.4754000000e-03 -3.0610000000e-03 -4.4652000000e-03  1.3246400000e-02  4.5937000000e-03  1.8196800000e-02  9.2500000000e-03  5.0830000000e-04 -5.6261000000e-03 -3.1690000000e-04 -1.4245800000e-02 -4.3970000000e-04  1.6348000000e-03  1.0407000000e-03 -2.7500000000e-03  9.2223000000e-03 -8.3114000000e-03  1.2086400000e-02 -6.3880000000e-04  1.4701200000e-02 -7.9432000000e-03 -3.5147000000e-03 -7.5250000000e-04 -6.2514000000e-03

JOB 74
COORDS   7.1533000000e-01  2.6425000000e-01  2.6377600000e+00  8.0326000000e-01 -1.2833000000e-01  3.5063100000e+00  1.1888900000e+00  1.0937400000e+00  2.7002500000e+00 -6.8435000000e-01 -1.4594400000e+00 -2.9343000000e+00  1.0005000000e-01 -9.2710000000e-01 -3.0668100000e+00 -5.8731000000e-01 -2.1869100000e+00 -3.5487900000e+00 -1.2165000000e+00 -2.2945500000e+00  3.5411700000e+00 -1.4347000000e+00 -2.0400200000e+00  2.6446000000e+00 -1.2517800000e+00 -3.2510700000e+00  3.5344300000e+00 -2.7781800000e+00  4.1007000000e-01 -3.3401500000e+00 -2.3959500000e+00 -4.5582000000e-01 -3.1974300000e+00 -3.4541400000e+00  4.8793000000e-01 -2.6669100000e+00  1.8934000000e+00  5.8169000000e-01 -4.7559000000e-01  1.9488200000e+00  4.8914000000e-01 -1.4266900000e+00  1.8907700000e+00 -3.1725000000e-01 -1.4674000000e-01  1.4469900000e+00 -1.6449000000e+00  1.0051700000e+00  1.1567000000e+00 -1.1633400000e+00  1.7798000000e+00  6.3712000000e-01 -1.9358700000e+00  5.8602000000e-01 -1.2218000000e+00  1.1498600000e+00  6.6281000000e-01 -4.6730000000e-01  1.0079500000e+00  9.1130000000e-02 -8.6077000000e-01  1.1190000000e+00  1.5487800000e+00  1.3690200000e+00  3.8211000000e-01 -3.2223800000e+00  6.8023000000e-01  1.0276900000e+00 -3.3805800000e+00  1.8789700000e+00  3.7188000000e-01 -4.0323700000e+00  2.2806100000e+00  2.5121700000e+00  1.4308300000e+00  3.2137200000e+00  2.7200000000e+00  1.3822300000e+00  2.1101800000e+00  1.9889200000e+00  6.4764000000e-01 -5.8298000000e-01  2.2679100000e+00 -4.1272700000e+00 -9.1971000000e-01  2.6084200000e+00 -4.9560700000e+00 -1.3236800000e+00  1.8003700000e+00 -3.7412600000e+00 -3.2114000000e-01 -2.6397000000e-01  5.2173500000e+00 -9.3843000000e-01 -8.8296000000e-01  4.8274300000e+00 -8.4935000000e-01  5.0947000000e-01  5.4148700000e+00 -8.3061000000e-01 -1.8292500000e+00 -2.1516000000e-01 -7.0906000000e-01 -1.9925200000e+00 -1.1504700000e+00 -1.5105600000e+00 -1.1567000000e+00 -1.7532000000e-01
ENERGY -9.171803095939e+02
EMD0 -3.288245870000e+02
FORCES   3.1220000000e-03 -3.7642000000e-03 -6.1426000000e-03  1.0929600000e-02  1.2183000000e-03 -1.3809700000e-02 -9.9130000000e-03 -8.8161000000e-03  1.0508400000e-02  1.0571200000e-02  1.4939800000e-02  4.0628000000e-03 -1.4304700000e-02 -1.4120600000e-02 -2.9795000000e-03  3.5129000000e-03  4.2914000000e-03  1.0559000000e-03  4.6161000000e-03  1.7132000000e-03  3.3751000000e-03 -1.6369000000e-03 -6.0040000000e-03  3.8523000000e-03 -2.5915000000e-03  2.1731000000e-03 -5.4468000000e-03  3.5190000000e-03 -4.5896000000e-03 -1.4046000000e-03 -1.2934900000e-02  5.2835000000e-03  2.1248000000e-03  2.7946000000e-03 -6.7998000000e-03 -5.0710000000e-04  1.5870000000e-03 -1.1765200000e-02  1.0028400000e-02  1.6640000000e-04 -7.6899000000e-03  9.0237000000e-03  2.0914000000e-03  1.4402900000e-02 -2.2998500000e-02 -1.7755100000e-02  1.4821900000e-02  5.7867000000e-03 -3.7901000000e-03 -1.1634300000e-02 -1.3112000000e-03  6.2320000000e-03  1.8490000000e-04  2.5933000000e-03  9.5090000000e-03  2.7690000000e-03  6.3799000000e-03 -8.5600000000e-03 -5.3800000000e-04  1.6578000000e-03 -4.1178000000e-03  4.0702000000e-03 -5.7329000000e-03 -9.4160000000e-04  1.2583300000e-02  2.3796000000e-03  6.1980000000e-03 -1.7947900000e-02  3.6455000000e-03 -4.2823000000e-03  4.6770000000e-04 -9.2700000000e-05 -1.5878000000e-03 -6.8167000000e-03 -1.0371100000e-02 -8.6040000000e-04 -1.4556000000e-03 -4.1794000000e-03  5.0793000000e-03  1.2863700000e-02  1.0914600000e-02 -3.6636000000e-03  2.8775000000e-03  6.6870000000e-04 -4.5617000000e-03 -1.8916000000e-03  2.3187000000e-03  1.3215000000e-02  6.5547000000e-03 -7.2532000000e-03  1.2299000000e-03 -5.7804000000e-03 -3.9313000000e-03 -8.7020000000e-04  1.3666000000e-02  5.9332000000e-03 -3.8718000000e-03 -5.0664000000e-03 -2.2911000000e-03  1.4856200000e-02  7.9876000000e-03 -1.1139000000e-03 -1.6109000000e-03  2.1040000000e-04  1.0348000000e-02 -1.3749000000e-03 -8.3989000000e-03 -7.0917000000e-03

JOB 75
COORDS  -1.9316000000e-01  7.8628000000e-01  2.2334000000e+00  2.4038000000e-01  3.3387000000e-01  2.9570000000e+00  3.2598000000e-01  1.5794700000e+00  2.1008300000e+00 -8.6187000000e-01 -1.8732300000e+00 -2.3543800000e+00  2.8720000000e-02 -1.5625400000e+00 -2.5173200000e+00 -9.9059000000e-01 -2.5771000000e+00 -2.9901800000e+00 -2.3093000000e-01 -3.2971100000e+00  3.3415300000e+00 -3.1990000000e-01 -3.6021100000e+00  2.4386000000e+00 -4.6065000000e-01 -4.0576200000e+00  3.8754700000e+00 -1.2700100000e+00  8.8790000000e-01 -2.2925600000e+00 -1.3550100000e+00 -6.2030000000e-02 -2.3740000000e+00 -1.8060600000e+00  1.1124800000e+00 -1.5320000000e+00  9.9204000000e-01  1.3696000000e+00 -8.6832000000e-01  1.9254000000e-01  1.1634800000e+00 -1.3526300000e+00  1.1921800000e+00  5.6883000000e-01 -3.8361000000e-01  1.2006600000e+00 -8.4173000000e-01  7.1906000000e-01  7.0569000000e-01 -2.6339000000e-01  1.2993700000e+00  5.7167000000e-01 -1.5138100000e+00  4.5653000000e-01 -2.2705600000e+00  1.3200600000e+00  3.9427000000e-01 -1.5582900000e+00  1.1734900000e+00  1.0167000000e+00 -2.9774700000e+00  1.6919500000e+00  9.2172000000e-01  1.3677700000e+00 -6.4564000000e-01 -3.5780000000e+00  9.4293000000e-01  7.2550000000e-02 -4.0469900000e+00  2.1254900000e+00 -2.4129000000e-01 -3.1553800000e+00  1.6726300000e+00  2.8223500000e+00  1.7984500000e+00  2.6195300000e+00  2.7876800000e+00  1.9341600000e+00  1.5476100000e+00  2.5166900000e+00  9.0002000000e-01  7.8555000000e-01  1.9966500000e+00 -3.9011800000e+00  1.6215000000e-01  1.6579600000e+00 -3.2586100000e+00  2.7221000000e-01  2.0994600000e+00 -4.7025200000e+00  9.3229000000e-01 -6.4284000000e-01  4.1905900000e+00  5.9423000000e-01 -1.4836800000e+00  3.8824900000e+00  1.5570600000e+00 -8.7283000000e-01  4.8783400000e+00 -2.0876400000e+00 -1.7378700000e+00  3.1855000000e-01 -1.6828400000e+00 -1.9396600000e+00 -5.2505000000e-01 -2.4974300000e+00 -8.8249000000e-01  1.8961000000e-01
ENERGY -9.171766937158e+02
EMD0 -3.418797030000e+02
FORCES   8.8865000000e-03 -3.3684000000e-03  1.4641000000e-02  1.2033000000e-03  9.5340000000e-04 -2.1216700000e-02 -6.8450000000e-03 -1.3454700000e-02 -6.4533000000e-03  8.6939000000e-03  4.4909000000e-03 -4.2900000000e-03 -1.8608200000e-02 -8.1233000000e-03  4.8073000000e-03  4.8386000000e-03  1.3473000000e-03  1.9980000000e-04 -2.8945000000e-03  2.4590000000e-03 -9.3030000000e-04  7.7130000000e-04 -6.2185000000e-03  5.1033000000e-03  4.2580000000e-04 -1.5113000000e-03 -5.8112000000e-03  4.1490000000e-04 -8.2570000000e-04  3.4718000000e-03  4.9710000000e-04  1.2507200000e-02  6.4159000000e-03  7.4710000000e-03 -1.1208700000e-02 -1.0696700000e-02 -1.1259000000e-02 -1.1731000000e-02 -8.2735000000e-03  6.7558000000e-03 -4.4870000000e-03  4.0011000000e-03 -7.2685000000e-03  1.3393200000e-02 -2.7947000000e-03 -1.0642100000e-02  1.3614800000e-02  1.4570800000e-02  1.0910300000e-02 -6.2026000000e-03 -1.0288400000e-02  1.5157000000e-03  2.3373000000e-03  1.5560000000e-03  9.6758000000e-03  2.2385000000e-03  6.9543000000e-03 -1.3650200000e-02  6.6140000000e-03 -8.0500000000e-03  3.4539000000e-03 -1.8966000000e-03  3.4310000000e-03  2.0978000000e-03  1.7238000000e-02 -5.3067000000e-03 -3.6576000000e-03 -7.4911000000e-03  2.4036000000e-03 -7.5400000000e-04 -2.2209000000e-03 -2.5319000000e-03 -4.9360000000e-04  2.8586000000e-03 -5.4320000000e-04 -9.8250000000e-04 -6.0760000000e-04 -5.6728000000e-03  3.9428000000e-03 -2.1544000000e-03  1.8369400000e-02 -1.5411000000e-03  4.7534000000e-03  1.2543300000e-02  8.5381000000e-03 -6.3654000000e-03 -1.1485400000e-02  3.4820000000e-04 -6.6075000000e-03  3.4115000000e-03 -2.2823000000e-03  5.1659000000e-03 -3.8218000000e-03  7.5789000000e-03  1.2325900000e-02  4.7260000000e-03 -2.5776000000e-03 -7.5437000000e-03 -4.5010000000e-04 -3.2596000000e-03  3.8666000000e-03 -1.2692000000e-03 -2.9173000000e-03  3.9844000000e-03  9.1193000000e-03  1.6135000000e-03 -8.1296000000e-03 -5.8393000000e-03

JOB 76
COORDS  -3.3000000000e-02  1.4262200000e+00  3.0265500000e+00  6.4081000000e-01  7.8710000000e-01  3.2583400000e+00  3.9304000000e-01  2.0057600000e+00  2.3950000000e+00 -1.4479000000e+00 -1.2166500000e+00 -2.3074500000e+00 -5.3705000000e-01 -1.1384300000e+00 -2.5911300000e+00 -1.8364500000e+00 -1.8431400000e+00 -2.9180000000e+00 -3.8624000000e-01 -3.2103200000e+00  2.9077600000e+00 -1.0709400000e+00 -3.3445700000e+00  3.5630400000e+00 -8.4339000000e-01 -2.8308700000e+00  2.1572500000e+00 -2.2168500000e+00  1.7850100000e+00 -2.7881600000e+00 -2.0239000000e+00  8.7758000000e-01 -3.0239100000e+00 -2.3841900000e+00  2.2198000000e+00 -3.6243300000e+00  4.8296000000e-01  1.6106600000e+00 -1.2707000000e+00 -4.5802000000e-01  1.5747700000e+00 -1.4424400000e+00  6.2833000000e-01  9.5160000000e-01 -5.9192000000e-01  6.2761000000e-01 -6.1016000000e-01  3.5060000000e-01  1.1576900000e+00 -1.0794100000e+00  9.9486000000e-01 -1.9104000000e-01 -1.1043300000e+00  3.0768000000e-01 -2.4080400000e+00  6.9224000000e-01  1.3383600000e+00 -1.4931000000e+00  9.3909000000e-01  1.4732200000e+00 -2.8128000000e+00  7.9106000000e-01  2.2001200000e+00  1.2043100000e+00 -1.2577600000e+00 -2.5423300000e+00  1.4985500000e+00 -1.4711400000e+00 -1.6568300000e+00  1.5299100000e+00 -3.7090000000e-01 -2.6962400000e+00  1.3787000000e+00  2.9564000000e+00  1.2614400000e+00  1.5192000000e+00  3.8544300000e+00  9.6138000000e-01  1.3258100000e+00  2.4401300000e+00  4.5714000000e-01  2.9557200000e+00  1.3103700000e+00 -3.0833400000e+00  3.1044000000e+00  1.9827200000e+00 -3.7482300000e+00  2.4590400000e+00  1.7567200000e+00 -2.3975500000e+00  1.8251300000e+00 -1.7009000000e+00  2.7652300000e+00  1.0820300000e+00 -2.2969000000e+00  2.8591000000e+00  2.5909100000e+00 -2.2384200000e+00  2.9674200000e+00 -1.9845400000e+00 -1.7702000000e+00  4.1076000000e-01 -1.9604000000e+00 -1.8339100000e+00 -5.4401000000e-01 -2.2709100000e+00 -8.7347000000e-01  5.8428000000e-01
ENERGY -9.171832110938e+02
EMD0 -3.367618130000e+02
FORCES   8.5817000000e-03  8.6636000000e-03 -3.1880000000e-04 -1.2100000000e-05  5.7468000000e-03 -1.8827000000e-03 -5.8609000000e-03 -1.3617300000e-02  1.9340000000e-03  2.2919100000e-02 -1.3434000000e-03  4.8836000000e-03 -2.5035700000e-02  1.7112000000e-03 -5.4707000000e-03  5.2134000000e-03  1.5808000000e-03  4.8920000000e-04  4.1369000000e-03  8.9250000000e-04  7.1920000000e-04 -2.9294000000e-03  9.5260000000e-04 -4.9178000000e-03  6.5642000000e-03 -2.3564000000e-03  1.2222400000e-02 -3.3027000000e-03  5.3800000000e-04  2.3951000000e-03  1.1017000000e-03  1.1661600000e-02 -5.8232000000e-03  6.8400000000e-05 -6.7974000000e-03 -8.7510000000e-04 -9.5974000000e-03 -6.4158000000e-03 -9.9590000000e-04  7.7870000000e-03 -9.0981000000e-03  7.8374000000e-03 -1.7112000000e-03  1.8421100000e-02 -5.2793000000e-03 -7.9230000000e-03 -1.9498000000e-03  7.0613000000e-03 -1.2173200000e-02 -4.0166000000e-03 -1.2985700000e-02  1.6114600000e-02  3.8882000000e-03  1.7315000000e-03  4.1926000000e-03 -5.9040000000e-04  2.9074000000e-03 -9.2930000000e-03 -3.0768000000e-03 -6.8884000000e-03  1.2454000000e-03  8.0500000000e-05 -8.4560000000e-04  1.2893000000e-03  1.2158000000e-03  4.7049000000e-03  3.2167000000e-03  8.4390000000e-04 -5.7182000000e-03 -7.2589000000e-03 -7.5479000000e-03  6.5499000000e-03 -4.4024000000e-03 -9.6580000000e-04  1.8396000000e-03  1.8747000000e-03 -3.0861000000e-03 -4.5505000000e-03  3.4419000000e-03  1.7662000000e-03  7.9436000000e-03  8.8940000000e-04 -1.7690000000e-04 -1.0355000000e-03 -1.9516000000e-03  2.3673000000e-03  4.7517000000e-03  7.9693000000e-03 -6.0480000000e-04 -6.2736000000e-03 -1.0095500000e-02 -5.0775000000e-03  7.3504000000e-03  1.4574800000e-02  6.6411000000e-03 -9.1298000000e-03 -4.9974000000e-03 -3.8778000000e-03  9.3100000000e-04 -1.3114500000e-02  1.4556400000e-02 -2.3219000000e-03 -1.2847000000e-03  3.1312000000e-03  1.0937600000e-02  9.7626000000e-03 -1.4059800000e-02 -1.1876700000e-02

JOB 77
COORDS   4.9439000000e-01  1.4173600000e+00  2.7781000000e+00  5.8653000000e-01  5.1202000000e-01  3.0749300000e+00  1.2147300000e+00  1.8835100000e+00  3.2024200000e+00 -5.3315000000e-01 -2.3233400000e+00 -4.1910300000e+00 -5.8130000000e-02 -2.6537600000e+00 -3.4285300000e+00 -3.3224000000e-01 -2.9478300000e+00 -4.8880800000e+00 -2.8470000000e-02 -2.6804500000e+00  1.1635100000e+00 -7.8139000000e-01 -2.6095800000e+00  5.7672000000e-01  7.2180000000e-01 -2.4355800000e+00  6.2189000000e-01 -2.3158700000e+00 -9.3828000000e-01 -2.8607000000e+00 -1.7358100000e+00 -1.3787500000e+00 -3.4817900000e+00 -2.6440400000e+00 -1.7614000000e-01 -3.3378500000e+00  1.1417000000e+00  3.5403400000e+00 -8.4790000000e-01  5.2465000000e-01  3.4995500000e+00 -1.5785300000e+00  1.6059100000e+00  2.7038100000e+00 -8.7884000000e-01  5.7872000000e-01  2.5190000000e-01 -1.7511000000e-01  8.3206000000e-01  9.0038000000e-01  4.8179000000e-01 -3.5623000000e-01  1.1143000000e-01 -2.5560000000e-02 -1.8988100000e+00  1.4655200000e+00  1.4715200000e+00 -1.0125100000e+00  1.6798900000e+00  1.7626300000e+00 -2.4294000000e+00  1.5072200000e+00  2.2671100000e+00  1.3090300000e+00 -1.9061800000e+00 -1.9004900000e+00  1.1563200000e+00 -1.2718500000e+00 -1.2001100000e+00  1.4171300000e+00 -1.3728400000e+00 -2.6879500000e+00  3.2425200000e+00  2.4135600000e+00  3.6040000000e+00  3.2358900000e+00  2.7793500000e+00  2.7194700000e+00  3.9488800000e+00  2.8797200000e+00  4.0511900000e+00 -2.8687000000e-01  8.3388000000e-01 -2.5319000000e+00  2.0546000000e-01  8.2434000000e-01 -1.7110800000e+00 -9.5562000000e-01  1.5849000000e-01 -2.4184900000e+00  1.2528000000e-01 -1.2975400000e+00  3.4826100000e+00  5.0360000000e-02 -1.7500000000e+00  2.6424300000e+00  9.1748000000e-01 -1.6590400000e+00  3.8800700000e+00 -1.9264500000e+00 -8.0077000000e-01  5.7640000000e-02 -2.4518400000e+00 -9.1391000000e-01 -7.3444000000e-01 -2.0913700000e+00  1.0252000000e-01  3.2803000000e-01
ENERGY -9.171604246520e+02
EMD0 -2.979518500000e+02
FORCES  -7.8590000000e-03 -9.0212000000e-03  1.0070300000e-02  1.1579500000e-02  1.9448500000e-02 -4.4836000000e-03 -2.5479000000e-03 -8.0717000000e-03 -3.7540000000e-03 -7.9022000000e-03  8.1973000000e-03  4.5465000000e-03 -3.6348000000e-03 -1.4772000000e-03 -1.2926700000e-02  5.3838000000e-03 -2.4515000000e-03  6.1149000000e-03 -8.0165000000e-03  3.9861000000e-03  2.2414000000e-03  8.7382000000e-03 -6.6963000000e-03 -3.0566000000e-03 -3.5098000000e-03  1.7343000000e-03  6.1600000000e-04  1.0918100000e-02 -1.3692500000e-02 -7.7984000000e-03 -5.4302000000e-03  1.5294400000e-02  8.2805000000e-03  7.7930000000e-03 -1.8535000000e-03  4.6100000000e-05 -1.8620000000e-03  2.1505000000e-03 -1.6856000000e-03  4.6160000000e-03 -1.0087000000e-03  2.1698000000e-03 -2.5701000000e-03  1.2504000000e-03  6.7900000000e-04 -1.6463400000e-02 -5.9181000000e-03 -6.2189000000e-03 -6.1530000000e-03 -7.0990000000e-04 -9.3413000000e-03  1.1017000000e-02  1.6227400000e-02 -2.4939000000e-03  9.8424000000e-03 -3.6151000000e-03  5.6387000000e-03 -1.1831500000e-02 -2.3495000000e-03 -7.3730000000e-03  2.3645000000e-03  2.7415000000e-03  6.1490000000e-04  1.0322000000e-03  8.3475000000e-03  6.9133000000e-03  2.4009000000e-03 -7.4940000000e-03 -7.0234000000e-03 -2.2172000000e-03 -4.7889000000e-03  2.6551000000e-03  1.6256000000e-03 -1.7650000000e-03  5.1251000000e-03  2.6150000000e-04 -4.1700000000e-05  5.2416000000e-03  3.2120000000e-04  1.2806000000e-03 -6.9215000000e-03 -4.7841000000e-03 -1.1771100000e-02  1.3618400000e-02 -4.9908000000e-03 -2.7954000000e-03 -2.3482000000e-03  6.0402000000e-03  5.8147000000e-03  7.1010000000e-04 -1.1945500000e-02 -1.4671300000e-02 -1.1751900000e-02  1.0177300000e-02  9.4722000000e-03  1.6190600000e-02  3.7500000000e-04  2.2276000000e-03 -5.7814000000e-03 -1.8810000000e-04  5.4739000000e-03  1.1358100000e-02 -1.4581000000e-03  7.4076000000e-03  1.1282100000e-02  8.8776000000e-03 -1.0861900000e-02 -2.1154100000e-02

JOB 78
COORDS   1.7034200000e+00 -1.5003000000e-01  2.5938700000e+00  9.4395000000e-01 -4.6538000000e-01  3.0837600000e+00  2.1281300000e+00  4.7245000000e-01  3.1840900000e+00  7.2772000000e-01 -1.1641000000e+00 -4.1366400000e+00  9.4962000000e-01 -1.9124200000e+00 -4.6907200000e+00  1.2237600000e+00 -1.3068900000e+00 -3.3305400000e+00 -1.0835900000e+00 -2.9445600000e+00  2.0979700000e+00 -1.7910100000e+00 -3.3257700000e+00  1.5779100000e+00 -4.5946000000e-01 -2.6168000000e+00  1.4504600000e+00 -1.7995700000e+00 -5.4403000000e-01 -3.0777100000e+00 -9.9934000000e-01 -7.7145000000e-01 -3.5511500000e+00 -2.3660200000e+00 -1.4826000000e-01 -3.7400800000e+00 -2.4538900000e+00  3.7442600000e+00 -3.4781000000e+00 -1.9271200000e+00  3.1166000000e+00 -2.9833500000e+00 -2.0048500000e+00  3.8237500000e+00 -4.3196900000e+00  6.4410000000e-01 -1.4116400000e+00  3.8875000000e-01  1.2138600000e+00 -9.1080000000e-01  9.7250000000e-01 -1.9148000000e-01 -9.4519000000e-01  4.1060000000e-01 -3.1114000000e-01  1.9803900000e+00  9.7526000000e-01  5.1715000000e-01  1.6472400000e+00  1.3204800000e+00 -2.9853000000e-01  2.9150100000e+00  1.1815200000e+00  2.2110500000e+00 -1.7365800000e+00 -1.7215800000e+00  1.5760800000e+00 -1.7190700000e+00 -1.0055200000e+00  2.9374400000e+00 -2.2615500000e+00 -1.3854100000e+00  2.9346000000e+00  1.8927100000e+00  4.3162000000e+00  3.7850600000e+00  1.8442300000e+00  3.8796200000e+00  3.0896500000e+00  2.4440100000e+00  5.0831800000e+00 -3.9393000000e-01  1.9087100000e+00 -2.0727800000e+00 -7.3463000000e-01  1.0755400000e+00 -2.3983200000e+00 -3.4392000000e-01  1.7932200000e+00 -1.1238900000e+00 -5.0618000000e-01 -1.0374600000e+00  4.0411200000e+00 -9.0357000000e-01 -1.5660700000e+00  3.3491000000e+00 -3.1041000000e-01 -1.6631300000e+00  4.7385700000e+00 -1.8145500000e+00 -5.0000000000e-01  1.5010000000e-02 -1.9755500000e+00 -5.6651000000e-01 -9.2621000000e-01 -1.7918700000e+00  4.4104000000e-01  1.8870000000e-01
ENERGY -9.171813172826e+02
EMD0 -3.346218280000e+02
FORCES  -5.3003000000e-03 -6.3346000000e-03  1.2544900000e-02  1.3863900000e-02  6.3436000000e-03 -1.2256400000e-02 -3.1764000000e-03 -5.1645000000e-03 -3.8711000000e-03  8.8437000000e-03  1.4198000000e-03  5.8675000000e-03  2.3687000000e-03 -2.9300000000e-04  3.2416000000e-03 -1.1864200000e-02 -1.1714000000e-03 -1.3705500000e-02  4.1692000000e-03  3.7865000000e-03 -3.4031000000e-03  5.0215000000e-03 -8.9840000000e-04 -3.6690000000e-03 -1.3112200000e-02 -4.0279000000e-03  6.3914000000e-03  7.3528000000e-03 -9.6212000000e-03 -5.8783000000e-03 -1.8566800000e-02  1.0890500000e-02  5.5673000000e-03  6.6393000000e-03 -1.4578000000e-03 -2.6832000000e-03  3.0802000000e-03  9.1690000000e-04  5.1855000000e-03 -7.7117000000e-03  3.1210000000e-03 -1.0460500000e-02  3.4000000000e-04 -3.0529000000e-03  2.2175000000e-03 -7.1768000000e-03  1.0340600000e-02 -5.4434000000e-03 -1.2805700000e-02 -2.5328000000e-03 -9.9158000000e-03  1.9652900000e-02 -4.4430000000e-03  1.2494100000e-02 -8.9810000000e-04 -1.3714000000e-03  6.1668000000e-03 -4.1182000000e-03  1.0147200000e-02 -4.1541000000e-03  5.6361000000e-03 -3.1427000000e-03  1.0212000000e-03 -9.4765000000e-03  4.4562000000e-03  1.3083200000e-02  1.4829500000e-02 -5.9194000000e-03 -1.1924500000e-02 -3.3414000000e-03  2.6550000000e-04  5.9712000000e-03 -6.3845000000e-03 -8.2000000000e-05  3.7613000000e-03 -3.2373000000e-03  6.7000000000e-04  3.6128000000e-03  7.0140000000e-03  2.4570000000e-04 -4.2941000000e-03  5.8059000000e-03 -3.4810000000e-03  3.3293000000e-03  2.0786000000e-03  8.4006000000e-03  6.2503000000e-03 -3.6023000000e-03 -6.0621000000e-03 -1.0293200000e-02 -8.2305000000e-03 -5.5461000000e-03 -4.1134000000e-03  1.0872300000e-02  9.5504000000e-03  9.6762000000e-03 -1.1645000000e-03 -8.4640000000e-04 -2.6634000000e-03 -7.8050000000e-04 -5.2956000000e-03 -6.0370000000e-04  1.5289000000e-03  6.7831000000e-03  1.2225200000e-02  1.8502000000e-03 -6.5936000000e-03 -9.2748000000e-03

JOB 79
COORDS   1.0099900000e+00  2.7459800000e+00  5.1656000000e-01  1.5050800000e+00  3.1333600000e+00  1.2384000000e+00  1.5741800000e+00  2.0466200000e+00  1.8668000000e-01  1.7999300000e+00 -1.0621600000e+00 -2.1779700000e+00  1.4534100000e+00 -1.2686000000e+00 -1.3099000000e+00  1.8741800000e+00 -1.9106600000e+00 -2.6147400000e+00 -1.0431800000e+00 -2.1694900000e+00  2.9641200000e+00 -1.8708300000e+00 -1.9688700000e+00  2.5271200000e+00 -4.6818000000e-01 -2.4727900000e+00  2.2615300000e+00 -3.1423000000e-01  8.1801000000e-01 -1.9499600000e+00  5.1059000000e-01  4.6155000000e-01 -2.2798800000e+00 -5.4107000000e-01  1.5112400000e+00 -2.5698000000e+00 -8.8835000000e-01  3.4574500000e+00 -2.6699000000e+00 -1.3795500000e+00  3.4797800000e+00 -1.8486400000e+00 -1.4609000000e-01  4.0433600000e+00 -2.5215900000e+00  9.4509000000e-01 -2.5597900000e+00  4.6151000000e-01  1.5815300000e+00 -1.9249100000e+00  7.9031000000e-01  2.5873000000e-01 -2.0261600000e+00  6.1050000000e-02 -1.1268100000e+00  1.0010900000e+00  9.1964000000e-01 -9.3817000000e-01  3.7187000000e-01  2.2340000000e-01 -4.8163000000e-01  1.6971600000e+00  7.9530000000e-01  9.2579000000e-01 -4.1858300000e+00 -1.8459800000e+00  7.6748000000e-01 -5.1143500000e+00 -1.6756200000e+00  8.0243000000e-01 -3.7616000000e+00 -9.9684000000e-01  2.1964500000e+00 -3.2476000000e-01  1.7819500000e+00  1.3942700000e+00 -4.2460000000e-02  2.2213400000e+00  2.8255000000e+00 -4.5539000000e-01  2.4915100000e+00 -2.4550600000e+00  2.8547800000e+00 -5.9418000000e-01 -3.2819400000e+00  3.2190700000e+00 -2.7829000000e-01 -2.1506200000e+00  2.2955100000e+00  1.2050000000e-01 -1.4180000000e-02  7.4329000000e-01  3.3910600000e+00 -2.7003000000e-01 -2.8450000000e-02  3.8962200000e+00 -7.0013000000e-01  8.3556000000e-01  2.7298600000e+00 -1.0111700000e+00 -1.3157600000e+00 -8.5132000000e-01 -8.5386000000e-01 -5.1667000000e-01 -1.3542500000e+00 -1.8371400000e+00 -1.6566500000e+00 -1.1945400000e+00
ENERGY -9.171782809276e+02
EMD0 -3.238239800000e+02
FORCES  -4.7860000000e-04  1.9266000000e-03 -4.2540000000e-04  2.5136000000e-03 -2.7329000000e-03 -4.3162000000e-03 -2.3135000000e-03  3.7080000000e-03  5.1201000000e-03  6.9710000000e-04 -8.3543000000e-03 -4.2740000000e-04 -3.5752000000e-03  4.9069000000e-03 -2.0739000000e-03  1.1306000000e-03  4.4103000000e-03  3.6361000000e-03  3.1543000000e-03 -4.2089000000e-03 -1.0786000000e-03  3.6641000000e-03 -1.3340000000e-03 -1.4804000000e-03 -1.0422000000e-02  3.5159000000e-03  3.6925000000e-03 -9.8876000000e-03  7.0420000000e-04  2.8406000000e-03 -1.2675200000e-02  8.8673000000e-03  3.5622000000e-03  1.1482700000e-02 -1.8660400000e-02 -1.9950000000e-03 -1.0409600000e-02 -2.7742000000e-03  9.4585000000e-03  1.2902800000e-02  6.3801000000e-03 -9.9050000000e-03 -3.8285000000e-03  4.0080000000e-04  4.5046000000e-03 -3.5300000000e-05  4.8947000000e-03 -2.1272000000e-03 -1.2234100000e-02 -3.4337000000e-03 -1.1681600000e-02  1.8269300000e-02 -1.8743000000e-03  4.7822000000e-03  8.7081000000e-03 -2.2220000000e-03 -6.2258000000e-03  6.0157000000e-03  6.8169000000e-03 -5.3700000000e-04 -1.4960200000e-02 -1.1919400000e-02 -2.4030000000e-04  3.0082000000e-03  4.1880000000e-03  4.5303000000e-03 -1.7081000000e-03  2.9927000000e-03  5.1241000000e-03 -5.7447000000e-03 -8.2718000000e-03 -9.1687000000e-03 -5.7373000000e-03  5.5628000000e-03  7.5338000000e-03  1.4718300000e-02 -9.2777000000e-03 -8.8808000000e-03 -3.8686000000e-03  7.4430000000e-04  1.3280000000e-03  1.1810200000e-02 -1.0105800000e-02 -1.7122000000e-03  2.4274000000e-03 -4.3245000000e-03  5.3309000000e-03 -7.6343000000e-03  1.4177200000e-02 -2.9319000000e-03 -9.7779000000e-03  3.0721000000e-03 -6.0082000000e-03  2.7380000000e-04  5.4453000000e-03 -2.9601000000e-03  4.7281000000e-03 -1.6990000000e-04  1.1427200000e-02  1.2516500000e-02  1.6774400000e-02 -1.3278000000e-02 -2.4696000000e-03 -1.6844400000e-02  1.7886300000e-02 -2.6040000000e-04  7.0198000000e-03 -3.3036000000e-03

JOB 80
COORDS   1.2188000000e-01  2.8198600000e+00  1.6537800000e+00  4.9230000000e-02  1.9249800000e+00  1.9856600000e+00  5.8420000000e-02  3.3710000000e+00  2.4338100000e+00  1.2511700000e+00 -1.6356600000e+00 -3.0852900000e+00  1.6586900000e+00 -1.8552800000e+00 -3.9231000000e+00  1.7123200000e+00 -2.1772800000e+00 -2.4448200000e+00 -6.4376000000e-01 -2.3924000000e+00  2.6559700000e+00 -8.9805000000e-01 -2.6018700000e+00  1.7572500000e+00  3.1258000000e-01 -2.4324000000e+00  2.6503000000e+00 -7.3248000000e-01 -3.2711000000e-01 -1.9238600000e+00 -6.4000000000e-04 -8.9414000000e-01 -2.1669900000e+00 -4.2617000000e-01  5.5801000000e-01 -2.1212900000e+00  2.3410000000e-01  2.2056100000e+00 -2.1936400000e+00 -2.9998000000e-01  2.9135700000e+00 -1.8333700000e+00  5.3950000000e-01  2.5405700000e+00 -3.0367100000e+00  1.3937800000e+00 -1.1260500000e+00  9.0278000000e-01  1.9469100000e+00 -3.9819000000e-01  6.1905000000e-01  5.7527000000e-01 -7.1263000000e-01  1.1772800000e+00 -1.9100900000e+00  7.1503000000e-01  5.4405000000e-01 -2.1451200000e+00  1.6322500000e+00  4.0368000000e-01 -1.6179500000e+00  4.0809000000e-01 -3.1425000000e-01  1.6050600000e+00 -3.3276100000e+00 -8.0112000000e-01  2.1319000000e+00 -3.9762000000e+00 -3.3420000000e-01  1.4831400000e+00 -2.6182300000e+00 -1.7014000000e-01  1.8694100000e+00  1.3294500000e+00 -6.2080000000e-02  1.5519700000e+00  1.7437100000e+00 -8.6448000000e-01  1.3978900000e+00  1.7758500000e+00  6.4122000000e-01 -1.3033100000e+00  3.7965400000e+00 -5.7386000000e-01 -7.5742000000e-01  3.9441100000e+00  1.9845000000e-01 -1.8765400000e+00  4.5621400000e+00 -6.1242000000e-01 -5.0204000000e-01  4.6621000000e-01  2.8323300000e+00 -5.6025000000e-01 -4.1169000000e-01  3.2093300000e+00 -1.2558300000e+00  5.2580000000e-01  2.2454000000e+00 -1.4107800000e+00 -2.7276100000e+00  1.1616000000e-01 -2.2219100000e+00 -2.2194300000e+00  1.2386000000e-01 -9.1490000000e-01 -2.3769500000e+00 -6.2368000000e-01
ENERGY -9.171925620648e+02
EMD0 -3.582175130000e+02
FORCES  -6.6790000000e-04 -1.8492300000e-02  4.3409000000e-03  4.9329000000e-03  1.5487300000e-02 -8.9522000000e-03 -4.1126000000e-03 -7.8090000000e-04 -2.4563000000e-03 -1.0982200000e-02  2.1463000000e-03  5.3858000000e-03  5.4209000000e-03 -3.8354000000e-03  4.4026000000e-03 -1.2348000000e-03  1.0201800000e-02 -1.2690600000e-02 -7.1826000000e-03 -7.0184000000e-03 -1.9816400000e-02  5.6572000000e-03  3.4621000000e-03  1.4403800000e-02 -4.4393000000e-03  2.9661000000e-03 -1.3963000000e-03  1.7339500000e-02  9.9510000000e-04 -1.3687000000e-02 -3.0929000000e-03  4.4574000000e-03  8.8971000000e-03 -3.1823000000e-03 -8.9028000000e-03  2.0459000000e-03 -9.1694000000e-03 -3.9399000000e-03  1.0412900000e-02  1.2461400000e-02 -6.3060000000e-03 -1.3776200000e-02 -3.7958000000e-03  4.7506000000e-03  4.1407000000e-03 -4.6120000000e-04  1.7454000000e-02 -4.6718000000e-03 -2.8497000000e-03 -8.3968000000e-03  9.1944000000e-03  5.4664000000e-03 -2.0139000000e-03 -1.2547000000e-03  7.9337000000e-03 -7.3600000000e-03 -4.5985000000e-03  1.1355000000e-03 -5.6522000000e-03 -7.1940000000e-04 -9.6251000000e-03  1.4065000000e-02  9.5806000000e-03 -5.0888000000e-03  5.4668000000e-03  7.8066000000e-03 -1.1410000000e-04  3.7896000000e-03  3.7011000000e-03  4.0110000000e-03 -1.6981800000e-02 -1.1457100000e-02 -8.2342000000e-03  3.3480000000e-04 -6.3430000000e-03  4.3524000000e-03  3.3397000000e-03  9.6903000000e-03 -2.2814000000e-03 -7.8796000000e-03 -2.4637000000e-03  4.9237000000e-03 -7.1575000000e-03  2.9704000000e-03 -8.6768000000e-03  1.3179600000e-02 -9.1740000000e-03  4.3078000000e-03 -8.1100000000e-05  6.8637000000e-03 -4.0712000000e-03 -9.8788000000e-03 -3.6422000000e-03 -2.2811000000e-03  1.0392400000e-02 -2.4147000000e-03  8.9283000000e-03  4.0720000000e-03  1.1233900000e-02  5.4988000000e-03 -1.2979000000e-03  1.5327000000e-03  4.3382000000e-03 -1.1669000000e-03  5.0200000000e-04 -5.1639000000e-03  5.8160000000e-04  2.4088000000e-03

JOB 81
COORDS   2.0851000000e-01  1.7416100000e+00  2.3463900000e+00  3.5151000000e-01  8.2661000000e-01  2.1044100000e+00  9.1070000000e-02  1.7231400000e+00  3.2961700000e+00 -3.5739000000e-01 -3.7543800000e+00  2.5252000000e-01 -1.1377000000e+00 -3.7905000000e+00 -3.0069000000e-01 -6.4648000000e-01 -4.0977700000e+00  1.0979500000e+00 -1.8717700000e+00 -1.8337600000e+00  2.7192200000e+00 -2.2808200000e+00 -1.9009800000e+00  1.8564400000e+00 -1.8139600000e+00 -2.7377700000e+00  3.0285000000e+00 -6.0030000000e-01 -1.5940200000e+00 -3.0519700000e+00 -7.0350000000e-01 -2.3597700000e+00 -2.4870000000e+00  2.5866000000e-01 -1.2399000000e+00 -2.8217000000e+00  7.6040000000e-01  3.4025900000e+00 -1.0489500000e+00 -1.0535000000e-01  3.0485000000e+00 -8.4565000000e-01  6.7432000000e-01  3.7526800000e+00 -1.9356600000e+00  3.5354300000e+00 -1.6486000000e-01 -7.2450000000e-02  3.4609300000e+00  7.6267000000e-01  1.5199000000e-01  3.0965800000e+00 -6.2145000000e-01  6.4530000000e-01 -1.2980000000e+00  3.0950000000e-02 -7.9981000000e-01 -1.4590000000e+00  9.7088000000e-01 -8.8249000000e-01 -1.0780400000e+00 -2.5379000000e-01 -1.6868200000e+00  1.4253200000e+00 -2.3655000000e-01 -1.9862500000e+00  1.8627000000e+00  4.3958000000e-01 -2.5037300000e+00  1.9413400000e+00 -2.9468000000e-01 -1.1821500000e+00  2.6272500000e+00  2.5136300000e+00  8.0844000000e-01  2.2500700000e+00  2.8996100000e+00  1.7880000000e-02  1.8860600000e+00  2.0995100000e+00  1.2504600000e+00 -1.8435800000e+00  2.8192300000e+00 -6.0349000000e-01 -1.4993700000e+00  2.9141000000e+00  2.8462000000e-01 -2.2925000000e+00  3.6467200000e+00 -7.7655000000e-01  4.6317000000e-01 -8.7366000000e-01  1.3791400000e+00 -1.7430000000e-01 -1.2546400000e+00  1.9830600000e+00 -4.1100000000e-03 -8.0911000000e-01  5.4625000000e-01 -2.8493700000e+00 -2.0751000000e+00  5.2800000000e-02 -2.2003100000e+00 -1.4498500000e+00 -2.6973000000e-01 -3.6336200000e+00 -1.8959700000e+00 -4.6595000000e-01
ENERGY -9.171673784260e+02
EMD0 -3.124443800000e+02
FORCES   1.6252000000e-03 -9.8440000000e-03 -2.0568000000e-03  2.1860000000e-04  1.8902800000e-02  1.1572300000e-02 -2.4450000000e-04 -6.2352000000e-03 -1.8820000000e-03  3.6200000000e-05  1.1096000000e-03  1.9167000000e-03  4.8007000000e-03 -2.0097000000e-03  1.2464000000e-03 -2.7883000000e-03  1.9300000000e-04 -2.3943000000e-03 -1.0725500000e-02  3.3912000000e-03 -4.3251000000e-03  1.2897100000e-02 -2.2675000000e-03  1.1655300000e-02  4.2410000000e-04  4.7000000000e-06 -6.0306000000e-03  1.5430200000e-02  2.6516000000e-03 -2.5156000000e-03  8.9780000000e-04  4.9027000000e-03  2.4770000000e-03 -1.6085000000e-02 -5.7342000000e-03 -1.6827000000e-03 -8.5222000000e-03 -4.3459000000e-03  6.6317000000e-03  1.9543000000e-03  4.0291000000e-03  2.6795000000e-03 -4.8047000000e-03 -1.8917000000e-03  1.5882000000e-03  8.4568000000e-03  7.0785000000e-03  4.9176000000e-03 -1.7023000000e-03 -1.6480700000e-02 -5.1138000000e-03  8.5000000000e-06  5.4914000000e-03 -4.7058000000e-03  1.9036000000e-03  5.0669000000e-03 -3.2595000000e-03  6.5206000000e-03 -6.3052000000e-03 -6.3173000000e-03 -6.3688000000e-03  8.8493000000e-03  1.1938800000e-02  5.0655000000e-03 -6.6465000000e-03  1.1197300000e-02 -8.2240000000e-04  8.1300000000e-05  1.4751000000e-03 -1.1911700000e-02  4.9734000000e-03 -9.2785000000e-03 -1.2249000000e-02  1.1812700000e-02  3.5598000000e-03  5.0801000000e-03 -6.5837000000e-03  4.8942000000e-03  6.5751000000e-03 -4.1787000000e-03 -1.0607000000e-02 -1.8519000000e-03 -3.0012000000e-03 -4.7913000000e-03  3.2563000000e-03  5.4114000000e-03 -1.4400700000e-02  5.0581000000e-03  2.3070000000e-04  5.9771000000e-03 -1.0402700000e-02 -1.0814300000e-02 -3.6260000000e-03  6.9188000000e-03  8.4423000000e-03 -8.0340000000e-03  1.8304000000e-03 -4.0382000000e-03  9.4982000000e-03  2.9286000000e-03  1.2060100000e-02 -1.4225000000e-03 -7.6645000000e-03 -1.5830200000e-02  2.4885000000e-03  4.2572000000e-03  1.5241000000e-03 -3.2702000000e-03

JOB 82
COORDS   3.7460000000e-02  3.0953300000e+00  1.9071400000e+00 -3.3803000000e-01  2.2579100000e+00  2.1791100000e+00 -4.1903000000e-01  3.7471100000e+00  2.4391400000e+00 -1.1174500000e+00 -3.2979300000e+00 -1.8783500000e+00 -1.5298300000e+00 -3.2458800000e+00 -1.0161000000e+00 -1.7346700000e+00 -3.8009700000e+00 -2.4095900000e+00  2.1042000000e-01 -2.0916500000e+00  1.9110600000e+00 -3.3313000000e-01 -2.4410300000e+00  1.2048600000e+00  8.9994000000e-01 -1.6015700000e+00  1.4631700000e+00 -1.1767000000e-01 -7.4024000000e-01 -2.3851300000e+00  8.1711000000e-01 -9.3836000000e-01 -2.4414900000e+00 -5.2713000000e-01 -1.5761800000e+00 -2.1619900000e+00  7.8583000000e-01  1.8595800000e+00 -1.4052000000e+00  2.2219000000e-01  1.1871800000e+00 -1.0225600000e+00  8.2727000000e-01  1.6372000000e+00 -2.3352900000e+00  2.6343600000e+00 -7.0991000000e-01  1.2907000000e+00  2.5908800000e+00  2.4548000000e-01  1.3303600000e+00  3.0415400000e+00 -9.6617000000e-01  2.1182100000e+00 -2.2882700000e+00  2.1370000000e-01 -7.6822000000e-01 -2.4355200000e+00  1.1590800000e+00 -7.9666000000e-01 -1.6210300000e+00  5.4550000000e-02 -1.4358100000e+00  2.2984300000e+00 -1.5109800000e+00 -1.4626300000e+00  1.5076600000e+00 -2.0216300000e+00 -1.2890100000e+00  2.6416100000e+00 -1.2975500000e+00 -5.9493000000e-01  2.5568000000e+00  2.0182100000e+00  8.8509000000e-01  2.1150100000e+00  2.0629200000e+00  3.7130000000e-02  2.1290100000e+00  2.6913400000e+00  1.4143700000e+00 -1.8726700000e+00  3.0238100000e+00 -5.8324000000e-01 -1.0732500000e+00  3.0010900000e+00 -1.1092100000e+00 -1.5645500000e+00  3.1235100000e+00  3.1751000000e-01 -9.6578000000e-01  4.5614000000e-01  2.0434500000e+00 -7.9697000000e-01 -4.8572000000e-01  2.0684600000e+00 -1.8486300000e+00  5.3220000000e-01  1.6815000000e+00 -2.0179900000e+00 -2.2881800000e+00  4.0038000000e-01 -2.3046300000e+00 -1.5251900000e+00 -1.0153000000e-01 -2.5296500000e+00 -2.2499100000e+00  1.2084400000e+00
ENERGY -9.171903691414e+02
EMD0 -3.516013250000e+02
FORCES   6.9199000000e-03 -1.0484100000e-02  1.7836000000e-03 -4.0469000000e-03  2.0889300000e-02  2.7970000000e-04 -3.9528000000e-03 -6.6761000000e-03 -1.5177000000e-03  3.2630000000e-04  5.7400000000e-04  5.5055000000e-03  1.3697000000e-03  3.9400000000e-04 -1.4032500000e-02 -3.8857000000e-03 -3.6800000000e-05  7.4246000000e-03  4.5369000000e-03 -2.0722000000e-03 -1.3124000000e-03  6.8193000000e-03  4.9024000000e-03  2.0559000000e-03 -1.6774600000e-02 -6.4028000000e-03 -2.6230000000e-03  9.4043000000e-03 -1.0465600000e-02 -9.8570000000e-04 -9.8359000000e-03 -1.0777600000e-02  2.2086000000e-03  9.2593000000e-03  1.5086900000e-02  7.1834000000e-03  4.6761000000e-03 -7.6464000000e-03 -1.8825000000e-03 -1.0276000000e-03  7.9877000000e-03 -3.5517000000e-03 -3.8177000000e-03  1.4171000000e-03  2.3929000000e-03  2.2175000000e-03  1.5490000000e-02 -3.1220000000e-03  2.2305000000e-03 -2.3645800000e-02  7.7683000000e-03 -2.3277000000e-03  6.5272000000e-03  5.2790000000e-04  3.1459000000e-03  1.1623600000e-02 -5.1310000000e-04  4.9866000000e-03 -1.4781600000e-02 -5.2155000000e-03 -8.5957000000e-03  3.1470000000e-03  6.8736000000e-03  3.7321000000e-03  5.6441000000e-03  6.5593000000e-03 -3.5116000000e-03  9.9932000000e-03 -4.8608000000e-03 -6.9936000000e-03 -7.0800000000e-03 -9.9567000000e-03 -5.8046000000e-03  3.4946000000e-03 -5.3649000000e-03  3.9433000000e-03  8.1460000000e-04  1.1632800000e-02  5.7903000000e-03 -6.5410000000e-04 -5.2220000000e-03  8.9986000000e-03  5.7658000000e-03  2.0806000000e-03 -8.3225000000e-03 -2.5897000000e-03  3.2629000000e-03 -5.9190000000e-03 -1.8939000000e-03 -5.0694000000e-03  1.2380500000e-02 -1.5808100000e-02 -2.0460000000e-03 -1.5684900000e-02  1.3412900000e-02 -4.8472000000e-03  1.0592000000e-03 -2.4781000000e-03  5.9054000000e-03  6.8255000000e-03  8.1224000000e-03 -4.4867000000e-03  8.4070000000e-04 -1.8237100000e-02  6.0694000000e-03  1.0380000000e-03  6.4431000000e-03 -2.9047000000e-03

JOB 83
COORDS   3.4213000000e-01  2.9132400000e+00  2.2456400000e+00 -2.4337000000e-01  2.1560100000e+00  2.2505900000e+00  5.7899000000e-01  3.0394700000e+00  3.1644300000e+00 -7.8714000000e-01 -3.0676200000e+00 -1.6855100000e+00 -1.7006200000e+00 -3.3478800000e+00 -1.6285400000e+00 -3.1093000000e-01 -3.8542000000e+00 -1.9514800000e+00 -1.6584000000e-01 -1.7261300000e+00  2.1133500000e+00 -8.0361000000e-01 -2.1105400000e+00  1.5119200000e+00  5.8411000000e-01 -1.5073700000e+00  1.5602100000e+00  3.0975000000e-01 -6.4315000000e-01 -1.8222700000e+00  9.7019000000e-01 -8.1743000000e-01 -1.1516900000e+00 -1.2458000000e-01 -1.4855800000e+00 -1.9560200000e+00  8.5098000000e-01  1.9283700000e+00 -1.9715400000e+00  5.3369000000e-01  1.0371800000e+00 -2.1176500000e+00  1.7502600000e+00  1.9197000000e+00 -2.2993600000e+00  3.9441800000e+00  4.3850000000e-02 -2.8078000000e-01  3.3243800000e+00  7.0127000000e-01  3.5250000000e-02  4.6932600000e+00  1.1631000000e-01  3.1071000000e-01 -2.1779000000e+00 -1.3139000000e-01 -3.7012000000e-01 -2.1770200000e+00  8.2332000000e-01 -4.3917000000e-01 -1.3980600000e+00 -4.0754000000e-01 -8.5161000000e-01  1.8438900000e+00 -1.7152300000e+00  2.3340000000e-01  2.1406900000e+00 -2.6249400000e+00  2.5708000000e-01  2.6426300000e+00 -1.2056700000e+00  9.7010000000e-02  2.1350400000e+00  1.9949400000e+00  5.8445000000e-01  1.5935600000e+00  2.1606800000e+00 -1.8727000000e-01  1.7293300000e+00  2.5146300000e+00  1.2783900000e+00 -1.7335100000e+00  2.5178900000e+00 -2.4557000000e-01 -1.0663100000e+00  2.9294400000e+00 -7.9484000000e-01 -1.6532900000e+00  2.9586400000e+00  6.0033000000e-01 -1.2776400000e+00  7.9455000000e-01  2.0821300000e+00 -1.0347800000e+00 -1.1770000000e-01  2.2404100000e+00 -1.4367800000e+00  8.4042000000e-01  1.1393600000e+00 -3.3469500000e+00 -2.8291800000e+00 -8.6424000000e-01 -3.3073000000e+00 -1.9288000000e+00 -5.4178000000e-01 -4.2706400000e+00 -3.0695500000e+00 -7.9186000000e-01
ENERGY -9.172004050675e+02
EMD0 -3.701868340000e+02
FORCES  -8.4306000000e-03 -2.1427400000e-02 -7.9466000000e-03  1.1166300000e-02  2.3709800000e-02  9.5030000000e-04 -2.7180000000e-04 -5.1835000000e-03 -1.4990000000e-03 -8.8355000000e-03  1.1028300000e-02  4.2236000000e-03  1.6771400000e-02 -8.3695000000e-03 -6.4250000000e-03 -6.6725000000e-03 -1.6996000000e-03  1.0640000000e-03  1.2570600000e-02 -8.9120000000e-04 -4.0818000000e-03  2.9250000000e-03  5.2803000000e-03  1.0962000000e-03 -1.2189100000e-02 -1.5321000000e-03  5.0680000000e-03  1.9833000000e-03 -1.4006400000e-02  2.1695000000e-03 -3.3287000000e-03  5.9166000000e-03 -7.6990000000e-03  4.9071000000e-03  1.3929800000e-02  6.4613000000e-03 -8.2992000000e-03 -1.6148900000e-02 -4.1929000000e-03  1.0224100000e-02  1.4387600000e-02 -4.1040000000e-04 -1.9242000000e-03 -4.8346000000e-03  4.9371000000e-03 -2.1537000000e-03  1.3297700000e-02 -1.1468000000e-03  1.1176500000e-02 -2.0092900000e-02 -5.7440000000e-03 -3.5841000000e-03  1.8459000000e-03  1.7741000000e-03  6.2353000000e-03  1.7863900000e-02 -1.2920000000e-03  7.3473000000e-03 -1.2630400000e-02  6.9753000000e-03 -8.7433000000e-03  1.1145000000e-03  5.3191000000e-03  4.6040000000e-03  7.9755000000e-03 -1.1492000000e-03  4.5936000000e-03  3.8621000000e-03  7.7460000000e-04 -1.7506700000e-02 -1.3489100000e-02  3.8500000000e-04 -1.7689700000e-02  8.1747000000e-03  1.2347500000e-02  7.0332000000e-03  2.3650000000e-03  9.9061000000e-03  7.2885000000e-03 -1.3800000000e-05 -1.2463900000e-02 -1.2030000000e-03 -6.9944000000e-03 -2.0603000000e-03 -4.9620000000e-03  3.8973000000e-03  8.1234000000e-03  3.1114000000e-03 -1.9013000000e-03 -5.4277000000e-03  1.8393000000e-03 -2.0094000000e-02 -4.7748000000e-03 -8.9942000000e-03  1.1478300000e-02 -6.4678000000e-03  3.5660000000e-03  6.6125000000e-03  4.3210000000e-04  7.1485000000e-03  4.6550000000e-03 -9.1140000000e-04 -9.8927000000e-03 -1.4305800000e-02 -9.9090000000e-04  1.8960000000e-04  6.2201000000e-03  2.6762000000e-03

JOB 84
COORDS  -1.3495000000e-01  2.6127400000e+00  1.4170100000e+00 -3.0232000000e-01  1.7937900000e+00  1.8834200000e+00 -3.0717000000e-01  3.2968800000e+00  2.0639400000e+00 -2.2545400000e+00 -2.8365700000e+00 -3.0692300000e+00 -2.9724200000e+00 -3.4679900000e+00 -3.1160500000e+00 -2.6874700000e+00 -1.9857000000e+00 -2.9998600000e+00  1.6729200000e+00 -9.9413000000e-01  2.2086500000e+00  2.3912900000e+00 -8.7520000000e-01  2.8299600000e+00  2.0524600000e+00 -7.7395000000e-01  1.3579500000e+00 -6.6616000000e-01 -2.3012100000e+00 -9.1256000000e-01 -7.2421000000e-01 -3.0129900000e+00 -2.7519000000e-01 -1.1330300000e+00 -2.6287800000e+00 -1.6813000000e+00  1.8279000000e-01  2.7778000000e-01 -2.2990800000e+00  2.4075000000e-01 -6.7160000000e-01 -2.1915300000e+00  6.5749000000e-01  4.5677000000e-01 -3.1107700000e+00  4.5572700000e+00  2.6743000000e-01  2.9196500000e+00  4.3777200000e+00 -1.2885000000e-01  2.0670300000e+00  4.8702600000e+00  1.1482700000e+00  2.7137600000e+00 -2.5198500000e+00 -3.3043000000e-01  3.2124000000e-01 -2.2058400000e+00  4.7473000000e-01 -9.0270000000e-02 -1.8170200000e+00 -9.6389000000e-01  1.7634000000e-01  3.7653700000e+00 -2.4882000000e-01  4.2835000000e-01  4.5336000000e+00 -2.7446000000e-01 -1.4208000000e-01  3.1679200000e+00  3.6345000000e-01 -1.0800000000e-03  1.7570600000e+00  1.6114400000e+00 -2.9646000000e-01  1.1277000000e+00  1.7137700000e+00 -1.0103700000e+00  1.3354400000e+00  2.0258100000e+00  4.5638000000e-01 -1.7031700000e+00  2.1140100000e+00 -1.0527500000e+00 -1.0545900000e+00  1.5878100000e+00 -1.5203900000e+00 -1.2386100000e+00  2.4370500000e+00 -2.8070000000e-01 -9.6414000000e-01  3.0839000000e-01  2.5713100000e+00 -3.1932000000e-01 -3.9877000000e-01  2.5524200000e+00 -1.5889900000e+00  8.1860000000e-02  1.8824800000e+00 -3.7670800000e+00 -4.6878000000e-01 -2.1265900000e+00 -3.7675000000e+00 -8.1989000000e-01 -1.2361100000e+00 -3.4404600000e+00  4.2594000000e-01 -2.0316200000e+00
ENERGY -9.171895404277e+02
EMD0 -3.515732010000e+02
FORCES  -2.2951000000e-03 -1.5114900000e-02  8.9367000000e-03  6.8677000000e-03  2.3732100000e-02 -1.2111300000e-02 -1.4191000000e-03 -5.0500000000e-03  2.6402000000e-03 -1.8519000000e-03  5.9799000000e-03 -1.1649000000e-03 -1.6099000000e-03  4.5447000000e-03  9.0860000000e-04  6.5652000000e-03 -1.6968700000e-02 -8.2360000000e-04  8.3946000000e-03  1.2223000000e-03 -1.3993000000e-03 -1.2538000000e-03 -2.2185000000e-03 -5.4949000000e-03 -3.6720000000e-04  2.9546000000e-03  3.3556000000e-03 -3.5767000000e-03 -5.4939000000e-03 -1.3474700000e-02 -7.3650000000e-03  8.5310000000e-04 -3.7709000000e-03  1.1184900000e-02  3.3093000000e-03  1.5451500000e-02 -1.9798000000e-03 -5.6572000000e-03  8.0913000000e-03  3.9159000000e-03  6.7062000000e-03 -1.2986800000e-02  1.0444000000e-03 -4.1217000000e-03  3.6588000000e-03 -3.7868000000e-03 -9.5930000000e-04 -1.1608500000e-02  3.6297000000e-03  1.3080000000e-03  7.7564000000e-03  8.3430000000e-04 -2.2421000000e-03 -3.3282000000e-03 -1.1518000000e-03  4.5303000000e-03 -1.2583400000e-02  2.9251000000e-03 -1.5510000000e-02  7.5003000000e-03 -4.6268000000e-03  1.1890600000e-02  1.1120500000e-02 -1.0233900000e-02  5.1730000000e-03  9.5422000000e-03 -3.0182000000e-03  6.2209000000e-03  3.2240000000e-04  1.6227700000e-02 -1.5198600000e-02  1.8761000000e-03 -9.7269000000e-03  2.7963000000e-03  3.7288000000e-03 -2.2428000000e-03  8.8871000000e-03  4.1275000000e-03  2.7374000000e-03 -7.0502000000e-03 -1.0594700000e-02  3.2374000000e-03  1.0171000000e-02 -1.6037000000e-03 -3.9529000000e-03  6.3224000000e-03  1.2028300000e-02 -1.8383000000e-03 -1.0500800000e-02 -1.2524900000e-02 -4.7866000000e-03 -5.2981000000e-03 -3.4800000000e-04 -1.5963700000e-02  1.8621000000e-03 -4.7105000000e-03  1.7268000000e-02  8.1810000000e-04  2.5908000000e-03  4.7970000000e-04  7.5226000000e-03  1.1375100000e-02 -1.2725000000e-03 -1.3865000000e-03 -8.5236000000e-03 -9.9230000000e-04 -4.0340000000e-03  2.0406000000e-03

JOB 85
COORDS  -6.8870000000e-01  2.5171900000e+00  9.6609000000e-01 -6.5558000000e-01  1.8618400000e+00  1.6629700000e+00 -1.5076800000e+00  2.9885900000e+00  1.1186900000e+00 -3.7402200000e+00 -2.5959600000e+00 -2.3602300000e+00 -3.6418700000e+00 -1.8746500000e+00 -1.7387200000e+00 -4.6718900000e+00 -2.8134600000e+00 -2.3299800000e+00  2.5970600000e+00  2.6928000000e-01  2.7589400000e+00  2.8708700000e+00 -5.2957000000e-01  3.2096000000e+00  3.4146000000e+00  7.2834000000e-01  2.5662300000e+00 -1.1843800000e+00 -2.7429200000e+00 -3.6885700000e+00 -9.7319000000e-01 -3.6652700000e+00 -3.8331400000e+00 -2.0995000000e+00 -2.7473900000e+00 -3.4079200000e+00 -1.0879000000e+00  1.1000000000e-04 -3.1448600000e+00 -9.8421000000e-01 -8.7099000000e-01 -3.5278100000e+00 -1.2392900000e+00  5.7545000000e-01 -3.8947200000e+00  2.6088300000e+00 -1.9440500000e+00  4.7083000000e+00  2.4045900000e+00 -1.1082100000e+00  5.1277000000e+00  3.0178800000e+00 -2.4654800000e+00  5.3989600000e+00  1.2366400000e+00 -1.4950000000e-01 -1.4107400000e+00  6.9432000000e-01  4.3190000000e-02 -2.1755800000e+00  1.6411500000e+00 -9.9385000000e-01 -1.6099400000e+00  4.1144700000e+00  2.1564600000e+00  1.7148400000e+00  3.5961600000e+00  2.2239000000e+00  9.1294000000e-01  3.9138700000e+00  2.9578300000e+00  2.1983600000e+00  2.3230300000e+00  2.3050900000e+00 -4.3658000000e-01  2.0021600000e+00  1.4645200000e+00 -7.6325000000e-01  1.6662700000e+00  2.5805200000e+00  2.0298000000e-01 -2.3137600000e+00  1.2859300000e+00 -6.6348000000e-01 -2.0185000000e+00  1.2756400000e+00 -1.5739400000e+00 -1.5514900000e+00  1.5843100000e+00 -1.6734000000e-01 -2.6190000000e-02 -5.7190000000e-02  1.5617200000e+00  8.1692000000e-01 -4.6940000000e-02  2.0148100000e+00  1.9391000000e-01 -2.4571000000e-01  6.4944000000e-01 -3.8484500000e+00 -1.0119900000e+00 -2.2080000000e-02 -3.2237400000e+00 -1.2373700000e+00  6.6724000000e-01 -3.5001400000e+00 -2.0839000000e-01 -4.0825000000e-01
ENERGY -9.171723627002e+02
EMD0 -3.162945150000e+02
FORCES   2.3462000000e-03 -1.0157800000e-02 -3.1446000000e-03 -9.7721000000e-03  1.6345100000e-02 -2.3364000000e-03  3.1170000000e-04 -1.0484100000e-02  8.4950000000e-04 -1.0263000000e-03  3.8003000000e-03  1.3037100000e-02 -2.5532000000e-03 -2.9381000000e-03 -1.5101900000e-02 -2.5590000000e-04  3.3874000000e-03  1.9061000000e-03  7.3270000000e-03  1.4122300000e-02 -1.0362700000e-02  3.7361000000e-03  1.1187900000e-02 -3.1860000000e-04 -3.7310000000e-03 -1.7616100000e-02  1.1937200000e-02 -3.8776000000e-03  2.5670000000e-04  4.4418000000e-03 -6.3775000000e-03 -1.2149000000e-03  1.5303000000e-03  1.5864700000e-02 -2.0820000000e-03 -8.8782000000e-03 -5.3004000000e-03 -1.3971600000e-02  2.1396000000e-03  4.8800000000e-04  1.8040000000e-02 -1.5327000000e-03  4.5150000000e-04 -4.1100000000e-03  1.2653000000e-03 -1.8935000000e-03 -4.4732000000e-03 -2.6646000000e-03  5.3855000000e-03 -4.0853000000e-03 -1.1855000000e-03 -2.5706000000e-03  5.7457000000e-03  2.2917000000e-03 -5.0662000000e-03  1.2230000000e-03 -3.8159000000e-03  1.4818400000e-02 -4.3977000000e-03  4.0845000000e-03 -4.1379000000e-03  1.6217000000e-03 -4.5568000000e-03 -7.8917000000e-03 -5.3207000000e-03 -1.2632300000e-02  5.2318000000e-03  5.5571000000e-03  1.9821600000e-02 -3.7164000000e-03 -1.1121000000e-03 -3.8142000000e-03 -4.3151000000e-03 -7.9142000000e-03 -9.5655000000e-03 -1.3990000000e-04  1.2958800000e-02  5.8447000000e-03  9.6020000000e-03 -4.5751000000e-03  3.4490000000e-04  1.3906400000e-02  5.4520000000e-03  1.4487500000e-02  9.5210000000e-04  6.6302000000e-03  5.0458000000e-03 -9.4224000000e-03 -1.7015000000e-03 -9.3331000000e-03  6.8383000000e-03 -1.4103000000e-03 -1.1632000000e-03 -1.2177300000e-02 -2.2412000000e-03 -7.6549000000e-03  1.0758000000e-03  7.6900000000e-05  8.5602000000e-03  3.4809000000e-03  8.0668000000e-03  4.8817000000e-03 -9.2980000000e-04  2.1834000000e-03 -1.3469000000e-03 -6.6613000000e-03 -1.6849400000e-02 -3.0617000000e-03

JOB 86
COORDS  -5.0117000000e-01  2.3273300000e+00  2.1338500000e+00 -9.6438000000e-01  1.9115500000e+00  1.4066700000e+00  1.0320000000e-02  1.6207300000e+00  2.5279500000e+00 -3.3948600000e+00 -2.3412700000e+00 -2.7410200000e+00 -2.9421100000e+00 -2.2593300000e+00 -1.9016500000e+00 -4.3080100000e+00 -2.1340800000e+00 -2.5423800000e+00  1.7446200000e+00  5.2539000000e-01  2.6036900000e+00  1.7277400000e+00  2.8766000000e-01  3.5307500000e+00  2.6605700000e+00  4.2143000000e-01  2.3459100000e+00 -1.3227500000e+00 -1.0001300000e+00 -4.1136900000e+00 -1.5255700000e+00 -6.5331000000e-01 -4.9824900000e+00 -1.9460700000e+00 -1.7158700000e+00 -3.9895000000e+00 -1.4922900000e+00  1.0232800000e+00 -2.0485200000e+00 -1.5913900000e+00  2.2243000000e-01 -2.5633400000e+00 -2.3054400000e+00  1.5060300000e+00 -2.1967400000e+00  1.5652900000e+00  1.1262900000e+00  5.3670300000e+00  1.8811700000e+00  1.8808900000e+00  4.8700100000e+00  9.4016000000e-01  1.4947200000e+00  5.9912900000e+00  9.5275000000e-01  8.7518000000e-01 -3.1590000000e+00  5.1910000000e-02  1.0719100000e+00 -2.9020700000e+00  8.9669000000e-01  2.7910000000e-02 -3.6008500000e+00  4.0092300000e+00  3.9157000000e-01  1.1242200000e+00  3.3788900000e+00  7.3018000000e-01  4.8842000000e-01  4.4620800000e+00 -3.1325000000e-01  6.6120000000e-01  1.9048900000e+00  9.8281000000e-01 -6.5825000000e-01  1.8204000000e+00  8.8914000000e-01 -1.6071000000e+00  1.3129000000e+00  1.7008900000e+00 -4.3433000000e-01 -1.4158500000e+00  2.0730000000e-02  5.8809000000e-01 -1.5107300000e+00  2.5178000000e-01 -3.3594000000e-01 -6.0309000000e-01 -4.8338000000e-01  6.2719000000e-01  8.1996000000e-01 -1.4035300000e+00  1.0780700000e+00  9.0904000000e-01 -8.8268000000e-01  1.8762000000e+00  1.1934700000e+00 -8.5338000000e-01  3.8955000000e-01 -2.7628900000e+00 -2.5232500000e+00 -8.3960000000e-02 -2.7886200000e+00 -3.1082100000e+00  6.7327000000e-01 -2.4437200000e+00 -1.6914800000e+00  2.6607000000e-01
ENERGY -9.171734353089e+02
EMD0 -3.274858900000e+02
FORCES   8.6130000000e-04 -8.5042000000e-03 -3.9730000000e-04  5.2167000000e-03  6.8897000000e-03  3.5490000000e-04 -7.2235000000e-03  1.1233000000e-03  1.3365000000e-03  5.4700000000e-05 -8.3269000000e-03  1.2220700000e-02 -2.7007000000e-03  1.1865100000e-02 -1.2956900000e-02  1.8170000000e-03  2.1159000000e-03  2.7684000000e-03  9.4178000000e-03  3.6500000000e-05 -1.4855100000e-02  5.3741000000e-03 -2.5420000000e-04 -1.1394600000e-02 -1.4320300000e-02  9.2710000000e-04  1.2516600000e-02 -3.9056000000e-03 -8.4895000000e-03  1.9461000000e-03 -3.3163000000e-03 -4.0597000000e-03  2.3102000000e-03  9.4449000000e-03  8.7972000000e-03 -1.0100300000e-02  7.7302000000e-03 -1.3341000000e-03 -4.1574000000e-03  9.8420000000e-04  1.5491100000e-02  1.2371400000e-02  2.4560000000e-04 -6.7492000000e-03 -2.2313000000e-03 -8.2980000000e-04 -2.8380000000e-03  1.3451000000e-03 -3.5537000000e-03 -3.5702000000e-03  2.8116000000e-03  3.5826000000e-03  4.4682000000e-03 -2.6802000000e-03 -1.0503100000e-02  4.4162000000e-03  6.5377000000e-03  5.8070000000e-03 -9.2808000000e-03 -4.6271000000e-03 -2.0665000000e-03  3.4356000000e-03  3.0194000000e-03 -5.4972000000e-03  3.4691000000e-03 -4.1537000000e-03  9.8695000000e-03 -8.2040000000e-03  1.1973900000e-02 -2.4942000000e-03  2.7156000000e-03 -4.4508000000e-03 -2.5919000000e-03  2.1523000000e-03 -1.8162800000e-02  1.9295000000e-03  2.9833000000e-03  1.7204800000e-02  8.3740000000e-04 -2.1669000000e-03 -6.8992000000e-03  1.8103300000e-02 -1.2529000000e-03  3.6231000000e-03  1.5207000000e-03 -1.1686700000e-02  7.7608000000e-03 -1.0648400000e-02  1.2916100000e-02 -1.0122500000e-02  1.3417400000e-02  1.1573900000e-02  1.3250100000e-02 -9.7466000000e-03 -6.2488000000e-03 -6.7006000000e-03 -1.3453100000e-02 -3.8393000000e-03  3.9091000000e-03  2.7094000000e-03 -2.0790000000e-04 -1.2571000000e-03  5.8170000000e-04  5.8454000000e-03  3.7511000000e-03 -6.6539000000e-03 -1.4208200000e-02 -5.8644000000e-03

JOB 87
COORDS   1.6411000000e-01  1.1368200000e+00  2.5393000000e+00  6.2656000000e-01  1.9745000000e+00  2.5647700000e+00 -6.4612000000e-01  1.3243000000e+00  2.0653600000e+00 -2.2809200000e+00 -3.0403300000e+00 -3.8694400000e+00 -2.9318900000e+00 -2.7346500000e+00 -3.2377600000e+00 -2.7834500000e+00 -3.5520800000e+00 -4.5033300000e+00  3.2214200000e+00  9.0185000000e-01  2.3297000000e+00  2.5554500000e+00  3.3153000000e-01  2.7136900000e+00  3.9213600000e+00  3.0662000000e-01  2.0613300000e+00 -4.9918000000e-01 -4.6018000000e-01 -3.0163800000e+00 -3.3851000000e-01 -7.3937000000e-01 -2.1150100000e+00 -8.3237000000e-01 -1.2433400000e+00 -3.4544100000e+00 -2.1071300000e+00  1.6651800000e+00  2.0552000000e-01 -2.8943000000e+00  2.2097900000e+00  2.0672000000e-01 -1.5326300000e+00  2.0751700000e+00 -4.4108000000e-01  1.8615900000e+00  3.0162600000e+00  1.2449300000e+00  2.0598200000e+00  2.1391600000e+00  9.1686000000e-01  2.4848600000e+00  3.1520800000e+00  1.9586000000e+00 -3.6256000000e-01  2.5482900000e+00 -1.8619000000e+00 -4.2329000000e-01  1.9282800000e+00 -2.5886300000e+00 -1.7206000000e-01  3.3886600000e+00 -2.2786900000e+00  2.8728900000e+00 -2.0998700000e+00  3.4802600000e+00  2.2193800000e+00 -2.0405000000e+00  2.7833900000e+00  3.2294300000e+00 -2.9845700000e+00  3.4001700000e+00  1.5594400000e+00  1.0631500000e+00 -4.8906000000e-01  2.1913000000e+00  1.3965800000e+00 -1.1260900000e+00  7.4172000000e-01  1.5114800000e+00 -7.0487000000e-01 -1.4519300000e+00 -1.3183900000e+00 -7.9330000000e-02 -1.6462700000e+00 -4.0589000000e-01  1.3469000000e-01 -5.8060000000e-01 -1.4704000000e+00  2.8661000000e-01  7.7607000000e-01 -1.3508300000e+00  1.3807900000e+00  3.3258000000e-01 -6.9544000000e-01  1.9193300000e+00  1.2764200000e+00 -8.3991000000e-01  7.4451000000e-01 -3.7148900000e+00 -2.1537300000e+00 -1.7784100000e+00 -4.4705300000e+00 -1.6793300000e+00 -1.4317300000e+00 -2.9907700000e+00 -1.9040300000e+00 -1.2043600000e+00
ENERGY -9.171696525849e+02
EMD0 -3.079353770000e+02
FORCES   9.1056000000e-03  9.2368000000e-03 -3.3908000000e-03 -8.7001000000e-03 -4.9777000000e-03  5.3320000000e-03  7.6732000000e-03 -2.2696000000e-03  3.3870000000e-03 -5.5035000000e-03  1.3126000000e-03  9.8820000000e-03  6.3598000000e-03 -5.6277000000e-03 -1.2015000000e-02 -4.5953000000e-03  1.7069000000e-03  3.7380000000e-03 -1.4753000000e-03  1.8738000000e-03  3.6940000000e-03  3.3054000000e-03  3.2650000000e-04 -5.1826000000e-03 -3.5628000000e-03 -6.3800000000e-05 -1.9136000000e-03 -5.1127000000e-03 -8.1338000000e-03 -2.5977000000e-03  2.2828000000e-03  1.1992000000e-03 -5.9960000000e-03  6.5789000000e-03  4.5936000000e-03  7.6651000000e-03  1.3050000000e-04  3.2720000000e-03 -7.0573000000e-03  3.8886000000e-03  3.2593000000e-03 -3.9855000000e-03 -8.5343000000e-03 -3.6074000000e-03  9.3819000000e-03  3.7956000000e-03 -1.5962900000e-02 -1.0479700000e-02 -2.3670000000e-04  9.3681000000e-03  3.8970000000e-03 -3.7792000000e-03 -1.7026000000e-03 -1.9920000000e-04  8.5650000000e-04 -3.6750000000e-04  3.6478000000e-03  4.7014000000e-03  1.4204700000e-02  4.7311000000e-03 -1.1842000000e-03 -5.8441000000e-03 -6.6756000000e-03 -3.9861000000e-03 -2.0500000000e-04  2.6990000000e-03  1.1901700000e-02 -1.9955000000e-03  6.0768000000e-03 -3.5757000000e-03  1.3853000000e-03 -4.0076000000e-03 -4.8810000000e-03  1.3797300000e-02 -1.1882000000e-03 -2.1608000000e-03  2.5464000000e-03  2.2662000000e-03  4.9395000000e-03 -6.8527000000e-03  2.1568000000e-03  1.2193000000e-02 -6.1852000000e-03  1.5261900000e-02  8.6162000000e-03 -9.2897000000e-03  3.8030000000e-04 -7.3234000000e-03  1.4584400000e-02 -9.1052000000e-03 -7.0264000000e-03  9.5921000000e-03  2.8286000000e-03 -2.4620000000e-03 -1.0370900000e-02 -1.1026100000e-02 -8.3907000000e-03 -8.5442000000e-03  3.4790000000e-03  8.2297000000e-03 -4.0645000000e-03 -3.0208000000e-03  4.1534000000e-03  1.8118000000e-03  4.6563000000e-03 -1.6221400000e-02  1.9941000000e-03 -7.3197000000e-03

JOB 88
COORDS   9.8974000000e-01  2.5617600000e+00  1.2707500000e+00  1.4244300000e+00  1.8749200000e+00  1.7762500000e+00  9.1174000000e-01  2.1978200000e+00  3.8889000000e-01 -7.9609000000e-01  2.0828000000e-01 -3.4204200000e+00 -1.0189600000e+00 -6.9334000000e-01 -3.1888200000e+00 -1.4423000000e-01  1.2320000000e-01 -4.1161800000e+00  4.5943900000e+00  2.8125300000e+00  1.8019700000e+00  4.0214500000e+00  3.2581800000e+00  1.1779800000e+00  4.3418400000e+00  3.1664100000e+00  2.6547400000e+00  7.8795000000e-01  1.1928400000e+00 -9.4120000000e-01  9.5270000000e-02  6.3147000000e-01 -5.9295000000e-01  3.5683000000e-01  1.7137000000e+00 -1.6187500000e+00 -3.0357600000e+00  1.4265100000e+00 -7.2957000000e-01 -3.6958100000e+00  2.0272800000e+00 -3.8366000000e-01 -3.4717700000e+00  9.8462000000e-01 -1.4581700000e+00  2.8155700000e+00  8.2390000000e-01  2.4220900000e+00  2.6071800000e+00  1.9048000000e-01  1.7353800000e+00  3.5720800000e+00  1.3035200000e+00  2.0846400000e+00 -4.0153600000e+00  6.8367000000e-01 -3.1458600000e+00 -3.1103800000e+00  8.5891000000e-01 -3.4038300000e+00 -4.3342100000e+00  5.9600000000e-02 -3.7978600000e+00 -1.0406400000e+00 -3.7317800000e+00  1.0706900000e+00 -3.6472000000e-01 -3.1616500000e+00  1.4371900000e+00 -9.4903000000e-01 -4.5534200000e+00  1.5531200000e+00  2.1061200000e+00 -9.4379000000e-01  4.2679000000e-01  2.0705000000e+00 -1.6634400000e+00 -2.0336000000e-01  2.0520800000e+00 -1.5258000000e-01 -1.0921000000e-01 -1.0613400000e+00 -1.7742000000e-01  2.2439000000e-01 -1.6781300000e+00  5.2677000000e-01  2.4580000000e-02 -1.4122700000e+00 -5.8658000000e-01  1.0153800000e+00  2.6680000000e-01 -2.0844600000e+00  2.5748800000e+00  9.9042000000e-01 -2.4029400000e+00  3.1144800000e+00  6.6890000000e-01 -1.4442500000e+00  1.9877900000e+00 -1.6025100000e+00 -2.7247300000e+00 -1.4433600000e+00 -1.4663200000e+00 -3.2121300000e+00 -6.3088000000e-01 -1.5941300000e+00 -1.8056300000e+00 -1.1761400000e+00
ENERGY -9.171490170811e+02
EMD0 -2.989009340000e+02
FORCES   2.8212000000e-03 -1.4638400000e-02 -7.6291000000e-03 -5.9530000000e-03 -4.5600000000e-05 -1.2635300000e-02  5.7660000000e-04 -4.1340000000e-04  6.6564000000e-03  5.2915000000e-03 -1.7090000000e-04  2.6625000000e-03  1.2278000000e-03  5.6160000000e-03 -5.9135000000e-03 -2.2285000000e-03 -4.1544000000e-03  2.0776000000e-03  1.4909000000e-03  4.6690000000e-04  1.7910000000e-04  2.3255000000e-03 -1.7923000000e-03  4.8311000000e-03 -2.3260000000e-03 -1.9347000000e-03 -4.7847000000e-03 -9.8453000000e-03 -5.6833000000e-03  1.4946700000e-02  3.3679000000e-03  1.3909300000e-02 -7.8750000000e-03 -3.5339000000e-03  5.0940000000e-04  7.0024000000e-03 -1.3764000000e-03 -4.3409000000e-03 -8.1050000000e-03 -3.6999000000e-03 -3.1216000000e-03 -4.4626000000e-03  5.6336000000e-03  7.9895000000e-03  8.1262000000e-03  8.8641000000e-03  5.1733000000e-03 -4.2790000000e-04 -2.7142000000e-03  1.4043300000e-02 -5.4917000000e-03 -1.1006200000e-02 -8.3884000000e-03 -1.4894000000e-03 -3.5598000000e-03  1.2463000000e-03  3.3450000000e-03 -9.8013000000e-03 -4.5030000000e-03  3.6858000000e-03  6.4018000000e-03  3.0492000000e-03 -3.1673000000e-03  5.2232000000e-03  1.4406000000e-02  1.0832100000e-02 -1.6698000000e-03 -9.7847000000e-03 -1.0692000000e-02  5.5051000000e-03  2.9324000000e-03  2.7259000000e-03  9.6230000000e-04  3.9936000000e-03  7.8130000000e-04 -5.9750000000e-04  5.3400000000e-03 -2.4747000000e-03  6.4457000000e-03 -9.6812000000e-03  8.7524000000e-03  2.9037000000e-03  1.2748200000e-02 -2.6610000000e-03  1.7843100000e-02 -1.1654800000e-02  4.9060000000e-03 -4.4159000000e-03  3.9978000000e-03 -4.2491000000e-03 -6.3714000000e-03 -9.8700000000e-04 -6.9590000000e-04 -2.2550000000e-04 -2.6540000000e-04 -4.9914000000e-03 -6.4278000000e-03 -1.0474300000e-02  6.0848000000e-03  2.1540000000e-04 -7.9011000000e-03  1.5495500000e-02 -1.2994000000e-03  9.7145000000e-03 -9.6970000000e-03 -4.7400000000e-05 -5.2004000000e-03 -5.6479000000e-03

JOB 89
COORDS   3.6443600000e+00  1.7458100000e+00 -4.7267000000e-01  3.8391400000e+00  9.2579000000e-01 -1.8960000000e-02  2.8251500000e+00  1.5743700000e+00 -9.3714000000e-01  2.8462000000e-01 -9.1112000000e-01 -3.1449600000e+00  4.5132000000e-01 -1.8405200000e+00 -2.9879400000e+00 -6.6181000000e-01 -8.1568000000e-01 -3.0382400000e+00  2.9161300000e+00  3.4179800000e+00  1.4885400000e+00  3.2595300000e+00  3.0139500000e+00  6.9162000000e-01  2.4770300000e+00  4.2124400000e+00  1.1847900000e+00  9.7818000000e-01  6.2602000000e-01 -9.6650000000e-01  2.4994000000e-01  7.1302000000e-01 -3.5141000000e-01  6.7046000000e-01 -7.5400000000e-03 -1.6146800000e+00 -4.1423800000e+00  2.0775000000e-01  8.0202000000e-01 -4.5565000000e+00  3.4851000000e-01  1.6534400000e+00 -4.8674600000e+00  2.2141000000e-01  1.7728000000e-01  3.5137200000e+00  1.2240300000e+00  2.8858200000e+00  4.4446600000e+00  1.3622300000e+00  2.7112300000e+00  3.0994600000e+00  2.0539800000e+00  2.6495600000e+00 -5.3727600000e+00 -3.3352000000e-01 -1.6885100000e+00 -4.4393500000e+00 -4.7956000000e-01 -1.5346800000e+00 -5.5525500000e+00 -7.8077000000e-01 -2.5154700000e+00 -5.3163000000e-01 -3.2294500000e+00 -1.1074800000e+00 -2.8290000000e-01 -2.9505300000e+00 -2.2625000000e-01 -1.0382800000e+00 -4.0301500000e+00 -9.7171000000e-01  2.3448400000e+00 -6.1515000000e-01  1.3533000000e+00  2.7988600000e+00  1.3420000000e-02  1.9145400000e+00  2.1152900000e+00 -1.1531000000e-01  5.6990000000e-01 -1.1017000000e+00  7.8069000000e-01  8.5098000000e-01 -2.0320700000e+00  1.0057000000e+00  8.5561000000e-01 -1.0671000000e+00 -1.0461000000e-01  1.2133100000e+00 -3.1474000000e-01 -2.0106100000e+00  1.5593100000e+00 -2.1860000000e-01 -2.9295600000e+00  1.8093500000e+00  5.8204000000e-01 -1.6788000000e+00  1.5152800000e+00 -2.1231200000e+00 -7.6945000000e-01 -1.5893200000e+00 -1.7909800000e+00 -1.6359900000e+00 -1.3547500000e+00 -1.8077800000e+00 -1.9469000000e-01 -8.9186000000e-01
ENERGY -9.171809912472e+02
EMD0 -3.373414990000e+02
FORCES  -6.3304000000e-03 -1.4494000000e-03 -5.3170000000e-04 -4.4326000000e-03  2.1182000000e-03 -6.8640000000e-04  1.2310300000e-02  2.1252000000e-03  6.2395000000e-03 -4.4083000000e-03  2.6915000000e-03 -1.8266000000e-03 -2.9237000000e-03  4.5270000000e-03 -4.2210000000e-04  1.0361600000e-02 -4.8780000000e-03 -1.3230000000e-04  4.7431000000e-03 -1.4323400000e-02 -5.7083000000e-03 -7.2100000000e-03  1.4685400000e-02  1.1208200000e-02  3.2243000000e-03 -2.4597000000e-03 -7.7454000000e-03 -1.1464300000e-02 -5.5890000000e-04 -1.1122900000e-02  6.9033000000e-03 -1.3302000000e-02 -9.1940000000e-03 -6.6718000000e-03  5.7948000000e-03  2.0132500000e-02 -4.2977000000e-03 -4.1984000000e-03 -6.8858000000e-03 -2.2060000000e-03  8.6880000000e-04 -4.0954000000e-03  4.7988000000e-03  2.5570000000e-04  7.6402000000e-03 -8.5443000000e-03  9.3518000000e-03 -2.2593000000e-03 -2.8349000000e-03  8.3390000000e-04 -3.0502000000e-03  8.4148000000e-03 -1.3582300000e-02  2.9200000000e-03 -3.9080000000e-04  1.1167000000e-03 -1.0100000000e-03 -1.3268900000e-02  1.4694000000e-03  2.4356000000e-03  5.1477000000e-03 -1.1348000000e-03  7.6840000000e-04  6.4633000000e-03  9.0780000000e-04  3.6223000000e-03 -4.2395000000e-03 -1.0808800000e-02 -6.7016000000e-03  1.4946000000e-03  3.9183000000e-03  6.0628000000e-03  1.0184900000e-02  1.5427900000e-02  1.3337300000e-02 -4.6823000000e-03 -6.1080000000e-03 -2.0742500000e-02  9.0169000000e-03  3.0720000000e-04  1.1405400000e-02  8.3910000000e-04  6.3674000000e-03  7.6559000000e-03  8.8781000000e-03 -5.5043000000e-03  2.4770000000e-04 -2.0426000000e-03  8.1498000000e-03 -1.1028400000e-02  2.7253000000e-03  8.3828000000e-03  1.2272700000e-02  5.4537000000e-03  9.3790000000e-04 -1.0415300000e-02 -1.9249400000e-02 -1.4262900000e-02 -4.4084000000e-03  5.8678000000e-03 -5.9830000000e-04  6.3294000000e-03 -2.1975000000e-03  1.2010100000e-02 -6.6310000000e-04  5.6780000000e-04 -9.0785000000e-03 -3.6481000000e-03

JOB 90
COORDS   3.1895100000e+00  2.2634900000e+00  2.1210000000e-02  2.3409500000e+00  1.8289900000e+00  1.0723000000e-01  3.1371700000e+00  2.7291700000e+00 -8.1344000000e-01  1.4410300000e+00 -5.0588000000e-01 -2.6169000000e+00  2.0812500000e+00 -1.1091400000e+00 -2.2395000000e+00  6.0844000000e-01 -9.7507000000e-01 -2.5631900000e+00  4.4093500000e+00  1.3832000000e+00  2.2383000000e+00  4.0022800000e+00  1.9243400000e+00  1.5617700000e+00  4.9317900000e+00  7.4476000000e-01  1.7528300000e+00 -8.2810000000e-02  1.4151000000e+00 -1.0786300000e+00 -9.3501000000e-01  1.0857800000e+00 -1.3641600000e+00  5.5258000000e-01  8.9445000000e-01 -1.5700000000e+00 -3.6156600000e+00  9.3608000000e-01  5.7371000000e-01 -4.3132600000e+00  9.5397000000e-01  1.2288900000e+00 -3.1767700000e+00  9.6960000000e-02  7.1330000000e-01  1.7352300000e+00  1.4023600000e+00  3.0925600000e+00  1.7314700000e+00  1.2819900000e+00  4.0421600000e+00  2.6284300000e+00  1.6801400000e+00  2.8894100000e+00 -2.5578800000e+00 -1.5170100000e+00  1.3030800000e+00 -2.7172200000e+00 -2.2936200000e+00  7.6669000000e-01 -1.7445000000e+00 -1.7101200000e+00  1.7693100000e+00 -2.1493300000e+00 -3.4941700000e+00 -7.5355000000e-01 -2.0890100000e+00 -4.2831500000e+00 -2.1495000000e-01 -1.2521900000e+00 -3.1631000000e+00 -7.9556000000e-01  1.3430400000e+00  1.5215000000e-01  7.7346000000e-01  1.6245000000e+00  3.9089000000e-01  1.6566500000e+00  5.4422000000e-01  6.5983000000e-01  6.3070000000e-01 -2.7262500000e+00  1.6629800000e+00 -1.9248900000e+00 -3.1170400000e+00  1.3613700000e+00 -1.1048000000e+00 -2.3533800000e+00  2.5186300000e+00 -1.7126300000e+00  5.1535000000e-01 -2.4479300000e+00  9.1526000000e-01  1.3667500000e+00 -2.7381300000e+00  1.2425700000e+00  6.8908000000e-01 -1.5944400000e+00  5.1827000000e-01 -1.5232600000e+00 -1.1427700000e+00 -2.6193200000e+00 -2.2744300000e+00 -1.7335700000e+00 -2.6735300000e+00 -1.9083500000e+00 -2.6690000000e-01 -2.5913600000e+00
ENERGY -9.171711560607e+02
EMD0 -3.155710290000e+02
FORCES   1.4571000000e-03 -6.1154000000e-03  4.9356000000e-03  6.7099000000e-03  1.2597700000e-02 -1.9973000000e-03 -5.5622000000e-03 -4.0505000000e-03 -1.7090000000e-04 -5.7020000000e-04  2.4440000000e-04 -4.8804000000e-03 -5.3757000000e-03 -3.5143000000e-03 -1.8104000000e-03  1.3244800000e-02  4.0019000000e-03  7.2993000000e-03 -2.2086000000e-03  2.2842000000e-03 -1.0129100000e-02 -3.3884000000e-03 -8.9215000000e-03  1.5501000000e-02  4.5210000000e-04  1.9460000000e-03 -1.9483000000e-03 -9.9670000000e-04 -1.9038000000e-03 -7.3324000000e-03  8.2710000000e-03 -4.8800000000e-03  1.1835000000e-03 -1.2638600000e-02  3.7804000000e-03  6.5682000000e-03  4.1098000000e-03 -5.6667000000e-03  2.2654000000e-03  2.2193000000e-03 -4.6219000000e-03  2.4858000000e-03 -1.0086900000e-02  1.4374900000e-02 -5.6206000000e-03  3.5512000000e-03 -2.7607000000e-03 -5.6056000000e-03  4.4293000000e-03  2.5936000000e-03 -1.0376000000e-03 -1.0583400000e-02  1.2340000000e-03 -9.5490000000e-04  2.5058000000e-03 -3.1243000000e-03 -6.0591000000e-03  1.4961000000e-03  3.2638000000e-03  1.2037600000e-02 -6.3582000000e-03 -3.5421000000e-03 -1.1436000000e-03  2.7480000000e-03  1.0676000000e-03 -5.4281000000e-03  1.7969000000e-03  5.5841000000e-03  1.7047000000e-03 -5.9790000000e-03 -6.6835000000e-03  4.1820000000e-04 -4.8031000000e-03  3.0584000000e-03  9.1313000000e-03  3.0200000000e-05  3.8677000000e-03 -1.5369600000e-02  8.7268000000e-03 -5.6442000000e-03  9.8231000000e-03 -8.9519000000e-03  5.5518000000e-03  7.0010000000e-03  1.4838300000e-02  1.1260000000e-03 -1.2924900000e-02 -1.1541000000e-03 -3.9852000000e-03  4.6891000000e-03  7.6371000000e-03  1.5794800000e-02  3.5090000000e-03  3.0900000000e-04  1.8343000000e-03 -2.4166000000e-03 -3.5619000000e-03 -1.5963700000e-02 -2.7375000000e-03 -3.3696000000e-03  1.2078000000e-03 -1.6630000000e-03 -1.1867000000e-03  7.0913000000e-03 -1.1310000000e-03  2.2425000000e-03 -1.1127200000e-02  1.8078000000e-03

JOB 91
COORDS   3.0552600000e+00  1.6570100000e+00  1.3904000000e-01  3.9702000000e+00  1.5706700000e+00 -1.2865000000e-01  2.5628600000e+00  1.6443500000e+00 -6.8170000000e-01  1.6840000000e-02 -2.4288000000e+00 -3.0711100000e+00 -4.2704000000e-01 -1.6998200000e+00 -2.6377600000e+00 -2.7034000000e-01 -2.3768600000e+00 -3.9827400000e+00  8.8606000000e-01  2.7362300000e+00  1.5396000000e+00  1.7032900000e+00  2.4490100000e+00  1.1323200000e+00  1.0693300000e+00  3.6247900000e+00  1.8447400000e+00  1.0427700000e+00  1.3137100000e+00 -1.6689400000e+00  2.7129000000e-01  1.8750900000e+00 -1.5921100000e+00  7.2571000000e-01  4.3835000000e-01 -1.4465700000e+00 -2.9321700000e+00  1.7576800000e+00  9.1676000000e-01 -3.8339000000e+00  1.5154400000e+00  7.0596000000e-01 -2.5061800000e+00  9.2913000000e-01  1.1364300000e+00  7.0131000000e-01 -1.2088000000e-01  2.9364600000e+00  1.3835400000e+00  1.1673000000e-01  3.5644200000e+00  4.2618000000e-01  7.1244000000e-01  2.5542200000e+00 -1.5305300000e+00 -3.6489000000e-01  7.1978000000e-01 -1.6777300000e+00 -1.2417400000e+00  1.0743200000e+00 -5.7810000000e-01 -2.8155000000e-01  6.7340000000e-01 -1.5188400000e+00 -3.0868700000e+00  9.3953000000e-01 -1.1653900000e+00 -3.4916000000e+00  1.7316800000e+00 -8.3702000000e-01 -3.2147500000e+00  2.7998000000e-01  1.9232000000e+00 -8.7601000000e-01  2.5225000000e-01  2.0077400000e+00 -9.2979000000e-01  1.2042000000e+00  2.5424300000e+00 -1.9311000000e-01 -5.4700000000e-03 -9.7540000000e-01  3.3652100000e+00 -3.2248000000e-01 -2.7972000000e-01  3.4042000000e+00  3.3382000000e-01 -1.7226700000e+00  2.9882700000e+00  1.4201000000e-01  8.6890000000e-01 -3.4328500000e+00 -6.0205000000e-01  5.7026000000e-01 -3.2668700000e+00 -1.4961900000e+00  1.1559500000e+00 -2.5775400000e+00 -2.8223000000e-01 -1.6259500000e+00 -6.2497000000e-01 -1.8416800000e+00 -2.0756800000e+00  1.4267000000e-01 -2.1947900000e+00 -1.5959100000e+00 -4.7217000000e-01 -8.9723000000e-01
ENERGY -9.171820967949e+02
EMD0 -3.365794930000e+02
FORCES  -1.2988800000e-02  5.2882000000e-03 -2.0254000000e-03 -6.3775000000e-03 -5.6934000000e-03 -6.9913000000e-03  2.0993300000e-02 -5.0398000000e-03  1.5082700000e-02 -7.0166000000e-03  2.5135000000e-03  5.1221000000e-03  1.1416200000e-02 -9.3058000000e-03 -6.9141000000e-03 -2.0866000000e-03  6.0909000000e-03  1.3187000000e-03  1.0554000000e-03 -4.1148000000e-03 -8.4348000000e-03 -1.0820600000e-02  8.0848000000e-03  6.5784000000e-03  9.2240000000e-04 -2.1407000000e-03 -8.0795000000e-03 -5.3774000000e-03  2.7100000000e-03 -1.1345000000e-03  5.7558000000e-03 -1.3237700000e-02 -3.3998000000e-03 -5.7140000000e-04  6.9527000000e-03  2.4417000000e-03  1.4432400000e-02 -1.2329900000e-02 -1.4376000000e-03  2.9816000000e-03 -6.2576000000e-03  1.4583000000e-03 -1.1772900000e-02  6.0004000000e-03  5.3610000000e-04 -5.6947000000e-03  3.3764000000e-03  2.5410000000e-03 -6.7480000000e-04  1.5955000000e-03 -4.0163000000e-03  3.8411000000e-03 -8.4629000000e-03  3.1801000000e-03 -1.0848500000e-02 -6.5887000000e-03 -2.0573000000e-03  3.9460000000e-03  2.2813900000e-02 -2.1046000000e-03 -9.4410000000e-03 -3.1289000000e-03 -7.5230000000e-03  8.0258000000e-03 -8.9384000000e-03 -1.3298600000e-02  1.5045000000e-03  2.4069000000e-03 -2.1223000000e-03 -1.2283000000e-02  7.9162000000e-03  1.2998500000e-02  7.4518000000e-03  8.8824000000e-03  7.3830000000e-04  6.4857000000e-03 -6.2070000000e-04 -7.5332000000e-03 -1.4161000000e-03 -4.3044000000e-03  1.8300000000e-04 -3.2785000000e-03 -3.6419000000e-03  1.3473700000e-02 -3.8834000000e-03  5.1431000000e-03 -7.7670000000e-04  1.1992700000e-02  7.4126000000e-03 -1.2195000000e-03  1.3884400000e-02 -4.1070000000e-04 -1.1773900000e-02 -8.2290000000e-04  5.0407000000e-03  1.5763800000e-02 -1.3750200000e-02 -6.7137000000e-03 -1.0634000000e-03 -3.8870000000e-03 -6.1283000000e-03  2.1107200000e-02  5.7830000000e-04  1.5510000000e-04  6.1627000000e-03  7.7244000000e-03  4.6750000000e-03 -1.6780500000e-02

JOB 92
COORDS   3.0541500000e+00  2.0887300000e+00 -1.4335900000e+00  3.7303100000e+00  1.4967500000e+00 -1.7631500000e+00  2.2786700000e+00  1.8812400000e+00 -1.9549400000e+00  1.2123800000e+00 -2.4212500000e+00 -3.2004500000e+00  7.3987000000e-01 -1.6087500000e+00 -3.0192800000e+00  2.1103400000e+00 -2.1419500000e+00 -3.3790300000e+00  2.6736200000e+00  2.3455900000e+00  1.3077900000e+00  3.0051800000e+00  2.4842600000e+00  4.2063000000e-01  2.9173500000e+00  1.4438700000e+00  1.5168800000e+00  5.5574000000e-01  1.3217400000e+00 -2.1699200000e+00  7.8800000000e-03  1.7533600000e+00 -1.5143300000e+00  1.0359000000e-01  4.9894000000e-01 -2.3564500000e+00 -2.2164800000e+00  2.4882000000e+00  4.2845400000e+00 -1.7940400000e+00  1.9055100000e+00  4.9156000000e+00 -1.5566700000e+00  3.1551500000e+00  4.0946500000e+00 -1.7840800000e+00  5.9324000000e-01  2.0080500000e+00 -2.0105900000e+00  1.1596300000e+00  2.7457000000e+00 -1.3899300000e+00  1.1827000000e+00  1.3650700000e+00 -2.2208200000e+00 -1.0034900000e+00 -2.3194000000e-01 -1.9937500000e+00 -1.9323200000e+00 -1.8790000000e-01 -2.1903400000e+00 -7.0561000000e-01  6.7722000000e-01 -1.6405300000e+00 -3.9723800000e+00  1.2636000000e-01 -1.9783100000e+00 -4.7758100000e+00 -2.6941000000e-01 -6.9207000000e-01 -4.0985300000e+00  1.5339000000e-01  1.0849600000e+00  3.4565000000e-01  2.2892600000e+00  1.5730000000e-01  2.2912000000e-01  2.0840500000e+00  1.3483500000e+00  1.1134600000e+00  1.7819900000e+00 -6.0294000000e-01  3.0362600000e+00  8.7240000000e-02 -1.2118000000e+00  3.6713000000e+00  4.6440000000e-01  2.6413000000e-01  3.3641800000e+00  3.2577000000e-01  9.8008000000e-01 -4.0825500000e+00 -3.9093000000e-01  9.2780000000e-01 -3.5014000000e+00 -1.1497200000e+00  1.5259000000e+00 -3.6090500000e+00  2.3685000000e-01 -1.1570500000e+00 -8.3795000000e-01 -2.6957800000e+00 -1.9130900000e+00 -3.7034000000e-01 -3.0507000000e+00 -1.4045600000e+00 -1.0454900000e+00 -1.7947300000e+00
ENERGY -9.171530166169e+02
EMD0 -2.884420220000e+02
FORCES  -1.7100800000e-02 -4.3220000000e-04 -1.5892000000e-03 -4.9847000000e-03 -2.0364000000e-03 -1.7746000000e-03  1.9661500000e-02  2.3586000000e-03  2.0310000000e-04 -6.8840000000e-03  1.4190000000e-04 -9.7762000000e-03  1.4547900000e-02 -1.9500000000e-03  4.1042000000e-03 -4.1465000000e-03  4.2675000000e-03  2.2744000000e-03  3.7457000000e-03 -1.4136000000e-03 -7.5129000000e-03  3.9110000000e-04 -1.2216000000e-03  1.5135600000e-02 -1.0285600000e-02  5.4210000000e-04 -3.4296000000e-03 -5.9143000000e-03 -6.2560000000e-03 -1.6692000000e-03  2.7600000000e-03 -8.0946000000e-03 -4.4172000000e-03  6.7168000000e-03  9.8837000000e-03  7.4484000000e-03 -5.5497000000e-03  5.4299000000e-03  6.2647000000e-03  1.8904000000e-03  3.0742000000e-03 -5.6653000000e-03  2.0430000000e-04 -5.4709000000e-03  7.2220000000e-04 -7.5012000000e-03  2.0057000000e-03  7.6296000000e-03  8.2236000000e-03 -3.0899000000e-03 -1.1146000000e-02  1.2629000000e-03 -7.0964000000e-03  9.9791000000e-03 -5.3475000000e-03  4.8027000000e-03  5.9644000000e-03  5.6444000000e-03  1.8420400000e-02 -3.6829000000e-03  3.2388000000e-03 -9.7860000000e-03 -8.0122000000e-03  1.3581900000e-02 -4.2675000000e-03 -6.3470000000e-04  5.6428000000e-03 -1.4813000000e-03  8.5610000000e-04 -1.4706100000e-02  9.3300000000e-05  1.0244000000e-03 -1.4804000000e-03  3.5631000000e-03  1.0197000000e-03  7.1630000000e-03  8.4654000000e-03 -6.5979000000e-03  2.9164000000e-03 -7.9262000000e-03  2.6390000000e-04 -1.0020000000e-04  3.2626000000e-03 -6.0344000000e-03  6.5208000000e-03 -6.8580000000e-04  4.0318000000e-03 -9.2002000000e-03  3.2250000000e-03 -4.8700000000e-04 -2.6862000000e-03 -4.5878000000e-03 -6.7348000000e-03 -6.9920000000e-04  2.7550000000e-04  1.5914600000e-02 -3.2309000000e-03  2.2886000000e-03 -4.4458000000e-03 -1.0221500000e-02 -4.4534000000e-03  9.4799000000e-03 -1.1100000000e-04  3.8100000000e-04  4.1198000000e-03  6.0378000000e-03 -2.2315000000e-03 -1.2825800000e-02

JOB 93
COORDS   2.9608400000e+00  3.0260600000e+00 -2.4526300000e+00  3.0059200000e+00  3.1168100000e+00 -3.4044500000e+00  2.2269100000e+00  2.4301100000e+00 -2.3028700000e+00  1.1567700000e+00 -2.8322900000e+00 -1.7991900000e+00  3.9648000000e-01 -2.3316100000e+00 -2.0950000000e+00  1.5767800000e+00 -2.2691800000e+00 -1.1490200000e+00  2.4907000000e+00  3.7853600000e+00  3.3934000000e-01  3.0256500000e+00  3.5578600000e+00 -4.2112000000e-01  2.7838300000e+00  3.1870600000e+00  1.0266100000e+00  5.6040000000e-01  1.7696800000e+00 -1.8131200000e+00  3.3339000000e-01  2.1061400000e+00 -9.4623000000e-01  2.2898000000e-01  8.7169000000e-01 -1.8163700000e+00 -1.9820000000e+00 -2.3107000000e-01  2.4248100000e+00 -1.6064400000e+00  4.5076000000e-01  1.8677600000e+00 -2.1658500000e+00 -9.5539000000e-01  1.8266600000e+00 -9.5926000000e-01  2.3058500000e+00  8.5278000000e-01 -1.8528100000e+00  2.3412900000e+00  1.1941700000e+00 -8.0790000000e-01  3.1768000000e+00  4.8568000000e-01 -2.8437300000e+00 -1.3648200000e+00  4.8930000000e-02 -2.2100300000e+00 -1.9548000000e+00  4.5708000000e-01 -2.4331600000e+00 -5.0146000000e-01  9.6670000000e-02 -1.2425700000e+00 -3.1360600000e+00  1.2441800000e+00 -9.4245000000e-01 -3.1081700000e+00  2.1526800000e+00 -7.2210000000e-01 -3.8307400000e+00  8.4072000000e-01 -4.0267000000e-01 -2.3207000000e+00  4.2547700000e+00 -1.1370700000e+00 -1.7485500000e+00  4.0322000000e+00  2.9427000000e-01 -1.7226400000e+00  4.5246500000e+00 -4.1920000000e-02  4.4615400000e+00 -5.9518000000e-01 -1.3727000000e-01  5.2898800000e+00 -1.0652700000e+00  8.9371000000e-01  4.4013800000e+00 -4.0229000000e-01  8.9831000000e-01 -4.9387400000e+00 -2.0151000000e-01  9.0208000000e-01 -4.1332900000e+00 -7.1868000000e-01  1.6739900000e+00 -5.4163500000e+00 -4.9552000000e-01 -6.6050000000e-01 -6.6280000000e-01 -2.2269900000e+00 -7.2594000000e-01 -1.0149000000e-01 -2.9995800000e+00 -1.5456700000e+00 -6.7406000000e-01 -1.8628700000e+00
ENERGY -9.171396856774e+02
EMD0 -2.791451880000e+02
FORCES  -7.5201000000e-03 -2.3767000000e-03  9.1050000000e-04 -4.8382000000e-03 -4.7940000000e-03  1.9780000000e-04  1.5126300000e-02  6.8857000000e-03 -6.2039000000e-03 -4.4528000000e-03 -1.2545000000e-03 -5.8060000000e-03  7.5494000000e-03 -5.1775000000e-03  5.2355000000e-03 -4.8234000000e-03 -4.8668000000e-03  1.5141000000e-03 -2.1344000000e-03  3.1680000000e-03 -5.8520000000e-04 -3.2670000000e-03 -2.8449000000e-03  1.4138800000e-02  5.2540000000e-03 -1.5746000000e-03 -5.8051000000e-03 -6.5455000000e-03 -1.4072000000e-03  2.0779000000e-03  2.6158000000e-03 -6.9206000000e-03 -1.6793000000e-03 -2.3997000000e-03  7.1444000000e-03 -4.3205000000e-03 -3.6555000000e-03 -4.5070000000e-04 -7.0562000000e-03 -9.7118000000e-03 -4.6212000000e-03 -4.6118000000e-03  7.9170000000e-03  1.4933000000e-03 -8.5800000000e-03  7.0713000000e-03  1.3081800000e-02 -4.5139000000e-03  3.3754000000e-03 -1.2086000000e-03 -2.0607000000e-03 -6.4453000000e-03 -1.5055700000e-02  7.8116000000e-03  2.2603000000e-03 -1.5319400000e-02  1.4303400000e-02 -7.1882000000e-03  2.5002500000e-02  2.0449000000e-03  5.7649000000e-03 -6.1714000000e-03  5.2553000000e-03 -3.4945000000e-03 -1.8576000000e-03 -2.5079000000e-03 -2.7449000000e-03 -2.5239000000e-03 -9.5398000000e-03 -1.9788000000e-03  7.7319000000e-03  6.9912000000e-03  8.1580000000e-04  1.6792000000e-03  4.0254000000e-03  6.1792000000e-03 -5.9942000000e-03  1.1653000000e-03 -3.6679000000e-03  1.5392000000e-03  4.0200000000e-05  4.6431000000e-03 -5.5384000000e-03  1.6399000000e-03  7.8837000000e-03  9.4040000000e-04  1.3501000000e-03 -1.3125100000e-02  6.5300000000e-03 -1.0018100000e-02  1.3872000000e-03  7.0005000000e-03 -1.1977400000e-02  2.2386000000e-03 -6.2604000000e-03  1.3800100000e-02  1.2596000000e-03  4.7240000000e-03 -2.9176000000e-03  4.7300000000e-05 -2.7603000000e-03  2.5165000000e-03 -3.1130000000e-04  3.7948000000e-03  1.0355800000e-02  6.9153000000e-03  8.2632000000e-03 -7.1907000000e-03

JOB 94
COORDS   1.8978400000e+00  3.5134000000e+00 -2.2934100000e+00  2.1046800000e+00  3.7052500000e+00 -3.2080900000e+00  1.4221200000e+00  2.6833400000e+00 -2.3239600000e+00  1.0256900000e+00 -6.2286400000e+00 -2.4142600000e+00  1.0808300000e+00 -7.0833200000e+00 -2.8417200000e+00  1.9354700000e+00 -5.9432300000e+00 -2.3301500000e+00 -1.3332000000e-01  4.6516200000e+00 -7.7225000000e-01 -6.4880000000e-01  4.0641100000e+00 -2.1966000000e-01  4.6837000000e-01  4.0735200000e+00 -1.2412900000e+00  7.7090000000e-01  9.6960000000e-01 -2.6430000000e+00  1.2558000000e-01  6.7658000000e-01 -1.9996200000e+00  1.4456900000e+00  2.9079000000e-01 -2.6323800000e+00 -2.0792300000e+00  4.8723000000e-01  3.6584500000e+00 -1.3435100000e+00  1.0705900000e+00  3.4723700000e+00 -2.7665600000e+00  7.6751000000e-01  3.0540900000e+00 -1.5691000000e-01  2.1082700000e+00  2.6151700000e+00  2.9104000000e-01  1.8856800000e+00  1.7990600000e+00  2.9700000000e-03  3.0451500000e+00  2.7288700000e+00 -8.0754000000e-01  1.0442000000e+00 -3.0065000000e-01 -6.1523000000e-01  1.0891000000e-01 -2.3384000000e-01 -1.6438900000e+00  1.1502300000e+00  1.5269000000e-01 -7.7665000000e-01 -1.7898200000e+00 -1.8815000000e-01 -7.6163000000e-01 -2.0241100000e+00  7.3981000000e-01 -8.5501000000e-01 -2.6268800000e+00 -6.4578000000e-01 -9.8462000000e-01 -1.8292700000e+00  2.9679000000e+00 -1.6505100000e+00 -2.4196100000e+00  3.3204900000e+00 -1.3207200000e+00 -9.5186000000e-01  3.1507100000e+00  1.5493000000e-01  4.8147400000e+00  2.1035000000e+00  7.8844000000e-01  5.1838200000e+00  2.7188700000e+00  2.5913000000e-01  5.3382400000e+00  1.3089500000e+00 -7.8223000000e-01 -4.6275000000e+00 -1.0340300000e+00 -1.8774000000e-01 -4.9878100000e+00 -1.6920600000e+00 -9.1857000000e-01 -5.3449600000e+00 -4.1525000000e-01  1.8514400000e+00 -2.9349400000e+00 -1.7091000000e+00  9.0740000000e-01 -2.9743400000e+00 -1.5558900000e+00  2.2068800000e+00 -2.5349600000e+00 -9.1543000000e-01
ENERGY -9.171543784747e+02
EMD0 -2.853257410000e+02
FORCES  -2.2801000000e-03 -4.9438000000e-03 -5.3940000000e-04 -1.8470000000e-04 -5.1017000000e-03 -6.2700000000e-05  2.2686000000e-03  1.8995500000e-02  2.4502000000e-03 -5.9737000000e-03  3.4889000000e-03  3.7760000000e-04  7.2648000000e-03  2.0853000000e-03  1.6510000000e-03 -1.7847000000e-03 -8.8659000000e-03 -2.4180000000e-03  9.0014000000e-03 -1.4782000000e-03 -1.2598000000e-02  5.8069000000e-03  1.0683000000e-03 -7.7040000000e-04 -1.3433500000e-02 -6.3450000000e-03  9.6750000000e-03 -6.3838000000e-03  3.1990000000e-03  9.4940000000e-04  1.0168500000e-02 -8.4379000000e-03 -2.7386000000e-03 -4.5061000000e-03  9.5850000000e-04  4.5891000000e-03  1.0705800000e-02  5.6053000000e-03  1.4852000000e-03 -1.3994200000e-02 -1.3503300000e-02  1.6909000000e-03  3.7092000000e-03 -2.4270000000e-04 -1.8516000000e-03 -1.4044000000e-03  7.7081000000e-03 -2.8182000000e-03  1.7910000000e-03  4.6617000000e-03  4.6250000000e-03  4.7309000000e-03 -9.7311000000e-03  2.9869000000e-03 -2.7061000000e-03 -7.7476000000e-03 -4.0022000000e-03  6.1780000000e-04  1.6353400000e-02 -1.5316000000e-03  2.4441000000e-03 -2.6461000000e-03  2.1783000000e-03 -5.5913000000e-03 -6.3614000000e-03  3.5070000000e-04  7.9400000000e-05 -1.8859000000e-03 -1.5194200000e-02  7.3099000000e-03  8.8664000000e-03  5.7370000000e-03 -5.8342000000e-03  2.0020400000e-02  1.4499700000e-02 -1.3316000000e-03  2.6911000000e-03 -1.5015000000e-03  5.7542000000e-03 -1.3930300000e-02 -6.8673000000e-03 -6.3710000000e-03 -3.5635000000e-03 -1.1682900000e-02 -3.4050000000e-04 -1.5224000000e-03 -4.6664000000e-03  3.0799000000e-03  3.7635000000e-03  1.5094600000e-02  3.5265000000e-03 -9.2399000000e-03 -4.1779000000e-03 -5.0021000000e-03  7.7449000000e-03  8.3235000000e-03  1.1840000000e-03 -1.8801000000e-03 -2.6392000000e-03 -2.1702000000e-03  5.1510000000e-04  1.5426000000e-03  2.1398000000e-03  4.4680000000e-04 -6.2600000000e-05 -2.2904000000e-03 -7.4550000000e-04 -2.0840000000e-03

JOB 95
COORDS   2.5374000000e-01  2.4145900000e+00 -4.0142300000e+00  3.8205000000e-01  1.8804100000e+00 -4.7980900000e+00  1.1398400000e+00  2.6170200000e+00 -3.7140800000e+00 -3.5104300000e+00 -1.8535800000e+00 -3.9195000000e-01 -3.5443400000e+00 -1.1492100000e+00 -1.0392000000e+00 -2.9783900000e+00 -1.4993600000e+00  3.2058000000e-01 -2.2383000000e-01  3.8850600000e+00 -1.5763300000e+00 -9.3688000000e-01  4.2631600000e+00 -2.0909500000e+00  1.1097000000e-01  3.1708500000e+00 -2.1185900000e+00  2.2587500000e+00  1.6819300000e+00 -1.1183100000e+00  2.0903200000e+00  7.3969000000e-01 -1.1118300000e+00  1.5177600000e+00  2.0614300000e+00 -6.4593000000e-01 -1.7141000000e+00 -1.3585900000e+00  2.9635700000e+00 -1.1403000000e+00 -9.4478000000e-01  2.3187900000e+00 -2.0699800000e+00 -6.2929000000e-01  3.4712100000e+00 -1.3935000000e-01  1.2205000000e-01  1.2225600000e+00  5.1943000000e-01 -1.4725000000e-01  5.8247000000e-01 -5.1680000000e-02  1.0739800000e+00  1.2711800000e+00  1.4909200000e+00 -1.0475400000e+00 -8.0589000000e-01  1.4221300000e+00 -1.7980800000e+00 -2.1581000000e-01  1.6497500000e+00 -1.4333400000e+00 -1.6673800000e+00  5.9298000000e-01 -3.2624200000e+00  3.4312000000e-01  1.2674000000e-01 -3.5724600000e+00  1.1194700000e+00  4.5590000000e-02 -3.5387900000e+00 -3.9188000000e-01 -9.9731000000e-01 -3.9422200000e+00  2.6832000000e+00 -5.4835000000e-01 -4.3422700000e+00  3.4279300000e+00 -1.3183100000e+00 -3.1049200000e+00  3.0180300000e+00  2.8123000000e-01  3.1960800000e+00  1.0086300000e+00  8.9341000000e-01  3.8813200000e+00  1.2768000000e+00 -1.0825000000e-01  3.5257300000e+00  1.9878000000e-01 -1.8445700000e+00 -3.9648300000e+00 -1.2840900000e+00 -2.3382200000e+00 -3.1621000000e+00 -1.1162700000e+00 -2.1934400000e+00 -4.5969200000e+00 -6.5561000000e-01  3.5627900000e+00  4.0397300000e+00  1.0718800000e+00  3.5699100000e+00  3.3046700000e+00  4.5880000000e-01  3.6021000000e+00  4.8171900000e+00  5.1488000000e-01
ENERGY -9.171671933025e+02
EMD0 -3.075599810000e+02
FORCES  -3.7003000000e-03 -1.5178000000e-03 -3.7160000000e-04  5.6661000000e-03  2.4117000000e-03  1.8472000000e-03 -7.0523000000e-03 -4.1450000000e-04 -1.8629000000e-03 -6.1247000000e-03 -1.7805000000e-03  4.2693000000e-03  4.0719000000e-03 -1.2396000000e-03  3.6191000000e-03 -1.2479000000e-03  1.1265000000e-03 -9.1773000000e-03  1.6676000000e-03 -2.1906000000e-03 -9.8330000000e-04  1.6033000000e-03 -2.2542000000e-03 -4.9530000000e-04  1.2402000000e-03  4.8376000000e-03  1.9666000000e-03  8.6720000000e-04 -1.1326500000e-02  6.2118000000e-03 -2.7017000000e-03  1.1524800000e-02 -3.6319000000e-03  1.9491000000e-03 -5.0489000000e-03 -8.3008000000e-03  9.5695000000e-03  7.1310000000e-04 -4.8436000000e-03 -1.4320400000e-02 -6.8045000000e-03  1.1617200000e-02  2.3542000000e-03  3.2438000000e-03 -4.3205000000e-03  3.2040000000e-03 -1.2367000000e-03 -8.9380000000e-04  8.6000000000e-05  8.0318000000e-03  6.2302000000e-03  1.5745000000e-03 -1.2101800000e-02 -6.0953000000e-03 -9.0605000000e-03 -1.4023600000e-02  1.2870100000e-02  5.8766000000e-03  1.6425700000e-02 -1.3755100000e-02  2.4214000000e-03 -1.5703000000e-03  2.8146000000e-03 -8.0635000000e-03 -1.1531000000e-03  5.5385000000e-03  4.3820000000e-03  7.8960000000e-04 -1.5647500000e-02  8.5371000000e-03  2.4608000000e-03  8.2798000000e-03 -8.3205000000e-03  1.0730500000e-02  1.1765000000e-03 -2.0809000000e-03  5.5673000000e-03  1.5701000000e-03  8.2637000000e-03 -1.5905700000e-02  1.4929000000e-03 -2.2045000000e-03  6.9448000000e-03 -2.9269000000e-03 -7.6402000000e-03  3.4479000000e-03 -6.7049000000e-03  7.7538000000e-03 -2.5490000000e-03  1.1334700000e-02 -1.2192900000e-02  6.1239000000e-03 -1.1151000000e-03  9.1210000000e-03 -8.4962000000e-03 -1.7591000000e-03  8.6670000000e-04  3.4922000000e-03 -8.7700000000e-05  4.4275000000e-03 -3.2436000000e-03  3.0597000000e-03  8.3760000000e-04  9.5263000000e-03  4.9690000000e-04 -1.6306000000e-03 -4.5409000000e-03 -1.4225000000e-03

JOB 96
COORDS   1.2263600000e+00  1.2796200000e+00 -3.3445900000e+00  1.9256000000e+00  1.0954000000e+00 -2.7174000000e+00  1.6441600000e+00  1.8145600000e+00 -4.0195100000e+00 -2.9013000000e+00 -3.1589000000e-01  3.0547000000e-01 -2.1014800000e+00 -3.1681000000e-01  8.3131000000e-01 -3.4644500000e+00 -9.6695000000e-01  7.2405000000e-01 -7.3974000000e-01  2.1921800000e+00 -1.5870400000e+00 -1.1920600000e+00  1.3598200000e+00 -1.4498800000e+00 -5.7450000000e-02  1.9918100000e+00 -2.2277800000e+00  2.4689100000e+00  1.5052300000e+00 -7.1837000000e-01  2.5248100000e+00  5.4993000000e-01 -7.4107000000e-01  1.7017700000e+00  1.6879100000e+00 -1.7583000000e-01  2.9892000000e-01 -1.9019200000e+00  3.3716300000e+00  6.0011000000e-01 -1.3256700000e+00  4.0740900000e+00  1.7452000000e-01 -1.3208100000e+00  2.6212600000e+00 -4.5501000000e-01 -3.0446000000e-01  1.4712700000e+00  9.0970000000e-02 -4.6781000000e-01  7.0221000000e-01 -2.2596000000e-01  5.8406000000e-01  1.7438600000e+00  1.5129600000e+00 -1.1546700000e+00 -2.2893000000e-01  1.6165300000e+00 -1.6932100000e+00 -1.0134500000e+00  1.4116900000e+00 -1.7856700000e+00  4.8368000000e-01 -1.7399000000e-01 -3.5753500000e+00 -6.3147000000e-01 -4.3397000000e-01 -3.5626500000e+00  2.8966000000e-01 -7.2901000000e-01 -2.9151600000e+00 -1.0466100000e+00 -1.1799700000e+00 -4.2340400000e+00  1.8214700000e+00 -1.5814300000e+00 -4.9874900000e+00  2.2543400000e+00 -9.9604000000e-01 -3.6191600000e+00  2.5316300000e+00  2.6623000000e-01  2.3673900000e+00  1.0710500000e+00  3.8567000000e-01  3.2777400000e+00  1.3416400000e+00 -2.4665000000e-01  2.4220200000e+00  2.6471000000e-01 -1.1377200000e+00 -1.0380700000e+00 -1.8023400000e+00 -1.8032400000e+00 -6.4444000000e-01 -1.2380900000e+00 -1.4347000000e+00 -8.4810000000e-01 -2.6922500000e+00  7.8682000000e-01  5.1210100000e+00  2.3139000000e-01  1.3533600000e+00  5.7540200000e+00  6.7249000000e-01  1.2877200000e+00  4.8445800000e+00 -5.3602000000e-01
ENERGY -9.171681390423e+02
EMD0 -3.111867210000e+02
FORCES   8.9070000000e-04 -9.1890000000e-04  6.9768000000e-03 -1.6900000000e-03 -2.3471000000e-03 -1.2076500000e-02  2.9798000000e-03 -1.6984000000e-03  3.8503000000e-03  6.9438000000e-03  1.8632000000e-03  7.5004000000e-03 -1.3365800000e-02 -3.7017000000e-03 -1.0587900000e-02  4.8412000000e-03  7.8360000000e-04  4.1410000000e-03  8.2379000000e-03 -1.9086000000e-03 -1.5428400000e-02  3.4091000000e-03  1.5861000000e-03  2.1116000000e-03 -1.1694100000e-02  2.2455000000e-03  1.0129100000e-02 -6.4767000000e-03  3.2590000000e-04  1.3629100000e-02 -1.6798000000e-03  7.0624000000e-03 -9.6345000000e-03  5.5708000000e-03 -5.8229000000e-03 -8.2261000000e-03 -5.9375000000e-03  1.1375000000e-02 -1.2184700000e-02 -4.9250000000e-04  4.5141000000e-03 -5.2256000000e-03  9.7760000000e-03 -5.7289000000e-03  9.2327000000e-03  5.4991000000e-03  1.7920000000e-03 -1.0278000000e-03 -5.8080000000e-03 -7.6900000000e-05  1.7459200000e-02 -5.4160000000e-04 -1.7282200000e-02 -7.2540000000e-04 -5.7275000000e-03 -4.9245000000e-03 -4.1718000000e-03  9.7627000000e-03  3.2526000000e-03  4.0355000000e-03 -6.9012000000e-03  7.9209000000e-03 -7.9060000000e-04 -7.4640000000e-03 -7.6799000000e-03  2.5192000000e-03  4.1791000000e-03  1.4981800000e-02 -6.2887000000e-03  6.5340000000e-04 -6.4610000000e-03  1.0079900000e-02  4.1799000000e-03 -3.4244000000e-03 -8.7411000000e-03  2.5130000000e-04  4.8878000000e-03  6.3190000000e-03 -6.8202000000e-03 -8.3798000000e-03 -6.0707000000e-03 -3.2346000000e-03  9.4272000000e-03 -8.4296000000e-03 -3.5527000000e-03 -6.1094000000e-03 -2.9020000000e-04  7.7260000000e-03 -2.0730000000e-03  1.6387400000e-02 -2.8007000000e-03 -2.5650000000e-03  5.8756000000e-03  1.3377800000e-02  3.9091000000e-03 -1.3045700000e-02 -4.0126000000e-03  3.0880000000e-03  5.5056000000e-03 -3.9899000000e-03  3.7880000000e-04 -3.5667000000e-03  1.4343000000e-03 -3.2178000000e-03 -3.9112000000e-03  2.4767000000e-03  4.9264000000e-03  4.6707000000e-03

JOB 97
COORDS  -1.0033800000e+00  9.0911000000e-01 -3.1761200000e+00 -1.0445400000e+00  1.8405600000e+00 -2.9594600000e+00 -1.7423200000e+00  7.6747000000e-01 -3.7678400000e+00 -2.4513400000e+00 -2.0561200000e+00  4.2861000000e-01 -1.8466100000e+00 -1.4776800000e+00 -3.6090000000e-02 -3.2301800000e+00 -1.5198200000e+00  5.7698000000e-01 -1.6931700000e+00  3.5341100000e+00 -2.1427800000e+00 -1.2695800000e+00  3.0939000000e+00 -1.4058800000e+00 -1.4587900000e+00  4.4562700000e+00 -2.0383700000e+00  1.9460900000e+00  1.7356500000e+00 -1.4887300000e+00  1.9654400000e+00  9.0604000000e-01 -1.0116500000e+00  2.4422900000e+00  1.5638900000e+00 -2.2890500000e+00  1.2497000000e-01 -7.5614000000e-01  2.8356200000e+00  1.0548400000e+00 -9.2573000000e-01  2.6845600000e+00 -1.1750000000e-01 -1.2641000000e-01  2.1567500000e+00 -9.6386000000e-01  3.9043000000e-01  3.2247000000e-01 -1.2866000000e-01  2.2920000000e-02  3.3310000000e-02 -8.0622000000e-01  1.3331500000e+00  3.7406000000e-01  1.4412800000e+00 -8.5298000000e-01 -1.7123000000e-01  9.8981000000e-01 -1.1162900000e+00 -9.7315000000e-01  1.3654800000e+00 -1.6119500000e+00  4.0710000000e-01  1.4855700000e+00 -3.2798800000e+00  1.5179800000e+00  6.0038000000e-01 -3.3154100000e+00  1.8804800000e+00  1.9560600000e+00 -3.9840000000e+00  1.9641600000e+00 -9.4795000000e-01 -3.1550700000e+00  2.3065400000e+00 -1.3931200000e+00 -2.9557300000e+00  1.4829400000e+00 -6.8186000000e-01 -2.3014400000e+00  2.6482400000e+00  3.2530000000e-02  3.1259500000e+00  7.3460000000e-02  2.1773000000e-01  2.8769000000e+00  9.7895000000e-01  7.6714000000e-01  2.7720000000e+00 -4.2783000000e-01  1.1691000000e-01 -1.3462500000e+00 -2.5297500000e+00  2.6864000000e-01 -1.6396900000e+00 -3.4281400000e+00 -4.2491000000e-01 -5.6253000000e-01 -2.6215500000e+00  1.7871100000e+00  1.6826400000e+00  2.0898300000e+00  2.6696400000e+00  1.5431800000e+00  1.7464300000e+00  1.8480500000e+00  1.4402500000e+00  3.0138300000e+00
ENERGY -9.171762367185e+02
EMD0 -3.368883620000e+02
FORCES   6.8151000000e-03  2.4299000000e-03  9.6722000000e-03 -1.9387000000e-03 -1.0894000000e-02 -4.0032000000e-03  2.6666000000e-03  7.7890000000e-04  9.6110000000e-04  2.8963000000e-03  1.1305000000e-03  1.0122900000e-02 -7.4250000000e-04 -6.5381000000e-03  2.2557000000e-03  7.6990000000e-04  1.3503000000e-03 -4.3496000000e-03 -1.0990000000e-04  4.7532000000e-03  7.7307000000e-03 -9.3430000000e-04 -1.5177000000e-03 -1.4611100000e-02 -1.4090000000e-04 -1.4213000000e-03  2.1875000000e-03 -1.8753000000e-03 -6.3050000000e-04 -1.7580000000e-03  1.3412000000e-03  1.0147000000e-02 -8.7025000000e-03  1.9595000000e-03 -5.9517000000e-03  3.7327000000e-03 -7.9564000000e-03 -2.3936000000e-03 -7.4620000000e-03 -3.6430000000e-03  3.9303000000e-03 -1.1351000000e-03  1.0379600000e-02 -4.5023000000e-03  7.7354000000e-03  7.1067000000e-03  1.6221000000e-03 -8.4146000000e-03 -1.2984700000e-02  3.8183000000e-03  1.1205000000e-03  6.1962000000e-03 -7.9844000000e-03  5.9450000000e-03  5.2594000000e-03 -1.3471400000e-02 -2.7736000000e-03 -1.7258000000e-03  1.0346600000e-02  2.2454800000e-02 -1.1211200000e-02  1.2592200000e-02 -9.4955000000e-03 -2.7221600000e-02 -5.1795000000e-03  5.1809000000e-03  2.6717500000e-02  6.4910000000e-03 -3.2665000000e-03 -6.5023000000e-03 -8.9710000000e-04  4.4956000000e-03 -8.6194000000e-03  1.5824300000e-02 -6.4746000000e-03  1.5499500000e-02  6.3990000000e-04  2.8884000000e-03  6.2130000000e-03 -1.4350700000e-02 -9.2753000000e-03  9.8025000000e-03  4.6786000000e-03 -2.1685000000e-03 -5.3566000000e-03 -5.5485000000e-03 -8.5634000000e-03 -1.2084000000e-02  7.0680000000e-04  1.1354500000e-02 -4.3889000000e-03  1.3269900000e-02 -3.4966000000e-03 -5.0498000000e-03  4.6567000000e-03 -2.5049000000e-03  4.7234000000e-03 -1.6143000000e-02 -1.2292000000e-03 -1.1113000000e-03  9.8490000000e-04 -1.1027000000e-03 -8.5650000000e-04 -1.5851000000e-03  7.6505000000e-03  6.1069000000e-03 -1.1424000000e-03 -4.7013000000e-03

JOB 98
COORDS  -1.3558800000e+00  7.8874000000e-01 -2.9174200000e+00 -7.8991000000e-01  1.5103900000e+00 -2.6433300000e+00 -2.1159900000e+00  1.2163800000e+00 -3.3118700000e+00 -2.9151600000e+00 -2.5710600000e+00  1.6266400000e+00 -3.2172400000e+00 -1.9528800000e+00  9.6119000000e-01 -2.5485200000e+00 -2.0195400000e+00  2.3177500000e+00 -7.0847000000e-01  4.1030900000e+00 -2.9477600000e+00  3.0950000000e-02  3.7617200000e+00 -2.4448100000e+00 -6.9943000000e-01  5.0451400000e+00 -2.7783700000e+00  2.8744000000e+00  7.6291000000e-01 -1.8578000000e+00  3.3585900000e+00  4.9533000000e-01 -1.0766500000e+00  2.1110800000e+00  1.8565000000e-01 -1.8764800000e+00 -7.7629000000e-01 -8.5023000000e-01  3.0888000000e+00  1.0961000000e-01 -1.1162500000e+00  2.8425200000e+00 -1.1573800000e+00 -5.0741000000e-01  2.2804300000e+00 -1.9420800000e+00  2.4637000000e-01  8.1862000000e-01 -1.1546400000e+00  7.7701000000e-01  6.9781000000e-01 -2.6292300000e+00  7.2842000000e-01  3.5853000000e-01  2.2052200000e+00 -3.6293000000e-01  9.9251000000e-01  1.7615700000e+00 -5.5619000000e-01  1.6665000000e-01  2.0966300000e+00 -1.1576000000e+00  1.5149500000e+00  1.4480700000e+00 -2.5397900000e+00  2.2306600000e+00  7.1478000000e-01 -3.0957800000e+00  1.9672300000e+00  2.0418300000e+00 -3.1297500000e+00  2.6950200000e+00 -6.8489000000e-01 -3.1643400000e+00  6.8900000000e-02 -1.2881000000e+00 -2.9645700000e+00  7.8477000000e-01 -8.5271000000e-01 -4.0840000000e+00 -1.3676000000e-01  9.3369000000e-01  2.7117700000e+00 -1.2355700000e+00  6.3230000000e-01  2.2984000000e+00 -4.2654000000e-01  1.7348300000e+00  2.2395700000e+00 -1.4623400000e+00  7.1181000000e-01 -7.7459000000e-01 -1.1584100000e+00  2.4152000000e-01 -1.5328900000e+00 -8.1194000000e-01  3.6720000000e-02 -2.4921000000e-01 -1.5878900000e+00  2.5400000000e-01  1.7123900000e+00  1.1991600000e+00  8.1045000000e-01  9.6672000000e-01  1.4240300000e+00  8.0900000000e-02  2.1436400000e+00  2.0359900000e+00
ENERGY -9.171792141776e+02
EMD0 -3.457731040000e+02
FORCES  -1.9457000000e-03  2.2272000000e-03 -6.9902000000e-03 -5.5568000000e-03 -9.4170000000e-03  7.5210000000e-04  1.7039000000e-03  1.2123000000e-03  2.1024000000e-03 -5.3736000000e-03  1.5818000000e-03  3.5038000000e-03  2.5181000000e-03 -1.2967000000e-03  3.1412000000e-03 -1.9802000000e-03 -1.3185000000e-03 -1.0362300000e-02  5.9461000000e-03 -5.7660000000e-03  4.6951000000e-03 -7.7616000000e-03  1.0813500000e-02 -9.5671000000e-03  3.9717000000e-03 -2.1438000000e-03  2.8374000000e-03 -1.8073000000e-03 -8.7093000000e-03 -5.6390000000e-04 -4.2804000000e-03 -9.9960000000e-04 -3.2453000000e-03  8.8980000000e-04  9.6747000000e-03  4.3737000000e-03  3.1640000000e-04  3.1939000000e-03  4.8330000000e-04 -7.6927000000e-03  5.9076000000e-03 -5.9770000000e-03  9.9154000000e-03 -8.8923000000e-03  3.3096000000e-03  1.2778600000e-02  7.4753000000e-03  5.5570000000e-03 -1.2616000000e-02 -9.8904000000e-03 -7.4380000000e-04  4.7980000000e-03  2.5663000000e-03 -3.7860000000e-04 -1.3551000000e-03 -1.6687900000e-02 -8.2530000000e-03  3.7685000000e-03 -2.3067000000e-03  1.0333000000e-02 -2.4404000000e-03  5.3701000000e-03 -3.6667000000e-03  6.8100000000e-05  1.2654300000e-02 -9.8492000000e-03  6.0605000000e-03 -9.3260000000e-04  1.0953100000e-02 -4.9773000000e-03 -2.8739000000e-03 -4.2142000000e-03 -1.6104200000e-02  2.1656000000e-03 -5.4280000000e-04  1.8435300000e-02 -6.1973000000e-03 -5.5749000000e-03 -1.6137000000e-03  7.4800000000e-04  6.2059000000e-03  7.3765000000e-03 -8.1370000000e-04  1.0865300000e-02  4.1117000000e-03 -5.7547000000e-03 -1.1740600000e-02 -1.4402400000e-02  3.3734000000e-03  7.4002000000e-03  5.2263000000e-03 -2.0040000000e-03  1.8026000000e-03  4.9999000000e-03  1.6166800000e-02 -1.2039000000e-03  7.7420000000e-03 -3.9382000000e-03  6.1349000000e-03  8.3383000000e-03 -5.1130000000e-04 -5.7214000000e-03 -2.2349800000e-02  1.1783100000e-02  3.6167000000e-03  3.2921000000e-03 -6.4600000000e-03  5.2740000000e-04

JOB 99
COORDS  -1.7840200000e+00  1.2308300000e+00 -2.4926300000e+00 -2.3030500000e+00  9.1217000000e-01 -3.2310600000e+00 -8.9861000000e-01  1.3241400000e+00 -2.8441600000e+00 -2.7800300000e+00 -1.0586900000e+00  1.3235900000e+00 -1.9600100000e+00 -1.4152500000e+00  1.6651700000e+00 -3.1764200000e+00 -6.1037000000e-01  2.0706600000e+00  7.8672000000e-01  1.8356100000e+00 -3.5608200000e+00  1.0323600000e+00  2.2896700000e+00 -2.7547600000e+00  5.4219000000e-01  2.5359300000e+00 -4.1657900000e+00  3.3208400000e+00  8.6016000000e-01  5.8434000000e-01  3.1389500000e+00  1.1050300000e+00  1.4916400000e+00  3.0262300000e+00  1.6113200000e+00  6.9370000000e-02  1.4337100000e+00 -3.3638100000e+00  4.0763500000e+00  1.5798900000e+00 -4.0064100000e+00  4.7705600000e+00  2.3127400000e+00 -3.1149400000e+00  3.7907100000e+00 -2.2190900000e+00  1.7138200000e+00  5.3058000000e-01 -2.6738700000e+00  8.7553000000e-01  6.1234000000e-01 -2.4111500000e+00  2.0051000000e+00 -3.6077000000e-01  8.5368000000e-01 -1.7392000000e-01 -2.8873000000e-01  1.7509400000e+00 -1.8107000000e-01  4.4600000000e-02  3.3815000000e-01 -5.9215000000e-01  4.0086000000e-01 -1.7480000000e-01 -2.1322400000e+00  2.0975000000e+00  1.6992000000e-01 -2.6733900000e+00  1.3871900000e+00  1.9281000000e-01 -2.5175700000e+00  2.8928700000e+00  5.1324000000e-01 -3.3578500000e+00 -6.4210000000e-02  7.2952000000e-01 -2.5326600000e+00 -4.9839000000e-01 -3.0190000000e-01 -3.6406700000e+00 -4.7869000000e-01  1.7347700000e+00  3.3552700000e+00 -1.4489600000e+00  1.1606000000e+00  3.1954200000e+00 -6.9995000000e-01  1.2590300000e+00  3.9898200000e+00 -1.9849100000e+00 -2.0026700000e+00 -1.4164200000e+00 -1.4349400000e+00 -2.3011300000e+00 -1.3444000000e+00 -5.2831000000e-01 -1.9268100000e+00 -5.1073000000e-01 -1.7352800000e+00  3.6121000000e-01  2.4594000000e+00  6.3046000000e-01  6.1203000000e-01  1.7239500000e+00  7.1500000000e-02 -5.7037000000e-01  2.3229300000e+00  8.0296000000e-01
ENERGY -9.171631299472e+02
EMD0 -3.141225830000e+02
FORCES   1.4897800000e-02  2.5580000000e-03 -2.6456000000e-03  5.3240000000e-03 -1.9096000000e-03  1.9036000000e-03 -1.8890900000e-02 -2.1090000000e-04  2.6440000000e-03  6.6240000000e-03 -8.5898000000e-03  2.8880000000e-04 -1.7805000000e-02  9.0969000000e-03 -4.7643000000e-03  6.0905000000e-03  1.1947000000e-03 -1.3386000000e-03  1.7865800000e-02  8.5110000000e-04  7.1459000000e-03 -1.7995400000e-02  3.3802000000e-03 -1.3359600000e-02 -1.2450000000e-03  1.5837000000e-03  7.8672000000e-03  4.9569000000e-03  2.3560000000e-03 -1.4496000000e-03 -8.6330000000e-04  2.9610000000e-04 -4.2111000000e-03 -4.0303000000e-03 -5.0172000000e-03  6.5821000000e-03 -5.8690000000e-03  1.9010000000e-04 -1.4715000000e-03  6.8122000000e-03  2.4138000000e-03 -2.1682000000e-03 -1.4580000000e-03 -3.6640000000e-03  4.3482000000e-03  6.8896000000e-03 -6.9335000000e-03  1.6451000000e-03 -4.9117000000e-03  1.0659100000e-02 -4.4126000000e-03 -2.6792000000e-03 -2.0881000000e-03  7.6227000000e-03  4.1061000000e-03  4.3743000000e-03  3.2332000000e-03 -1.4568500000e-02 -2.5995000000e-03 -1.1345000000e-03  9.0572000000e-03 -1.7409000000e-03 -5.4543000000e-03  9.2913000000e-03 -1.7026500000e-02 -8.2516000000e-03 -2.1200000000e-05  1.2833600000e-02  1.2602800000e-02  4.1970000000e-04 -3.7500000000e-04 -1.1363200000e-02 -1.4434000000e-03  2.1129000000e-03  3.6669000000e-03 -4.2457000000e-03 -5.8724000000e-03  1.0379000000e-02  3.4770000000e-03  2.0929000000e-03  2.0776000000e-03 -9.9700000000e-04 -1.8090000000e-04  1.9449700000e-02  8.4429000000e-03 -4.6539000000e-03 -2.0668700000e-02 -5.7596000000e-03 -1.0680000000e-02 -1.7130000000e-03 -1.2922000000e-03  8.3648000000e-03 -2.3265000000e-03  6.9771000000e-03  2.6168000000e-03 -5.0451000000e-03 -7.6255000000e-03 -8.0235000000e-03  4.1316000000e-03 -1.6644400000e-02 -1.2933600000e-02  2.5261000000e-03  4.6318000000e-03  2.1933500000e-02 -3.0471000000e-03  1.2481600000e-02  3.5907000000e-03 -3.2893000000e-03

JOB 100
COORDS  -2.5693000000e+00  3.9000000000e-04 -3.4837600000e+00 -2.5619400000e+00  1.0238000000e-01 -4.4354800000e+00 -1.7873000000e+00  4.6552000000e-01 -3.1865000000e+00 -1.1384500000e+00 -1.0108300000e+00  2.1251200000e+00 -2.0555000000e-01 -1.1140400000e+00  2.3129400000e+00 -1.3010100000e+00 -1.5979500000e+00  1.3868200000e+00 -3.6263000000e-01  7.2154000000e-01 -1.8395200000e+00  3.2089000000e-01  1.3816400000e+00 -1.9548300000e+00  1.1455000000e-01 -9.2300000000e-02 -1.6776700000e+00  2.1617000000e-01  1.2645100000e+00  3.6602900000e+00 -5.5365000000e-01  1.4443300000e+00  3.1205900000e+00  1.1326000000e-01  1.8342500000e+00  4.4225400000e+00  1.7336800000e+00 -1.9438000000e+00  2.0169700000e+00  2.2324000000e+00 -1.2154900000e+00  1.6467200000e+00  2.0860700000e+00 -2.0514000000e+00  2.9004100000e+00 -1.1010400000e+00  1.4117000000e+00  1.0630200000e+00 -1.0385900000e+00  5.5950000000e-01  1.4943800000e+00 -7.7814000000e-01  1.2557000000e+00  1.7553000000e-01  2.7085600000e+00  1.5034000000e-01  4.8570000000e-01  1.9419300000e+00 -2.4610000000e-02 -6.0110000000e-02  3.4540400000e+00  3.4900000000e-02 -1.0351000000e-01  8.5205000000e-01 -1.4634200000e+00 -6.6936000000e-01  2.7329000000e-01 -2.1562100000e+00 -9.8764000000e-01  1.0507800000e+00 -1.7125300000e+00  2.3324000000e-01 -8.8932000000e-01 -3.2609700000e+00 -1.5803100000e+00 -1.5068000000e+00 -3.7392900000e+00 -2.1336300000e+00 -1.3965700000e+00 -2.5270400000e+00 -1.2335200000e+00  1.7360100000e+00  2.6427800000e+00 -1.9671500000e+00  1.5588400000e+00  2.8743100000e+00 -1.0554300000e+00  2.5579700000e+00  3.0882400000e+00 -2.1725100000e+00 -2.5959900000e+00 -1.2988500000e+00 -4.2268000000e-01 -2.6809400000e+00 -6.7799000000e-01  3.0089000000e-01 -2.6223800000e+00 -7.5497000000e-01 -1.2099100000e+00  1.2961000000e+00  2.7857800000e+00  6.3038000000e-01  2.0338100000e+00  2.2907900000e+00  9.8675000000e-01  5.2075000000e-01  2.3373800000e+00  9.6803000000e-01
ENERGY -9.171696940093e+02
EMD0 -3.416248010000e+02
FORCES   1.7251000000e-03  1.5585000000e-03  2.7781000000e-03  5.6800000000e-03  3.5945000000e-03  2.1991000000e-03 -1.0185000000e-02 -3.9814000000e-03 -1.1639700000e-02  6.5080000000e-04 -2.0330000000e-04  2.4355000000e-03 -1.0839500000e-02  5.6132000000e-03 -8.6821000000e-03  2.4998000000e-03  6.0282000000e-03  2.4201000000e-03  9.0763000000e-03 -2.9276000000e-03 -3.2507000000e-03 -7.4831000000e-03 -1.1694700000e-02  9.0467000000e-03 -1.7094000000e-03  8.4531000000e-03 -5.1189000000e-03 -3.2050000000e-04 -7.4800000000e-04 -2.4272000000e-03  1.5563000000e-03 -1.8952000000e-03  5.3815000000e-03 -3.8740000000e-03  5.6350000000e-04 -3.6659000000e-03  7.2875000000e-03  5.6090000000e-04 -5.6092000000e-03 -1.1897800000e-02 -1.3240500000e-02  5.0386000000e-03  3.5143000000e-03  5.5017000000e-03 -3.0160000000e-03 -4.9596000000e-03 -1.5526900000e-02  2.5748000000e-03  6.3923000000e-03  1.5606800000e-02 -5.8401000000e-03  6.2088000000e-03  1.7663000000e-03  1.7255800000e-02 -4.6596000000e-03 -1.2574000000e-03 -5.9272000000e-03  6.1771000000e-03 -3.8730000000e-03  9.3072000000e-03 -3.6168000000e-03 -2.3140000000e-04 -7.3590000000e-04 -2.0704000000e-03 -7.6769000000e-03 -6.4938000000e-03 -6.3000000000e-03  1.1576800000e-02  1.3507800000e-02 -6.3320000000e-04  7.9680000000e-03 -4.9767000000e-03  2.2968000000e-03  1.0894000000e-03  1.7590000000e-03 -4.6285000000e-03  3.9949000000e-03  2.8265000000e-03  1.6566600000e-02 -3.9986000000e-03 -8.4898000000e-03 -5.6274000000e-03  1.9180000000e-03  1.3513700000e-02  7.5901000000e-03 -1.7156000000e-03 -2.0278400000e-02  1.5920000000e-04  2.0600000000e-03  8.0905000000e-03 -4.0787000000e-03  7.0650000000e-04  6.9790000000e-04  2.6477000000e-03 -2.5036000000e-03 -3.8463000000e-03  3.4968000000e-03 -3.8267000000e-03  1.0355300000e-02 -1.0185200000e-02 -4.7260000000e-03  2.6160000000e-04 -4.8350000000e-03  2.9205000000e-03 -1.5394000000e-03  1.4378200000e-02 -1.4542000000e-03 -7.9126000000e-03

JOB 101
COORDS  -2.8632300000e+00  9.9480000000e-02 -2.4668500000e+00 -3.1404000000e+00  5.3668000000e-01 -3.2720100000e+00 -2.0716100000e+00  5.6691000000e-01 -2.2002500000e+00 -2.5645000000e+00 -2.4282400000e+00  1.6434300000e+00 -2.8974100000e+00 -2.6834300000e+00  2.5038300000e+00 -1.9039400000e+00 -1.7610600000e+00  1.8299200000e+00 -3.4207000000e-01  1.4975400000e+00 -1.6362700000e+00  3.3720000000e-01  2.0936100000e+00 -1.9517300000e+00  1.3471000000e-01  7.1449000000e-01 -1.3610400000e+00  1.1987600000e+00 -2.9661000000e-01  4.1998300000e+00  7.6872000000e-01 -9.2869000000e-01  4.7758300000e+00  2.1215700000e+00 -5.5061000000e-01  4.2112600000e+00 -8.6543000000e-01 -2.7885000000e-01  2.2248100000e+00 -8.6447000000e-01  5.8434000000e-01  1.8111200000e+00 -1.8562000000e-01 -2.2384000000e-01  2.8964300000e+00 -6.8965000000e-01  2.3428000000e+00  1.0802900000e+00 -1.4802600000e+00  2.7494200000e+00  1.4350200000e+00 -9.3551000000e-01  2.0713300000e+00  1.9594000000e-01  2.9669600000e+00  2.5664000000e-01 -1.0185700000e+00  2.1857300000e+00 -1.8225000000e-01 -6.8200000000e-01  3.0121700000e+00 -5.5600000000e-03 -1.9380500000e+00  6.8350000000e-01 -8.0905000000e-01 -1.1212000000e-01  7.8253000000e-01 -1.7484200000e+00 -2.6705000000e-01  1.4118000000e-01 -7.5141000000e-01  6.7452000000e-01  4.9861000000e-01 -3.4293000000e+00 -1.0334300000e+00 -4.3112000000e-01 -3.2324900000e+00 -1.1479200000e+00  7.2483000000e-01 -3.9686300000e+00 -1.7911700000e+00  2.1047900000e+00  3.1481100000e+00 -2.4028000000e+00  2.2837700000e+00  3.0983500000e+00 -1.4638000000e+00  2.9112000000e+00  3.4969100000e+00 -2.7826500000e+00 -2.2539800000e+00 -2.7935900000e+00 -9.6820000000e-01 -2.6140700000e+00 -2.8621200000e+00 -8.3970000000e-02 -2.5582800000e+00 -1.9435200000e+00 -1.2860300000e+00  2.1253500000e+00  2.7224600000e+00  4.4132000000e-01  2.5114300000e+00  1.8976500000e+00  1.4658000000e-01  1.1952500000e+00  2.5257300000e+00  5.5288000000e-01
ENERGY -9.171903031878e+02
EMD0 -3.619208160000e+02
FORCES   1.8759000000e-03  2.0464000000e-03 -1.4264000000e-03  3.6056000000e-03  3.1011000000e-03  1.8584000000e-03 -9.5841000000e-03 -5.3195000000e-03 -3.2632000000e-03  5.6675000000e-03  6.3818000000e-03 -8.2605000000e-03  4.8799000000e-03  3.9078000000e-03  1.9200000000e-03 -7.8968000000e-03 -1.2591600000e-02  2.0305000000e-03  7.0209000000e-03  8.9280000000e-04 -8.7560000000e-03 -3.9228000000e-03 -1.0074600000e-02  1.0479600000e-02 -2.5641000000e-03  1.3959900000e-02 -4.0877000000e-03  4.5156000000e-03  5.8121000000e-03 -2.0293000000e-03  3.3329000000e-03 -9.3600000000e-05 -4.7860000000e-03 -4.1404000000e-03 -4.1293000000e-03  5.8870000000e-03  9.2260000000e-04  9.9529000000e-03  5.4265000000e-03  4.2082000000e-03 -1.5615800000e-02  2.5113000000e-03 -1.1517400000e-02  1.5785000000e-03 -7.8566000000e-03  7.7846000000e-03  9.3550000000e-03 -6.1444000000e-03 -1.9426000000e-03 -6.7598000000e-03 -6.1282000000e-03 -3.4936000000e-03  1.1819000000e-03  2.0366100000e-02 -6.8610000000e-03 -5.6087000000e-03  4.5995000000e-03  8.8287000000e-03  6.2402000000e-03 -1.1749700000e-02 -4.5946000000e-03 -5.1138000000e-03  2.8328000000e-03  2.7480000000e-04 -7.1504000000e-03  3.7225000000e-03 -2.2101000000e-03  1.5616800000e-02  1.1958000000e-02  4.5294000000e-03 -5.0227000000e-03 -1.1573200000e-02 -9.3926000000e-03  6.1640000000e-04  2.4828000000e-03  2.2795400000e-02 -3.2310000000e-03 -4.6665000000e-03 -6.5246000000e-03  3.3130000000e-04 -1.1463000000e-03  1.0791000000e-03  2.4880000000e-04  5.6885000000e-03  1.5399000000e-03 -1.2053000000e-03 -1.6483300000e-02  1.9265000000e-03  2.1750000000e-04  6.6065000000e-03 -5.7604000000e-03 -5.8430000000e-04  1.0979800000e-02 -1.1566000000e-03  4.0249000000e-03 -1.2681900000e-02  1.1833000000e-03 -4.9744000000e-03  1.0120200000e-02 -1.9088000000e-03  1.5900000000e-05  9.2026000000e-03 -1.0768300000e-02  8.9470000000e-03  1.2041000000e-03  8.2681000000e-03 -6.9539000000e-03 -8.8376000000e-03

JOB 102
COORDS  -2.3838800000e+00 -4.4134000000e-01 -5.1208000000e-01 -2.8166200000e+00  5.9150000000e-02  1.7964000000e-01 -1.5738900000e+00  3.8590000000e-02 -6.8470000000e-01 -3.1909700000e+00  3.8121000000e-01  2.2078500000e+00 -3.7376400000e+00  1.1057100000e+00  2.5119800000e+00 -2.2969000000e+00  7.2021000000e-01  2.2520400000e+00 -2.8618000000e-01  1.8498900000e+00 -3.0815000000e-01  4.7000000000e-02  2.2845300000e+00 -1.0932000000e+00  2.6650000000e-01  1.0745200000e+00 -2.1025000000e-01 -2.1892900000e+00 -2.3531200000e+00  2.2592200000e+00 -2.9985500000e+00 -1.8454700000e+00  2.1989500000e+00 -2.3101500000e+00 -3.0719400000e+00  1.6387900000e+00  1.6597000000e-01 -1.0824800000e+00  2.9138300000e+00 -5.9957000000e-01 -1.4564000000e+00  2.4775200000e+00  1.1398000000e-01 -1.4096000000e+00  3.8118900000e+00 -8.7504000000e-01  1.5404800000e+00  2.6918700000e+00 -1.9192000000e-01  8.7160000000e-01  2.7386000000e+00 -6.6334000000e-01  2.0452600000e+00  1.9066200000e+00  3.3053300000e+00  1.5718900000e+00 -1.1158000000e+00  2.7362700000e+00  9.7537000000e-01 -6.2942000000e-01  2.7811100000e+00  2.3647400000e+00 -1.2290400000e+00  1.4418900000e+00 -4.9370000000e-02  3.8631000000e-01  1.5830100000e+00 -8.9685000000e-01 -3.5700000000e-02  1.1652400000e+00 -2.6756000000e-01  1.2763100000e+00  1.3803600000e+00 -2.4626300000e+00 -9.9761000000e-01  6.4073000000e-01 -2.5892700000e+00 -1.5918700000e+00  2.0750600000e+00 -3.0135700000e+00 -1.3582900000e+00  1.1044200000e+00  2.9167600000e+00 -2.4219400000e+00  1.6250200000e+00  2.4371500000e+00 -3.0662900000e+00  4.8055000000e-01  3.4206500000e+00 -2.9445400000e+00 -1.2376400000e+00 -2.9057200000e+00 -1.4436000000e+00 -9.8184000000e-01 -3.1148000000e+00 -5.4522000000e-01 -1.6373000000e+00 -2.0380200000e+00 -1.3835700000e+00  2.7536800000e+00  1.0268800000e+00 -3.6260700000e+00  2.8647300000e+00  1.2808000000e+00 -2.7098700000e+00  3.6224300000e+00  1.1369300000e+00 -4.0125900000e+00
ENERGY -9.171844732639e+02
EMD0 -3.442958050000e+02
FORCES  -7.7808000000e-03  6.4833000000e-03  7.5796000000e-03  8.3614000000e-03  1.0355000000e-03 -9.2744000000e-03 -2.4161000000e-03 -1.0254400000e-02  1.4012000000e-03  2.0308900000e-02  8.7191000000e-03  1.1293400000e-02  3.5242000000e-03  1.9505000000e-03 -1.1969000000e-03 -1.7966400000e-02 -6.0502000000e-03 -1.0066400000e-02  1.7360300000e-02 -1.9010000000e-04 -6.5037000000e-03 -3.8498000000e-03 -6.3453000000e-03  5.1591000000e-03 -1.1068800000e-02  7.8781000000e-03 -5.6761000000e-03 -1.0554000000e-03  7.2297000000e-03  3.0561000000e-03  1.4391000000e-03 -1.4521100000e-02 -3.0012000000e-03 -2.9861000000e-03  3.1090000000e-03  2.7190000000e-04 -1.0957400000e-02 -8.9143000000e-03  9.8930000000e-04  1.4927300000e-02  7.6823000000e-03  5.3853000000e-03 -3.8811000000e-03 -1.2609000000e-03 -1.5936000000e-03 -1.4591000000e-03 -5.0103000000e-03  5.2329000000e-03 -2.4628000000e-03  1.0979600000e-02 -8.7673000000e-03 -6.4000000000e-04 -8.6358000000e-03  9.0149000000e-03  1.2686000000e-03 -5.0344000000e-03  6.8328000000e-03  2.4349000000e-03  7.5382000000e-03 -1.3788700000e-02  1.8680000000e-04 -1.2096000000e-02 -1.0124900000e-02 -2.3111000000e-03 -4.1414000000e-03  3.3000000000e-04  1.4041000000e-03  1.5268400000e-02  1.2107500000e-02 -1.6470000000e-03  7.8620000000e-04 -1.2161000000e-02 -1.3998400000e-02  1.5778000000e-03 -1.3648000000e-03  1.6370700000e-02 -2.4741000000e-03  3.4456000000e-03 -6.0504000000e-03 -1.4215000000e-03 -3.5919000000e-03  6.1554000000e-03 -9.3106000000e-03 -6.5600000000e-05 -3.0662000000e-03  1.0676200000e-02  1.2361700000e-02  1.4945000000e-03 -5.6326000000e-03 -1.5903000000e-03 -8.8774000000e-03  4.3727000000e-03  2.1412000000e-03  1.6820000000e-03  2.5307000000e-03 -3.0565000000e-03  1.3021300000e-02 -6.5800000000e-03 -1.4198000000e-03  6.9998000000e-03 -5.5564000000e-03  2.0346100000e-02 -1.4132400000e-02  1.3662000000e-02 -1.7626400000e-02 -3.3300000000e-04  1.9504000000e-03  3.9210000000e-03

JOB 103
COORDS  -2.7179000000e+00 -7.1562000000e-01  1.4122000000e-01 -3.4521300000e+00 -1.0934000000e-01  2.3902000000e-01 -1.9503500000e+00 -1.5065000000e-01  5.2320000000e-02 -4.6227100000e+00  1.4071200000e+00  8.9484000000e-01 -5.3463700000e+00  1.0018600000e+00  1.3726600000e+00 -3.9237800000e+00  1.4906800000e+00  1.5434800000e+00 -2.0903000000e-01  6.9117000000e-01  6.3570000000e-02  1.4363000000e-01  1.3982900000e+00 -4.7664000000e-01  5.6182000000e-01  2.0326000000e-01  3.5337000000e-01 -1.6936800000e+00 -5.4812000000e-01  2.8493100000e+00 -2.0927000000e+00  3.0948000000e-01  2.9960700000e+00 -2.2350500000e+00 -9.5178000000e-01  2.1709300000e+00  6.9347000000e-01 -2.1468000000e+00  2.8597000000e+00 -1.2926000000e-01 -1.6630700000e+00  2.7865700000e+00  6.3706000000e-01 -2.5896200000e+00  3.7064300000e+00 -2.4143800000e+00  2.1734100000e+00  2.5656300000e+00 -2.2714600000e+00  2.9837000000e+00  3.0547400000e+00 -1.5601700000e+00  1.9688700000e+00  2.1852200000e+00  3.1680000000e+00  1.4998000000e-01 -1.1608700000e+00  3.3458900000e+00 -5.7184000000e-01 -1.7638300000e+00  2.7587500000e+00 -2.6630000000e-01 -4.0228000000e-01  1.6279200000e+00 -1.3144600000e+00  4.2248000000e-01  1.2002000000e+00 -1.9308400000e+00 -1.7195000000e-01  1.5554700000e+00 -1.7232700000e+00  1.2849600000e+00  3.2584700000e+00 -2.1318200000e+00 -2.6247600000e+00  2.5891000000e+00 -2.6236200000e+00 -2.1490400000e+00  3.7071600000e+00 -2.7894600000e+00 -3.1561900000e+00  7.3064000000e-01  3.1957600000e+00 -9.2993000000e-01  1.2007200000e+00  2.7498300000e+00 -1.6345000000e+00  1.4151100000e+00  3.6352400000e+00 -4.2538000000e-01  3.3852000000e-01 -2.5052900000e+00 -1.5482000000e+00 -2.3380000000e-01 -3.2722300000e+00 -1.5260500000e+00 -2.4607000000e-01 -1.7648500000e+00 -1.3862300000e+00  1.8583900000e+00  1.8718900000e+00 -3.6301900000e+00  1.7272800000e+00  1.1149600000e+00 -4.2012500000e+00  2.3314100000e+00  1.5233600000e+00 -2.8745400000e+00
ENERGY -9.171670356509e+02
EMD0 -3.196964630000e+02
FORCES   7.2160000000e-04  7.9773000000e-03 -8.0948000000e-03  1.2237100000e-02 -4.4020000000e-03  5.7492000000e-03 -1.5972200000e-02 -5.7295000000e-03  3.3686000000e-03  1.4914000000e-03  1.2079000000e-02  1.1050000000e-04  6.1825000000e-03 -2.4050000000e-04  2.6851000000e-03 -8.9906000000e-03 -1.4092000000e-02 -5.3443000000e-03  1.0445400000e-02  2.3850000000e-04  1.0980000000e-04  5.1424000000e-03 -1.3386000000e-02  5.6570000000e-04 -5.0846000000e-03  1.3770800000e-02 -5.6425000000e-03 -2.0565000000e-03  8.8653000000e-03 -5.0351000000e-03 -4.7030000000e-04 -4.6849000000e-03 -6.9832000000e-03  2.7815000000e-03  4.4187000000e-03  1.2417200000e-02 -2.0445000000e-03  6.8112000000e-03 -1.0952000000e-03  9.2873000000e-03 -1.3982600000e-02  5.0210000000e-04 -5.8406000000e-03  2.2520000000e-03  1.1500000000e-04 -5.1606000000e-03  2.8155000000e-03 -3.6285000000e-03  7.3381000000e-03 -2.5042000000e-03 -2.1383000000e-03 -6.1023000000e-03  1.6184000000e-03  1.2308900000e-02 -1.2997000000e-03 -1.9690300000e-02  8.8842000000e-03 -5.4812000000e-03  4.6171000000e-03  5.3143000000e-03  3.5681000000e-03  2.8779000000e-03 -6.9830000000e-03 -3.5902000000e-03 -2.9504000000e-03 -8.0007000000e-03 -9.3500000000e-05  5.2904000000e-03  9.4955000000e-03 -2.0970000000e-03  2.7940000000e-04 -1.6738300000e-02  4.8900000000e-04  9.9429000000e-03  3.3554000000e-03  9.3709000000e-03 -3.2567000000e-03 -3.3736000000e-03 -6.2476000000e-03 -3.9880000000e-03  3.1510000000e-03 -3.3076000000e-03  4.5451000000e-03 -2.1789000000e-03  1.2134000000e-03 -2.4937000000e-03  1.2985600000e-02  1.0332000000e-03 -2.1704000000e-03 -4.0752000000e-03  4.1346000000e-03  5.5096000000e-03 -1.1130000000e-04 -9.8810000000e-04  4.7102000000e-03  7.3400000000e-04  4.1108000000e-03 -1.0186100000e-02  4.8894000000e-03  1.7370000000e-03 -1.2622000000e-03 -2.2242000000e-03  2.6930000000e-03 -4.0300000000e-05  2.3216000000e-03 -9.1506000000e-03  6.4407000000e-03 -7.4162000000e-03

JOB 104
COORDS  -1.9323900000e+00 -5.0763000000e-01 -1.4029000000e-01 -2.8203300000e+00 -2.3352000000e-01  8.9190000000e-02 -1.4549500000e+00  3.1143000000e-01 -2.7229000000e-01 -4.3682600000e+00  4.3995000000e-01  1.2821400000e+00 -4.9904200000e+00  1.1634300000e+00  1.2064100000e+00 -3.5699000000e+00  8.4451000000e-01  1.6215200000e+00 -2.7953000000e-01  1.6777700000e+00 -3.9020000000e-01 -5.0824000000e-01  2.1820700000e+00 -1.1709800000e+00  6.5516000000e-01  1.8412100000e+00 -2.6421000000e-01 -1.6034300000e+00 -1.0218800000e+00  2.6167400000e+00 -1.4355400000e+00 -8.6025000000e-01  1.6883400000e+00 -2.4498600000e+00 -1.4685500000e+00  2.6333300000e+00  1.1008500000e+00 -3.4523000000e-01  2.9780400000e+00  1.5699000000e-01 -5.0250000000e-01  2.9531200000e+00  1.2114200000e+00  5.1577000000e-01  2.5747100000e+00 -1.8573800000e+00  1.6909700000e+00  2.0525700000e+00 -1.8398200000e+00  7.9413000000e-01  2.3866300000e+00 -1.1609500000e+00  1.7163300000e+00  1.3963800000e+00  2.6184000000e+00 -1.2294400000e+00 -8.5147000000e-01  2.5872900000e+00 -1.9516800000e+00 -1.4788800000e+00  2.6259200000e+00 -1.6560500000e+00  5.3700000000e-03  2.4822400000e+00 -2.1686700000e+00  1.5643900000e+00  2.6251200000e+00 -2.9357500000e+00  2.1188300000e+00  2.0310300000e+00 -1.5433400000e+00  2.1315000000e+00  2.1114400000e+00 -2.8152700000e+00 -2.9263800000e+00  1.8039600000e+00 -3.7043300000e+00 -2.7495500000e+00  1.3359500000e+00 -2.3515200000e+00 -3.2422500000e+00 -8.8877000000e-01  3.5584500000e+00 -2.4691800000e+00 -1.7900000000e-02  3.9381200000e+00 -2.5860600000e+00 -1.0443100000e+00  3.0627200000e+00 -3.2731100000e+00  3.1146000000e-01 -6.8303000000e-01 -2.6365800000e+00 -4.4014000000e-01 -6.1715000000e-01 -2.0475100000e+00  1.0728200000e+00 -5.6782000000e-01 -2.0680000000e+00  2.3171500000e+00  1.4003100000e+00 -1.0261500000e+00  3.1076300000e+00  1.6271200000e+00 -1.5159700000e+00  2.3457900000e+00  4.4637000000e-01 -9.5266000000e-01
ENERGY -9.171790631359e+02
EMD0 -3.394574870000e+02
FORCES  -2.1821000000e-03  5.4530000000e-03 -8.0765000000e-03  1.5046600000e-02  3.6843000000e-03  4.5187000000e-03 -1.3324500000e-02 -9.2920000000e-03  4.2531000000e-03  3.8200000000e-04  5.0477000000e-03  3.9349000000e-03  3.4589000000e-03  1.2128000000e-03  2.0282000000e-03 -6.6004000000e-03 -1.1750800000e-02 -5.1305000000e-03  9.4833000000e-03  4.5483000000e-03 -1.2960800000e-02  7.4150000000e-03 -1.0971900000e-02  6.4785000000e-03 -1.3051300000e-02  5.1628000000e-03  4.6242000000e-03 -7.5400000000e-05 -5.8056000000e-03 -5.9823000000e-03  2.0700000000e-05  1.1560600000e-02  2.3214100000e-02  1.4042000000e-03  3.5455000000e-03 -5.4179000000e-03 -3.4630000000e-03 -7.1804000000e-03  4.7894000000e-03  8.9601000000e-03  1.0433600000e-02 -9.3609000000e-03 -6.1506000000e-03 -3.8569000000e-03 -1.4832000000e-03  5.9723000000e-03 -4.6230000000e-04 -1.2417000000e-03 -2.5940000000e-03  4.2147000000e-03 -1.6874000000e-02 -2.3082000000e-03 -1.0571300000e-02  1.2984600000e-02  1.7410000000e-04 -1.0493500000e-02  6.4264000000e-03 -9.5500000000e-04  4.1677000000e-03  1.6970000000e-02 -2.6050000000e-04  2.8130000000e-04 -1.7884900000e-02 -6.3105000000e-03  1.5972800000e-02 -5.0387000000e-03 -3.8207000000e-03  3.7751000000e-03  5.1274000000e-03  1.0238300000e-02 -1.5462200000e-02 -6.4883000000e-03 -2.2039000000e-03  1.2344900000e-02  1.7722000000e-03 -3.2340000000e-03  4.1479000000e-03 -1.3110000000e-04  7.6565000000e-03 -1.1942800000e-02  1.3655000000e-03 -4.3366000000e-03  7.1528000000e-03  2.5180000000e-04 -2.5086000000e-03 -5.2973000000e-03 -2.5188000000e-03  4.7435000000e-03  1.7233000000e-03  3.4528000000e-03  2.6548000000e-03  1.4458000000e-03  6.1846000000e-03  5.8932000000e-03  2.7028000000e-03 -7.2370000000e-04 -4.4206000000e-03 -1.6145000000e-03 -4.8349000000e-03 -6.1580000000e-04 -1.9253400000e-02  2.2802000000e-03 -2.6990000000e-04 -4.0221000000e-03 -1.7521000000e-03 -4.8178000000e-03  1.9399200000e-02 -4.7564000000e-03

JOB 105
COORDS  -1.0023800000e+00 -3.7817000000e-01  2.4110000000e-02 -1.5037900000e+00 -8.0430000000e-02  7.8317000000e-01 -1.3052300000e+00  1.7536000000e-01 -6.9569000000e-01 -1.9476200000e+00  1.0025000000e+00  2.1128900000e+00 -2.2869800000e+00  1.8134100000e+00  2.4916900000e+00 -1.0151100000e+00  1.1720000000e+00  1.9790200000e+00  4.7360000000e-01  3.6547600000e+00 -6.4956000000e-01  1.4297100000e+00  3.7004900000e+00 -6.4983000000e-01  2.6733000000e-01  2.9478000000e+00 -3.8090000000e-02 -1.7818000000e+00 -3.5194100000e+00  2.1222400000e+00 -1.7877700000e+00 -3.4757400000e+00  1.1660600000e+00 -2.0473300000e+00 -2.6440400000e+00  2.4041200000e+00  9.4404000000e-01 -3.0687100000e+00  1.6517700000e+00  2.0940000000e-02 -3.1434900000e+00  1.8936800000e+00  1.2975300000e+00 -3.9491100000e+00  1.7789500000e+00 -2.0846800000e+00  4.0756900000e+00 -1.4174700000e+00 -2.2104400000e+00  5.0244000000e+00 -1.3985600000e+00 -1.1864900000e+00  3.9465500000e+00 -1.1128200000e+00  2.1766400000e+00  3.4318000000e-01 -3.5422000000e-01  1.6882200000e+00  7.9180000000e-02 -1.1339600000e+00  2.6691700000e+00 -4.3836000000e-01 -1.0353000000e-01  3.1815100000e+00 -1.8244500000e+00  5.0857000000e-01  3.6981900000e+00 -1.6168700000e+00  1.2871400000e+00  2.3378000000e+00 -2.1186200000e+00  8.5186000000e-01  1.3440400000e+00 -8.7956000000e-01 -2.7719400000e+00  1.3522800000e+00 -1.2816200000e+00 -3.6405600000e+00  9.0491000000e-01 -1.5218300000e+00 -2.2143600000e+00 -2.2035100000e+00  1.3789500000e+00 -1.8626000000e+00 -2.3639900000e+00  2.2946900000e+00 -1.6348100000e+00 -1.3860200000e+00  1.3951600000e+00 -2.3602800000e+00 -7.0530000000e-02 -2.6885300000e+00 -1.1825800000e+00 -3.4037000000e-01 -1.8790200000e+00 -7.4886000000e-01  5.8880000000e-02 -3.3120500000e+00 -4.6795000000e-01  9.0689000000e-01  1.8753000000e+00  1.6706900000e+00  1.3401200000e+00  2.2931200000e+00  2.4149900000e+00  1.3945000000e+00  1.0629800000e+00  1.5342400000e+00
ENERGY -9.171519774490e+02
EMD0 -3.046471550000e+02
FORCES  -1.0019800000e-02  1.3522100000e-02 -1.6600000000e-05  8.5718000000e-03  1.7070000000e-03 -3.5750000000e-04  1.0211900000e-02 -7.8205000000e-03  6.9805000000e-03  5.5510000000e-04 -9.6510000000e-04 -7.3859000000e-03  7.2245000000e-03  1.0570000000e-03  1.3238000000e-03 -1.5428900000e-02 -6.5456000000e-03 -8.9300000000e-04  2.1702000000e-03 -5.6880000000e-04 -2.3105000000e-03 -8.9280000000e-04 -3.8000000000e-04  4.2115000000e-03 -5.3330000000e-03  8.7217000000e-03 -8.7806000000e-03 -1.0337100000e-02 -5.4481000000e-03  3.8508000000e-03  9.0666000000e-03  3.8213000000e-03  7.0306000000e-03  5.4431000000e-03 -2.9939000000e-03 -5.6155000000e-03 -1.1404500000e-02  4.9236000000e-03  5.6230000000e-03  1.2071800000e-02 -2.7903000000e-03 -9.8923000000e-03 -4.6945000000e-03  1.8631000000e-03 -1.1138000000e-03  6.8193000000e-03 -3.3333000000e-03 -1.9649000000e-03  6.3613000000e-03  4.1890000000e-04  2.6202000000e-03 -1.4850900000e-02 -2.1623000000e-03  1.8935000000e-03  9.5061000000e-03 -2.0072100000e-02 -5.5271000000e-03 -3.6510000000e-04 -6.8850000000e-03  7.3574000000e-03 -9.1203000000e-03  6.7431000000e-03  2.3016000000e-03 -1.2217700000e-02  6.5715000000e-03 -8.5499000000e-03 -5.8132000000e-03  1.0636000000e-03 -4.6200000000e-05  1.4059900000e-02  8.3306000000e-03 -1.0423000000e-03  2.1808000000e-03 -4.1524000000e-03  4.4420000000e-03 -2.8181000000e-03 -3.8281000000e-03  2.4085000000e-03  2.2903000000e-03  1.3918200000e-02 -4.7738000000e-03 -1.0716700000e-02  1.3296400000e-02 -1.7080000000e-03  9.0100000000e-03 -1.0850100000e-02 -1.8114000000e-03 -7.6630000000e-04 -8.9670000000e-04  8.6601000000e-03  7.4860000000e-04  8.2975000000e-03  5.7755000000e-03  1.0708700000e-02 -1.4142900000e-02 -1.1508900000e-02 -9.8075000000e-03  1.1404000000e-03  1.7321000000e-03  8.1053000000e-03 -2.8331000000e-03 -1.2747400000e-02  2.0762000000e-03 -6.4199000000e-03 -1.6617000000e-03 -2.5952000000e-03  7.6922000000e-03  2.1496000000e-02

JOB 106
COORDS  -2.9698000000e+00 -8.5007000000e-01  1.1933900000e+00 -2.2332700000e+00 -3.0188000000e-01  9.2275000000e-01 -3.4266300000e+00 -3.2923000000e-01  1.8538900000e+00 -5.1588000000e-01  3.0810000000e-01  8.4577000000e-01 -4.2812000000e-01 -4.5035000000e-01  1.4230700000e+00  2.3045000000e-01  8.6533000000e-01  1.0664700000e+00 -1.4437000000e-01  3.8116800000e+00 -9.0047000000e-01  5.0056000000e-01  4.5186000000e+00 -8.7671000000e-01 -3.8822000000e-01  3.6784100000e+00  1.5500000000e-02 -1.9029400000e+00 -3.1315900000e+00  2.0621200000e+00 -2.4915600000e+00 -2.4840600000e+00  1.6742200000e+00 -2.0541600000e+00 -3.9283700000e+00  1.5536800000e+00  3.7858000000e-01 -2.3323400000e+00  6.6984000000e-01 -3.6853000000e-01 -2.6799500000e+00  1.1568900000e+00  5.8220000000e-02 -2.2401700000e+00 -2.2744000000e-01 -1.2158500000e+00  1.9097300000e+00 -2.5635200000e+00 -1.2700500000e+00  2.2167600000e+00 -3.4685200000e+00 -8.5317000000e-01  2.6517400000e+00 -2.0796800000e+00  3.3959100000e+00  8.5354000000e-01  1.0345300000e+00  4.2968400000e+00  8.6614000000e-01  1.3576600000e+00  3.2528000000e+00 -5.1590000000e-02  7.5796000000e-01  3.2576900000e+00 -1.9342200000e+00  5.9208000000e-01  3.0328100000e+00 -1.8738100000e+00 -3.3637000000e-01  2.5915600000e+00 -2.5128200000e+00  9.6319000000e-01  2.6191100000e+00 -4.7721000000e-01 -1.5018000000e+00  3.1292700000e+00  3.2731000000e-01 -1.5951800000e+00  1.7101500000e+00 -1.8089000000e-01 -1.4547300000e+00 -3.5584000000e+00  5.9983000000e-01 -1.5003600000e+00 -2.8203100000e+00  1.2058400000e+00 -1.5651900000e+00 -3.3573200000e+00  5.7450000000e-02 -7.3772000000e-01 -5.0323000000e-01 -1.1836100000e+00 -1.7638900000e+00 -4.3340000000e-01 -7.2154000000e-01 -2.5992600000e+00 -5.3543000000e-01 -4.8819000000e-01 -1.1069300000e+00  1.0891100000e+00  2.2897800000e+00  1.7784700000e+00  1.8872800000e+00  1.8633300000e+00  1.4665600000e+00  1.0959000000e+00  2.1487200000e+00  2.7252000000e+00
ENERGY -9.171664105007e+02
EMD0 -3.065152520000e+02
FORCES   9.5116000000e-03 -1.5456000000e-03 -1.8290000000e-04 -1.0312300000e-02 -6.9723000000e-03  4.0966000000e-03  5.1114000000e-03  1.5101000000e-03 -1.2514000000e-03  1.3111600000e-02  8.2738000000e-03  4.3618000000e-03 -9.5022000000e-03  1.1206200000e-02  3.2440000000e-03  3.1700000000e-04 -1.8469600000e-02 -1.9275000000e-03 -5.8060000000e-04 -5.1154000000e-03 -3.2143000000e-03 -2.2084000000e-03 -2.3860000000e-04  5.0756000000e-03  1.1418000000e-03  6.8617000000e-03 -4.1598000000e-03 -7.8745000000e-03  1.2832600000e-02  5.1199000000e-03  7.4189000000e-03 -1.6211300000e-02 -1.9340000000e-04  4.7030000000e-04  7.8300000000e-03 -4.3212000000e-03 -6.3145000000e-03 -2.6540000000e-04 -9.5630000000e-04  6.3778000000e-03  7.5351000000e-03 -1.4732800000e-02 -4.4625000000e-03 -9.5910000000e-04  1.2000100000e-02  1.1870000000e-04  5.3337000000e-03  5.2534000000e-03  4.7987000000e-03  4.0654000000e-03  3.1266000000e-03 -7.6674000000e-03 -7.4777000000e-03 -1.0962700000e-02 -1.5394000000e-03 -1.5175100000e-02 -1.2213000000e-03  1.2510000000e-04 -3.5735000000e-03 -2.8678000000e-03  6.0537000000e-03  2.1390100000e-02  2.8510000000e-04 -7.6202000000e-03  2.9804000000e-03 -6.4130000000e-03  4.0140000000e-04 -4.7762000000e-03  7.2400000000e-03  6.5298000000e-03 -1.7263000000e-03 -4.8390000000e-03  1.4578000000e-03 -7.4183000000e-03  8.8669000000e-03 -5.9503000000e-03 -2.7620000000e-04 -5.7370000000e-04  6.8932000000e-03  6.3832000000e-03 -8.7500000000e-05  2.6217000000e-03 -1.2969000000e-03 -6.0772000000e-03 -6.2846000000e-03 -3.9644000000e-03  1.1577000000e-02  6.2962000000e-03  7.8139000000e-03 -1.2888000000e-03 -8.0680000000e-03 -7.1600000000e-04 -1.1207000000e-03  4.9078000000e-03  2.0204000000e-03  4.5266000000e-03  6.3862000000e-03 -8.4936000000e-03 -9.2660000000e-03  8.1278000000e-03  5.6510000000e-04 -2.0391000000e-03 -2.2140200000e-02  1.1622000000e-03  6.0560000000e-03  2.3464000000e-03 -3.0924000000e-03 -3.1333000000e-03

JOB 107
COORDS  -1.5936800000e+00 -1.1677800000e+00  2.6559300000e+00 -1.0002400000e+00 -4.2008000000e-01  2.7266600000e+00 -1.0620300000e+00 -1.8597600000e+00  2.2625500000e+00 -3.6619000000e-01  8.8421000000e-01  1.3710900000e+00  1.6389000000e-01  9.1960000000e-02  1.2839500000e+00  2.3676000000e-01  1.5997600000e+00  1.1694200000e+00 -5.4600000000e-01  4.2259200000e+00 -1.8155100000e+00 -5.2265000000e-01  5.0369700000e+00 -1.3076800000e+00  3.6293000000e-01  3.9261900000e+00 -1.8309700000e+00 -1.9645700000e+00 -2.7521600000e+00 -2.2031000000e-01 -2.0364400000e+00 -2.1933600000e+00 -9.9414000000e-01 -2.6255000000e+00 -2.4126200000e+00  3.8312000000e-01  3.6210000000e-02 -3.6634700000e+00  1.0895800000e+00 -6.6398000000e-01 -3.3944900000e+00  4.9492000000e-01  5.6140000000e-02 -4.6179800000e+00  1.0206500000e+00 -2.8483500000e+00  2.5497300000e+00 -2.1265900000e+00 -3.5316100000e+00  2.8766500000e+00 -1.5413400000e+00 -2.2170300000e+00  3.2670200000e+00 -2.1827200000e+00  3.8278800000e+00  3.6787000000e-01  1.4694300000e+00  4.4503100000e+00  2.0057000000e-01  2.1771200000e+00  3.2457900000e+00 -3.9196000000e-01  1.4771700000e+00  1.1845200000e+00 -1.2112400000e+00  1.3096100000e+00  1.4250900000e+00 -1.3832600000e+00  3.9924000000e-01  8.2561000000e-01 -2.0410700000e+00  1.6239100000e+00  2.3508900000e+00 -1.5350400000e+00 -1.1256900000e+00  2.9592500000e+00 -1.0427300000e+00 -1.6768400000e+00  1.4858000000e+00 -1.3291900000e+00 -1.4799000000e+00 -1.9560500000e+00  1.9852000000e-01 -9.1207000000e-01 -2.3798400000e+00  1.0238700000e+00 -1.1474900000e+00 -1.3344700000e+00  4.3567000000e-01 -2.2386000000e-01  2.7136000000e-01 -7.5438000000e-01 -2.5082600000e+00  5.0653000000e-01 -9.2580000000e-02 -3.1586000000e+00 -6.3419000000e-01 -5.5021000000e-01 -2.2747200000e+00  1.5189100000e+00  2.7398800000e+00  8.2808000000e-01  2.1991500000e+00  2.0675400000e+00  8.6621000000e-01  1.4543200000e+00  3.0670700000e+00  1.7253100000e+00
ENERGY -9.171629860697e+02
EMD0 -3.046619660000e+02
FORCES   2.1295000000e-03  9.9391000000e-03 -4.2866000000e-03  5.4208000000e-03 -9.9637000000e-03  1.0799000000e-03  2.2156000000e-03  5.9755000000e-03 -7.3670000000e-04  1.5608300000e-02 -8.3876000000e-03  4.5927000000e-03 -1.0607900000e-02  1.4612700000e-02 -2.6362000000e-03  7.5820000000e-04 -9.7769000000e-03  4.8157000000e-03 -3.6760000000e-04 -5.6299000000e-03  6.5270000000e-04  3.5903000000e-03 -2.0348000000e-03 -1.2331000000e-03 -6.6990000000e-04  7.4178000000e-03 -2.3280000000e-04  1.0421300000e-02  4.6280000000e-04  5.5418000000e-03 -3.1609000000e-03 -5.2288000000e-03  1.8784000000e-03  4.6390000000e-04 -3.3618000000e-03 -5.2131000000e-03 -1.0559700000e-02  9.2101000000e-03 -1.0797300000e-02  1.1575200000e-02 -9.7204000000e-03  1.1093500000e-02 -6.2270000000e-03  8.9580000000e-04 -6.0748000000e-03  9.6530000000e-03  1.5033000000e-03 -5.0061000000e-03  5.8873000000e-03 -3.2000000000e-06  8.5220000000e-04 -1.4865900000e-02 -2.1665000000e-03  9.3020000000e-04  2.7090000000e-04 -3.6081000000e-03 -1.4343000000e-03 -3.2081000000e-03 -4.4231000000e-03 -6.7880000000e-04  1.0875000000e-02  5.6322000000e-03  4.1605000000e-03 -2.8667000000e-03 -7.4926000000e-03 -8.0736000000e-03 -1.3705600000e-02  3.4523000000e-03  6.5409000000e-03 -2.4402000000e-03  1.2815100000e-02 -1.1613000000e-03 -1.0519000000e-02  2.1320000000e-03 -7.8120000000e-03 -4.1060000000e-03  1.4170000000e-04 -4.0566000000e-03  1.1502700000e-02  2.6660000000e-04  1.5754300000e-02 -2.9042000000e-03  1.4844900000e-02  1.0315700000e-02  3.5955000000e-03 -6.7831000000e-03  1.2311200000e-02 -4.5312000000e-03 -9.4740000000e-04 -1.7920700000e-02 -2.7340000000e-04 -2.1710000000e-03  1.0341800000e-02 -3.3270000000e-03  4.6250000000e-04  2.1190000000e-03  1.3509600000e-02 -4.6287000000e-03 -1.3426400000e-02  8.3390000000e-04 -1.7462000000e-03 -2.6576000000e-03 -1.2406400000e-02  5.3064000000e-03  2.5237000000e-03 -1.5644000000e-03 -6.9970000000e-03 -2.0662000000e-03

JOB 108
COORDS  -4.9914100000e+00 -1.0296800000e+00  1.0269300000e+00 -4.0955300000e+00 -7.4225000000e-01  1.2030500000e+00 -5.3858800000e+00 -1.1302200000e+00  1.8932600000e+00 -5.8410000000e-02  9.9817000000e-01  2.3580000000e+00  5.5702000000e-01  4.3312000000e-01  1.8908800000e+00  3.4390000000e-02  1.8531700000e+00  1.9377800000e+00 -3.5473000000e-01  3.1782000000e+00 -7.5775000000e-01 -6.7078000000e-01  4.0530500000e+00 -9.8356000000e-01  5.2694000000e-01  3.1385000000e+00 -1.1283200000e+00 -2.4776800000e+00 -2.5097200000e+00  1.4434300000e+00 -2.1880100000e+00 -1.5976800000e+00  1.4659700000e+00 -3.3969600000e+00 -2.4631200000e+00  1.1807800000e+00  4.4990000000e-01 -3.6010800000e+00  1.4354000000e-01 -5.0170000000e-01 -3.5721200000e+00  4.4260000000e-02  5.8859000000e-01 -3.8057800000e+00  1.0682500000e+00 -1.3108000000e+00  8.2651000000e-01 -1.6347700000e+00 -2.2564000000e+00  9.4264000000e-01 -1.5420700000e+00 -9.5058000000e-01  1.7086200000e+00 -1.5433600000e+00  3.4240800000e+00  1.0147700000e+00  1.7833800000e+00  2.9880900000e+00  1.2758100000e+00  2.5945600000e+00  2.7845000000e+00  4.6204000000e-01  1.3343100000e+00  1.3724600000e+00 -5.7547000000e-01  7.8710000000e-01  1.4176300000e+00 -2.5558000000e-01 -1.1393000000e-01  1.5294600000e+00 -1.5170000000e+00  7.1565000000e-01  3.1554200000e+00  1.9859000000e-01 -2.2760000000e+00  3.8070500000e+00 -2.1922000000e-01 -1.7129300000e+00  2.4251500000e+00 -4.1984000000e-01 -2.2977300000e+00 -2.1777800000e+00  4.6800000000e-02  1.0029600000e+00 -1.7756800000e+00  2.9463000000e-01  1.7042000000e-01 -1.5875800000e+00  3.9949000000e-01  1.6689200000e+00  9.0454000000e-01 -1.0866100000e+00 -2.2388800000e+00  2.3066000000e-01 -4.0773000000e-01 -2.2039800000e+00  4.9844000000e-01 -1.8492700000e+00 -1.8269800000e+00  2.1065400000e+00  2.4563100000e+00 -1.6092600000e+00  2.5499000000e+00  1.6597600000e+00 -1.9010900000e+00  2.2161300000e+00  3.0713900000e+00 -2.3344500000e+00
ENERGY -9.171641347632e+02
EMD0 -3.104747180000e+02
FORCES   8.8030000000e-04  5.8223000000e-03 -3.6529000000e-03 -6.9006000000e-03 -1.4332700000e-02  4.8513000000e-03  5.9058000000e-03  1.9730000000e-04 -5.9050000000e-04  6.3344000000e-03 -1.1230700000e-02 -5.1348000000e-03 -3.6544000000e-03  1.1946800000e-02  2.8520000000e-03  1.1187000000e-03 -6.9690000000e-03 -1.2332000000e-03  1.1065700000e-02 -8.1885000000e-03  3.1934000000e-03  7.4705000000e-03 -1.8013000000e-03 -3.9560000000e-03 -1.9766400000e-02  1.2370900000e-02 -4.2435000000e-03 -3.6579000000e-03  2.1030400000e-02 -3.0571000000e-03 -5.4711000000e-03 -7.7499000000e-03  5.3410000000e-03  3.9639000000e-03  6.5427000000e-03  3.3342000000e-03 -5.0348000000e-03 -6.2742000000e-03  1.0926000000e-03  8.2769000000e-03 -2.0177000000e-03 -1.7749000000e-03 -3.3100000000e-04  3.0229000000e-03 -2.4055000000e-03  3.4846000000e-03  1.5361400000e-02 -1.8860000000e-04  5.2687000000e-03  3.3330000000e-03  8.0357000000e-03 -7.3491000000e-03 -1.5399800000e-02 -6.8655000000e-03 -3.6141000000e-03 -4.5399000000e-03 -3.4501000000e-03 -2.0495000000e-03 -2.1718000000e-03 -3.5592000000e-03  1.0258000000e-03  5.5933000000e-03  2.4172000000e-03 -8.7688000000e-03  1.1789000000e-03  6.5461000000e-03  4.6354000000e-03 -3.0647000000e-03  7.9104000000e-03  4.7618000000e-03  8.0902000000e-03 -2.4888000000e-03 -1.6031100000e-02  1.9220000000e-04 -4.5132000000e-03 -7.1148000000e-03 -5.1905000000e-03 -1.1350000000e-04  1.3688000000e-02  9.6263000000e-03  7.9585000000e-03  1.4345600000e-02  2.7510000000e-04  9.4580000000e-04 -4.8284000000e-03  2.7089000000e-03  7.8746000000e-03 -1.0226000000e-02 -9.0692000000e-03 -1.3652700000e-02  4.8922000000e-03  2.9276000000e-03 -7.8185000000e-03  1.1563700000e-02 -9.5002000000e-03  4.2485000000e-03 -3.9344000000e-03  8.1460000000e-03 -7.1560000000e-04  1.5721600000e-02 -2.8298800000e-02  2.8714000000e-03 -1.0732600000e-02  2.0896000000e-02 -1.5754000000e-03 -4.9387000000e-03 -3.4635000000e-03  1.5167000000e-03

JOB 109
COORDS  -4.6257100000e+00 -5.9960000000e-01  2.7795400000e+00 -3.9649700000e+00 -1.5080000000e-02  2.4080700000e+00 -4.9829700000e+00 -1.1558000000e-01  3.5240700000e+00  7.3289000000e-01  1.1234200000e+00  9.9683000000e-01  1.1051700000e+00  2.4588000000e-01  9.0988000000e-01  1.3129500000e+00  1.6824900000e+00  4.7992000000e-01 -1.1599300000e+00  1.3431400000e+00 -1.2486500000e+00 -5.5335000000e-01  1.3064200000e+00 -5.0910000000e-01 -8.5648000000e-01  2.0854200000e+00 -1.7713100000e+00 -3.5321600000e+00 -2.1813500000e+00  4.9360000000e-01 -4.0373000000e+00 -1.5990000000e+00 -7.3790000000e-02 -3.8832700000e+00 -2.0260600000e+00  1.3704300000e+00 -3.8894000000e-01 -2.1485700000e+00  1.2609900000e+00 -1.0910700000e+00 -2.3769700000e+00  6.5183000000e-01 -8.1915000000e-01 -1.6265500000e+00  1.9382300000e+00 -8.5775000000e-01 -4.5290000000e-01 -3.1628400000e+00 -1.6416600000e+00 -1.0021900000e+00 -3.1631200000e+00 -1.0214000000e+00  1.9849000000e-01 -2.4808300000e+00  3.6891300000e+00  2.9930000000e-02  1.4197800000e+00  3.1741000000e+00 -6.9546000000e-01  1.0665400000e+00  3.3360000000e+00  1.6945000000e-01  2.2984500000e+00  2.3113100000e+00 -1.9727900000e+00  3.7081000000e-01  2.1029400000e+00 -1.8404100000e+00 -5.5401000000e-01  1.4629100000e+00 -2.1180900000e+00  7.8955000000e-01  2.6931500000e+00  1.4207400000e+00 -8.6941000000e-01  3.1090600000e+00  9.7484000000e-01 -1.3157000000e-01  3.0129300000e+00  9.5530000000e-01 -1.6422900000e+00 -2.0205100000e+00  6.8735000000e-01  1.5327200000e+00 -2.0768300000e+00  6.8147000000e-01  5.7719000000e-01 -1.0972900000e+00  8.5963000000e-01  1.7176500000e+00  1.9736200000e+00 -1.1223400000e+00 -2.3435300000e+00  1.0690200000e+00 -9.2073000000e-01 -2.5828400000e+00  2.3343600000e+00 -1.5590500000e+00 -3.1151500000e+00  1.2174300000e+00  3.7994900000e+00 -1.1646100000e+00  2.0167800000e+00  3.2739900000e+00 -1.1311400000e+00  1.4868700000e+00  4.6202100000e+00 -1.5769700000e+00
ENERGY -9.171816673081e+02
EMD0 -3.341020280000e+02
FORCES  -5.2210000000e-04 -1.5055000000e-03  1.8225000000e-03 -1.1693400000e-02 -3.9939000000e-03  4.6997000000e-03  4.3334000000e-03  4.3344000000e-03 -2.5972000000e-03  1.2074100000e-02  3.3839000000e-03 -2.6051000000e-03 -5.7090000000e-04  5.2491000000e-03  1.1454000000e-03 -2.3822000000e-03 -6.3965000000e-03  2.8398000000e-03  4.5055000000e-03 -1.6297000000e-03  5.4073000000e-03 -1.1623200000e-02  1.9065000000e-03 -9.0629000000e-03  4.7710000000e-04 -9.5238000000e-03 -8.9780000000e-04 -5.6282000000e-03 -9.6630000000e-04  4.4321000000e-03  5.3680000000e-04  2.5330000000e-04  2.5660000000e-03  3.1358000000e-03  1.0297000000e-03 -9.2833000000e-03 -5.6442000000e-03 -2.8232000000e-03 -6.3150000000e-04  6.2528000000e-03  1.8096000000e-03  3.4852000000e-03  2.4113000000e-03 -2.1547000000e-03 -1.8802000000e-03 -5.4038000000e-03  1.4076200000e-02  9.3406000000e-03 -1.3228000000e-03  4.3602000000e-03  3.8699000000e-03  3.2500000000e-04 -1.0145700000e-02 -1.3047100000e-02 -1.1015000000e-03 -1.8404900000e-02 -3.6465000000e-03  1.2241000000e-03  2.4539900000e-02  8.1769000000e-03 -3.8604000000e-03 -5.3569000000e-03 -2.9676000000e-03  1.1200000000e-04 -4.0833000000e-03 -4.4149000000e-03 -4.3775000000e-03 -3.0738000000e-03  1.5504600000e-02  1.1739200000e-02  7.4304000000e-03 -7.7389000000e-03 -1.5739000000e-03 -7.4520000000e-03  6.9241000000e-03 -1.3343200000e-02  1.3437000000e-03 -1.5131900000e-02  7.1828000000e-03  2.9535000000e-03  5.7758000000e-03  9.1050000000e-03  7.7954000000e-03 -4.6076000000e-03  4.9279000000e-03 -1.2519000000e-03  3.6685000000e-03 -6.5129000000e-03 -6.7517000000e-03 -2.6702000000e-03 -7.5079000000e-03  1.7806000000e-03 -9.1590000000e-04  1.6152300000e-02 -4.7177000000e-03  2.2249000000e-03 -3.8349000000e-03  2.7637000000e-03 -4.6530000000e-04  2.0318000000e-03 -3.5778000000e-03  3.5167000000e-03 -4.7563000000e-03  1.3353500000e-02 -2.4592000000e-03  5.1325000000e-03 -4.5543000000e-03 -3.7700000000e-04

JOB 110
COORDS  -4.2768500000e+00 -3.0530000000e-01  2.1173000000e+00 -3.3662000000e+00 -4.1183000000e-01  2.3922500000e+00 -4.7532900000e+00 -1.2825000000e-01  2.9284000000e+00  5.4770000000e-02  7.4375000000e-01  1.0587600000e+00  3.5632000000e-01 -1.5741000000e-01  1.1737600000e+00  8.3667000000e-01  1.2259900000e+00  7.8987000000e-01 -1.0340100000e+00  1.0171200000e+00 -1.3847600000e+00 -7.4989000000e-01  9.9885000000e-01 -4.7089000000e-01 -7.6057000000e-01  1.8771100000e+00 -1.7039400000e+00 -3.1943800000e+00 -1.1386300000e+00 -5.0227000000e-01 -3.2594100000e+00 -4.6488000000e-01 -1.1790600000e+00 -3.7807900000e+00 -8.3856000000e-01  1.9222000000e-01 -8.5348000000e-01 -2.4624000000e+00  9.9773000000e-01 -1.5596100000e+00 -2.1267000000e+00  4.4553000000e-01 -1.2216600000e+00 -3.2443100000e+00  1.4091800000e+00 -4.1524000000e-01 -1.3590600000e+00 -2.6054200000e+00 -1.2167900000e+00 -1.8122400000e+00 -2.8669200000e+00 -7.1542000000e-01 -6.4766000000e-01 -2.0397000000e+00  3.7274500000e+00  5.1955000000e-01  1.3838500000e+00  3.2396100000e+00 -2.9925000000e-01  1.4722500000e+00  4.2248000000e+00  5.9172000000e-01  2.1985100000e+00  1.8700100000e+00 -1.5637400000e+00  6.6864000000e-01  2.0635900000e+00 -1.5243600000e+00 -2.6796000000e-01  1.0492300000e+00 -2.0531400000e+00  7.2368000000e-01  2.7165800000e+00  1.4647800000e+00 -1.3321000000e+00  2.9818500000e+00  1.4159900000e+00 -4.1369000000e-01  2.4076400000e+00  5.8294000000e-01 -1.5398300000e+00 -1.5205900000e+00  1.0093000000e+00  3.5011100000e+00 -9.7345000000e-01  6.1893000000e-01  2.8195800000e+00 -8.9823000000e-01  1.4066900000e+00  4.1101900000e+00  2.2028000000e+00 -1.2418200000e+00 -2.0662200000e+00  1.3239800000e+00 -1.1147200000e+00 -2.4236500000e+00  2.5807200000e+00 -1.9399600000e+00 -2.6010200000e+00  7.0396000000e-01  3.3922900000e+00 -1.8944800000e+00  1.4563500000e+00  2.8714400000e+00 -1.6136500000e+00  1.0495100000e+00  3.9619500000e+00 -2.5817300000e+00
ENERGY -9.171861920702e+02
EMD0 -3.487800660000e+02
FORCES  -2.6597000000e-03  5.7392000000e-03  1.7895000000e-03 -5.8664000000e-03 -4.7221000000e-03 -1.9409000000e-03  4.3488000000e-03 -2.0732000000e-03  1.6449000000e-03  2.8712000000e-03 -2.4966000000e-03 -5.3619000000e-03 -6.2237000000e-03  9.3464000000e-03  4.2194000000e-03 -5.5060000000e-03 -3.7775000000e-03 -3.7980000000e-03  6.4421000000e-03  4.7159000000e-03  7.7775000000e-03  2.7057000000e-03  4.8314000000e-03 -1.3981700000e-02 -4.2248000000e-03 -7.3556000000e-03  1.0142400000e-02 -3.0349000000e-03  4.4790000000e-03  1.1350000000e-03 -7.3393000000e-03 -3.0661000000e-03  2.5077000000e-03  6.8358000000e-03 -1.8380000000e-04 -9.9753000000e-03 -2.0546000000e-03  2.1305000000e-03 -4.5206000000e-03  6.6529000000e-03 -1.0488700000e-02  1.1474500000e-02 -4.1123000000e-03  2.2957000000e-03 -3.2719000000e-03  3.3592000000e-03  9.2431000000e-03  3.9164000000e-03 -3.5661000000e-03  5.5255000000e-03  3.5105000000e-03  2.6386000000e-03 -2.1303700000e-02 -5.3359000000e-03  1.1623000000e-03 -3.0930000000e-03 -3.3875000000e-03  9.5718000000e-03  1.0512200000e-02  7.0535000000e-03 -3.7185000000e-03 -6.3809000000e-03  9.3730000000e-04 -7.7560000000e-04 -6.8187000000e-03 -1.1196700000e-02 -6.2494000000e-03 -1.8354000000e-03  1.4920900000e-02  9.6372000000e-03  9.1102000000e-03 -5.5353000000e-03  9.7426000000e-03 -1.0993900000e-02 -6.5694000000e-03 -1.2155100000e-02 -3.0970000000e-04 -7.4638000000e-03 -3.8302000000e-03  8.2952000000e-03  9.4205000000e-03  2.1781000000e-03  5.2909000000e-03 -5.9893000000e-03 -2.0494000000e-03 -4.6677000000e-03  1.0572100000e-02  2.2128000000e-03 -2.5492000000e-03 -2.8675000000e-03 -9.5011000000e-03 -5.2200000000e-04 -3.3390000000e-03  1.7409000000e-02  5.3134000000e-03  4.3690000000e-03 -5.8266000000e-03 -1.0049000000e-03 -1.3406000000e-03  7.0026000000e-03 -5.1502000000e-03  1.7177000000e-03 -1.0320600000e-02  1.4202300000e-02 -3.0733000000e-03  4.2438000000e-03 -2.2382000000e-03  1.8398000000e-03

JOB 111
COORDS  -2.3593500000e+00 -1.4415800000e+00  2.1724700000e+00 -2.9714700000e+00 -2.0365600000e+00  1.7394200000e+00 -2.8357000000e+00 -6.1402000000e-01  2.2392400000e+00  1.1680000000e+00  7.1079000000e-01  2.0252600000e+00  9.3352000000e-01  7.8740000000e-02  2.7048000000e+00  1.9886200000e+00  3.7855000000e-01  1.6613600000e+00 -8.5400000000e-01  1.1420500000e+00  3.2252000000e-01 -1.4323000000e-01  1.1348600000e+00  9.6360000000e-01 -4.7793000000e-01  1.5676200000e+00 -4.4799000000e-01 -2.9862600000e+00  1.0402000000e-01 -1.2524900000e+00 -2.4424800000e+00  5.5021000000e-01 -6.0331000000e-01 -2.6427500000e+00 -7.8899000000e-01 -1.2803100000e+00 -8.7750000000e-02 -1.8561300000e+00  3.2307400000e+00 -8.5651000000e-01 -1.5976200000e+00  2.7224000000e+00 -3.3007000000e-01 -2.6952800000e+00  3.6223400000e+00 -9.2871000000e-01  5.2381000000e-01 -3.1724800000e+00 -1.8456300000e+00  7.8297000000e-01 -3.0812000000e+00 -4.3810000000e-01  1.2185000000e+00 -2.7332400000e+00  3.7210100000e+00  1.9532000000e-01  5.3052000000e-01  3.1727800000e+00 -5.6376000000e-01  7.2920000000e-01  4.5497600000e+00  1.5590000000e-02  9.7448000000e-01  2.0750700000e+00 -2.0939400000e+00  1.2763400000e+00  1.6295900000e+00 -2.6025100000e+00  5.9875000000e-01  1.4067300000e+00 -1.9491800000e+00  1.9461100000e+00  2.6626900000e+00  8.8574000000e-01 -2.1088200000e+00  3.0943900000e+00  9.2402000000e-01 -1.2553500000e+00  2.5590800000e+00 -4.9640000000e-02 -2.2836100000e+00 -3.7477600000e+00  1.0892300000e+00  1.3625400000e+00 -3.0347500000e+00  1.7157300000e+00  1.2386800000e+00 -3.8785700000e+00  7.0045000000e-01  4.9768000000e-01  9.4645000000e-01 -1.4303800000e+00 -2.5678800000e+00  2.6302000000e-01 -9.3476000000e-01 -3.0190000000e+00  1.2951000000e+00 -2.0209300000e+00 -3.2356600000e+00  3.5180000000e-01  2.2816100000e+00 -1.7898000000e+00  1.1641800000e+00  1.8395900000e+00 -2.0365600000e+00  4.7007000000e-01  3.1840800000e+00 -2.0861000000e+00
ENERGY -9.171841521765e+02
EMD0 -3.412590220000e+02
FORCES   1.3681100000e-02  6.1529000000e-03  4.2862000000e-03 -2.9182000000e-03  3.7764000000e-03  1.1641000000e-03  2.1768000000e-03 -1.7073700000e-02  2.1006000000e-03 -1.9874000000e-03 -3.6000000000e-06 -7.1119000000e-03  6.6071000000e-03  1.3870000000e-03 -6.7446000000e-03 -3.3573000000e-03 -8.4556000000e-03  4.5934000000e-03  2.1718800000e-02 -2.2399000000e-03  6.0363000000e-03 -7.0973000000e-03  7.4787000000e-03 -1.2396400000e-02 -3.1498000000e-03 -5.7576000000e-03  5.9347000000e-03  1.4012000000e-02  2.0149000000e-03 -5.7300000000e-05 -1.8775800000e-02 -2.5802000000e-03 -3.2520000000e-03 -2.6430000000e-03  7.0740000000e-04  2.7676000000e-03 -2.5633300000e-02  4.3151000000e-03 -2.2801000000e-03  1.4413400000e-02 -4.2924000000e-03  6.5940000000e-03 -3.6926000000e-03 -4.2420000000e-04 -4.2673000000e-03  3.6221000000e-03  1.1450500000e-02  1.6120400000e-02  5.3053000000e-03  8.1880000000e-03 -2.2031000000e-03 -1.5200000000e-03 -7.1016000000e-03 -3.3124000000e-03 -1.1741000000e-03 -4.6173000000e-03 -7.8700000000e-04  7.3143000000e-03  1.9006500000e-02  4.3516000000e-03 -3.7204000000e-03 -4.5805000000e-03  1.2244000000e-03 -8.4385000000e-03 -1.8422000000e-03  6.7818000000e-03 -1.9092000000e-03 -1.3476000000e-03  5.4084000000e-03  9.6809000000e-03  9.1580000000e-04 -1.3273100000e-02  1.4010000000e-04 -7.1979000000e-03  2.9916000000e-03 -6.4793000000e-03 -1.2788000000e-03 -9.6268000000e-03  1.0959800000e-02  6.2018000000e-03  3.5153000000e-03  1.6344000000e-03  3.9098000000e-03 -8.4883000000e-03 -6.9353000000e-03 -2.0096000000e-03 -2.7064000000e-03  6.6900000000e-03  3.2622000000e-03  6.2605000000e-03 -1.4138200000e-02  8.7079000000e-03  2.0892000000e-03  1.5504600000e-02 -1.3633100000e-02 -2.1642000000e-03 -2.2907000000e-03  4.9644000000e-03 -6.2790000000e-04  2.9812000000e-03 -2.0196000000e-02  3.2856000000e-03 -2.6166400000e-02  1.6117800000e-02 -3.7715000000e-03  5.5850000000e-03 -3.9252000000e-03 -2.4354000000e-03

JOB 112
COORDS  -2.6514300000e+00  1.4866600000e+00  4.9259800000e+00 -2.5825200000e+00  2.3970100000e+00  5.2136400000e+00 -2.8675500000e+00  1.5447600000e+00  3.9953100000e+00  7.4772000000e-01 -1.4098600000e+00  2.4972000000e+00  3.6120000000e-02 -1.3456000000e+00  3.1341700000e+00  9.1274000000e-01 -5.0573000000e-01  2.2297100000e+00 -1.1838000000e+00 -9.3187000000e-01  5.7284000000e-01 -8.9877000000e-01 -1.5446700000e+00  1.2506900000e+00 -6.9287000000e-01 -1.3002000000e-01  7.5244000000e-01 -6.3905000000e-01 -1.3747900000e+00 -2.2797200000e+00 -8.4061000000e-01 -1.3310600000e+00 -1.3450000000e+00 -9.4779000000e-01 -2.2390800000e+00 -2.5516100000e+00 -1.7079300000e+00 -9.9909000000e-01  3.8078500000e+00 -2.0595900000e+00 -2.2746000000e-01  4.2518700000e+00 -2.3004600000e+00 -1.7090600000e+00  4.0550000000e+00 -2.7640000000e-02  2.0622300000e+00 -5.7909300000e+00  5.5926000000e-01  2.5777900000e+00 -6.3440800000e+00  4.7542000000e-01  1.9002500000e+00 -4.9928600000e+00  2.6966300000e+00  1.1707000000e+00 -5.0161000000e-01  3.2404900000e+00  3.8877000000e-01 -4.0662000000e-01  2.3209900000e+00  1.0966400000e+00 -1.3789100000e+00  3.2302100000e+00 -1.6722100000e+00  8.6529000000e-01  2.7719900000e+00 -2.2616500000e+00  2.6627000000e-01  2.5903000000e+00 -1.4822400000e+00  1.5513400000e+00  1.7598900000e+00  1.3609000000e-01 -2.7413800000e+00  1.2942000000e+00 -6.3594000000e-01 -2.4199100000e+00  1.9032200000e+00 -4.0010000000e-02 -3.6712600000e+00 -3.2244900000e+00  1.0770400000e+00  2.2821800000e+00 -2.8040100000e+00  2.3339000000e-01  2.4485700000e+00 -3.5327000000e+00  1.0173600000e+00  1.3779200000e+00  1.2474000000e-01 -6.4819000000e-01 -5.1071500000e+00 -4.0021000000e-01 -7.7114000000e-01 -4.3162400000e+00 -7.6500000000e-02  2.4301000000e-01 -5.3926200000e+00  9.3695000000e-01  1.1107300000e+00  1.4444500000e+00  1.4809100000e+00  1.0719400000e+00  6.5779000000e-01  1.4504500000e+00  1.6265900000e+00  2.0660900000e+00
ENERGY -9.171632317922e+02
EMD0 -3.140332910000e+02
FORCES  -2.1800000000e-03  1.4258000000e-03 -1.5714000000e-03 -2.9663000000e-03  1.5957000000e-03 -6.4788000000e-03  9.5040000000e-03 -7.0514000000e-03  1.1860100000e-02 -4.7240000000e-03  1.2233700000e-02  1.2546000000e-03  4.6501000000e-03  2.3769000000e-03 -1.1717800000e-02 -3.6580000000e-04 -1.5235000000e-02  5.8967000000e-03  1.0303200000e-02  3.2100000000e-04  1.3300900000e-02 -6.2822000000e-03  3.1120000000e-03 -1.7016000000e-03 -2.9719000000e-03 -7.5538000000e-03 -2.3833000000e-03 -4.6044000000e-03  7.4060000000e-03  1.0146700000e-02  4.7544000000e-03 -8.7809000000e-03 -1.7685100000e-02 -4.1720000000e-04  2.9449000000e-03  3.3748000000e-03  7.3752000000e-03  5.5646000000e-03  6.8677000000e-03 -7.9613000000e-03 -1.0932800000e-02 -1.5525500000e-02 -1.6802000000e-03  5.4412000000e-03  2.2290000000e-04 -4.4033000000e-03 -2.3400000000e-05 -3.0360000000e-03  2.1839000000e-03 -8.5860000000e-04  6.2617000000e-03 -9.1500000000e-04 -6.6908000000e-03 -8.8391000000e-03 -2.2139000000e-03 -3.1708000000e-03 -1.0335600000e-02 -4.5576000000e-03  5.5269000000e-03 -5.0716000000e-03  2.7260000000e-03  4.4930000000e-04  1.3046000000e-02 -1.3970000000e-03 -5.2399000000e-03  8.6145000000e-03 -5.9730000000e-04  2.9867000000e-03  7.3630000000e-04  2.6877000000e-03  3.1479000000e-03 -8.8667000000e-03 -7.2342000000e-03 -2.0812000000e-03  2.4555000000e-03  1.2077100000e-02  2.9006000000e-03 -1.3656000000e-03  1.3937000000e-03  5.4020000000e-04  5.4280000000e-03  1.7858000000e-03  3.1978000000e-03  2.1340000000e-04 -7.4471000000e-03  9.2502000000e-03  4.2891000000e-03  1.4087000000e-03 -6.0176000000e-03  1.2663000000e-03 -5.5254000000e-03  2.3144000000e-03 -5.5037000000e-03  1.9662000000e-03  3.3793000000e-03 -7.7085000000e-03  5.0934000000e-03 -4.6150000000e-04  1.4857200000e-02  1.3196700000e-02  5.4870000000e-03 -2.1303600000e-02 -1.5706400000e-02 -2.9597000000e-03  2.0363300000e-02  3.0445000000e-03 -4.5446000000e-03 -1.3618000000e-03

JOB 113
COORDS  -2.3989100000e+00 -1.3040000000e-01  2.7705400000e+00 -2.9713900000e+00  5.1823000000e-01  3.1801500000e+00 -2.4466700000e+00  6.4350000000e-02  1.8345800000e+00  7.5083000000e-01 -3.2724000000e-01  2.4454200000e+00  3.6989000000e-01 -1.1936300000e+00  2.3023000000e+00 -3.7300000000e-03  2.5303000000e-01  2.5462000000e+00  6.2748000000e-01  4.7630000000e-01 -2.3456000000e-01  9.1156000000e-01 -1.3000000000e-04  5.4553000000e-01  1.3854000000e+00  1.0062900000e+00 -4.8135000000e-01 -6.2843000000e-01 -8.0911000000e-01 -2.4355800000e+00 -6.8310000000e-02 -4.4663000000e-01 -1.7492100000e+00 -3.9368000000e-01 -3.1649000000e-01 -3.2219900000e+00 -2.2443100000e+00 -2.8253600000e+00  1.9430900000e+00 -2.6590200000e+00 -2.0975500000e+00  2.4062900000e+00 -2.7786000000e+00 -3.5875300000e+00  2.1663700000e+00 -4.1450000000e-02  6.9446000000e-01 -4.8548400000e+00 -9.7680000000e-01  5.3096000000e-01 -4.9758200000e+00  3.8941000000e-01 -3.1300000000e-02 -5.3063400000e+00  3.3386500000e+00  8.1334000000e-01  5.3675000000e-01  3.5443000000e+00  2.6643000000e-01  1.2949300000e+00  4.1693600000e+00  1.2313400000e+00  3.0997000000e-01  2.0657300000e+00  1.7799500000e+00  3.8884100000e+00  1.6252600000e+00  1.0569200000e+00  3.4418200000e+00  2.2676400000e+00  2.4048200000e+00  3.1919800000e+00  2.2865000000e-01 -1.9672300000e+00 -5.9050100000e+00 -4.0103000000e-01 -2.0355400000e+00 -5.1873300000e+00 -2.1068000000e-01 -2.3780000000e+00 -6.6496500000e+00 -2.4108300000e+00  6.3677000000e-01  1.3492000000e-01 -1.5283000000e+00  6.6122000000e-01 -2.3491000000e-01 -2.9845100000e+00  8.5972000000e-01 -5.9817000000e-01 -2.8516700000e+00 -5.3933000000e-01 -4.2562200000e+00 -2.1543900000e+00 -8.5674000000e-01 -3.6824000000e+00 -3.4500200000e+00 -1.2817300000e+00 -4.3401300000e+00  3.6754100000e+00  2.2990800000e+00  6.0597800000e+00  3.1324500000e+00  2.2860600000e+00  5.2715900000e+00  3.4810400000e+00  1.4710000000e+00  6.4988000000e+00
ENERGY -9.171395652820e+02
EMD0 -2.667286870000e+02
FORCES  -1.4616000000e-03  1.5749000000e-03 -9.4171000000e-03 -5.0830000000e-04  4.4230000000e-04 -5.2089000000e-03  1.4177000000e-03 -2.8844000000e-03  1.8945600000e-02 -3.0106000000e-03 -3.7180000000e-03  6.8995000000e-03  1.6776000000e-03  7.7823000000e-03 -6.1929000000e-03  1.1812500000e-02 -1.4040000000e-04 -2.2490000000e-03  8.8007000000e-03 -1.8277000000e-03  1.2687100000e-02 -1.4610000000e-03  1.9838000000e-03 -8.6615000000e-03 -3.8947000000e-03 -1.6209000000e-03 -8.2440000000e-04  8.2170000000e-03  6.7750000000e-03  9.8580000000e-03 -3.5804000000e-03 -4.3550000000e-04 -1.4757400000e-02 -1.0816000000e-02 -1.0561200000e-02  5.9524000000e-03  1.3771000000e-03  5.7738000000e-03 -1.0539000000e-03 -3.0225000000e-03 -1.2853500000e-02 -3.5055000000e-03 -2.3462000000e-03  5.4177000000e-03  2.8392000000e-03  2.6492000000e-03  4.7220000000e-03 -1.0798300000e-02  9.6238000000e-03 -7.6633000000e-03  6.8909000000e-03 -7.8783000000e-03  2.9231000000e-03  9.2250000000e-03 -3.9457000000e-03 -2.3953000000e-03 -1.7202000000e-03  5.1861000000e-03  3.8597000000e-03 -3.6172000000e-03 -6.7200000000e-04 -3.2489000000e-03  4.5047000000e-03 -3.8200000000e-04 -8.3929000000e-03  7.1414000000e-03 -1.1508000000e-03  1.3241000000e-02 -3.5061000000e-03 -1.2258000000e-03 -4.1248000000e-03  1.0194000000e-03  4.1797000000e-03 -1.8665000000e-03 -1.3832000000e-03 -3.1760000000e-04  3.8281000000e-03 -6.7987000000e-03 -3.0285000000e-03 -4.7880000000e-04  5.5963000000e-03  1.8683000000e-03 -4.7103000000e-03  1.3283000000e-03 -1.2391100000e-02  2.1127000000e-03 -5.9620000000e-04  5.1715000000e-03  2.7681000000e-03 -1.5079000000e-03 -3.1989000000e-03  3.7227000000e-03  7.6300000000e-03 -1.1108000000e-03 -4.2420000000e-04 -1.6891000000e-02  5.0535000000e-03 -1.5502000000e-03  2.6793000000e-03 -5.7045000000e-03 -1.4821000000e-03 -7.2501000000e-03  5.1686000000e-03  2.9958000000e-03  4.8330000000e-03 -1.0963000000e-03  4.5600000000e-04 -2.0905000000e-03

JOB 114
COORDS  -3.8217900000e+00 -2.2532000000e-01  7.0913000000e-01 -4.7186700000e+00 -5.2971000000e-01  5.7061000000e-01 -3.5371800000e+00  8.2350000000e-02 -1.5144000000e-01  5.6660000000e-01  1.6919700000e+00  1.3481700000e+00  5.9200000000e-03  9.3588000000e-01  1.1743800000e+00 -2.3460000000e-02  2.4441900000e+00  1.3010100000e+00  2.5716100000e+00  5.0064000000e-01 -2.1852000000e-01  2.1862200000e+00  1.1487000000e+00  3.7115000000e-01  3.3864500000e+00  2.4005000000e-01  2.1086000000e-01 -9.9430000000e-02  5.0851000000e-01 -2.3300400000e+00  6.7645000000e-01  1.0317100000e+00 -2.1287600000e+00 -3.4011000000e-01  7.6846000000e-01 -3.2192700000e+00 -9.8550000000e-01 -3.3901000000e-01  9.6671000000e-01 -1.9361300000e+00 -3.8755000000e-01  1.0675300000e+00 -8.1289000000e-01 -7.4824000000e-01  1.1879000000e-01 -1.6099000000e+00  5.4101000000e-01 -4.5943100000e+00 -2.5071900000e+00  6.4805000000e-01 -4.2786400000e+00 -1.6604600000e+00 -1.8079000000e-01 -5.2209500000e+00  4.3081100000e+00  4.5570000000e-02  1.7807200000e+00  3.6465900000e+00  3.5576000000e-01  2.3991100000e+00  5.1423900000e+00  2.0264000000e-01  2.2229200000e+00  3.4429000000e-01  4.0045000000e-01  3.8923400000e+00  2.2370000000e-02  7.5272000000e-01  3.0625800000e+00  3.4568000000e-01 -5.4836000000e-01  3.7658400000e+00 -1.5315100000e+00 -2.3760400000e+00 -3.0532000000e+00 -9.0226000000e-01 -2.6168400000e+00 -2.3732800000e+00 -1.4301900000e+00 -3.0513300000e+00 -3.7239800000e+00 -2.8969700000e+00  4.0062000000e-01 -1.7274600000e+00 -2.8056200000e+00 -3.8531000000e-01 -2.2661700000e+00 -2.0219100000e+00  7.8845000000e-01 -1.7184600000e+00  2.8943000000e-01 -1.9053400000e+00 -7.6987000000e-01  5.8637000000e-01 -1.2741000000e+00 -1.4253100000e+00  1.0171600000e+00 -1.9693400000e+00 -1.5136000000e-01  2.8988400000e+00  8.3523000000e-01  4.0903900000e+00  1.9452300000e+00  8.0719000000e-01  4.1683000000e+00  3.2126300000e+00  2.3471000000e-01  4.7665100000e+00
ENERGY -9.171754540194e+02
EMD0 -3.155486290000e+02
FORCES   4.4175000000e-03  3.0879000000e-03 -9.9053000000e-03  6.1450000000e-04  3.0012000000e-03 -6.8081000000e-03 -5.1625000000e-03 -6.8466000000e-03  1.5492500000e-02 -7.6168000000e-03 -1.9326200000e-02 -7.1994000000e-03  1.0890700000e-02  1.7562600000e-02  1.0509800000e-02 -3.8960000000e-03 -5.4999000000e-03  7.9560000000e-04  7.0953000000e-03  3.2660000000e-03  1.1914400000e-02  9.8176000000e-03 -4.9337000000e-03 -3.2372000000e-03 -9.4736000000e-03  3.2334000000e-03 -2.3106000000e-03 -5.5131000000e-03 -6.0034000000e-03 -7.5052000000e-03 -6.2113000000e-03  1.7270000000e-04 -1.0583000000e-02  8.8184000000e-03  8.8433000000e-03  1.3482100000e-02  5.7067000000e-03 -3.2533000000e-03 -5.7130000000e-03  1.2068700000e-02 -9.0720000000e-04 -9.4744000000e-03 -1.0776700000e-02  1.1365500000e-02  6.5890000000e-03  4.7906000000e-03 -2.0449000000e-03  5.5995000000e-03  2.1500000000e-03 -5.1111000000e-03 -4.4098000000e-03 -6.6454000000e-03  2.7287000000e-03 -1.5540000000e-04 -9.3706000000e-03  3.9919000000e-03  4.0002000000e-03  1.0715400000e-02 -4.2326000000e-03 -1.3468400000e-02 -2.5485000000e-03  3.3510000000e-04  3.4962000000e-03  7.4061000000e-03  8.4440000000e-03 -7.9406000000e-03 -3.6384000000e-03 -8.8259000000e-03  4.6889000000e-03  2.5920000000e-03  3.6014000000e-03 -1.0297000000e-03  2.6463000000e-03  1.1291000000e-03  5.3289000000e-03 -3.6266000000e-03 -3.8004000000e-03 -1.1935700000e-02  3.6815000000e-03  3.2530000000e-04  3.3094000000e-03  7.8542000000e-03 -2.0001000000e-03  5.7263000000e-03 -3.2292000000e-03  9.4617000000e-03 -6.6130000000e-04 -1.2115900000e-02 -1.7094000000e-03 -1.6106000000e-03  6.0400000000e-04  4.4943000000e-03  6.1065000000e-03 -3.9880000000e-04 -1.0696200000e-02  7.5020000000e-03 -1.7013000000e-03  1.7101000000e-03 -3.6800000000e-03 -2.3646700000e-02  3.2412000000e-03 -2.5601000000e-03  1.8992100000e-02 -4.1057000000e-03  7.2622000000e-03 -5.2902000000e-03 -6.9870000000e-04 -1.6156000000e-03

JOB 115
COORDS  -2.7046600000e+00 -1.1243500000e+00 -7.9748000000e-01 -2.1828600000e+00 -1.2519900000e+00 -1.5897300000e+00 -2.8785100000e+00 -2.0102300000e+00 -4.7931000000e-01  2.3091000000e-01  2.3385900000e+00  1.8567700000e+00 -2.5029000000e-01  1.5953500000e+00  1.4930600000e+00 -2.8579000000e-01  3.1045600000e+00  1.6067200000e+00  1.4001300000e+00  1.8898600000e+00 -4.5198000000e-01  1.4948600000e+00  1.9917100000e+00  4.9506000000e-01  2.1443900000e+00  1.3463100000e+00 -7.1054000000e-01 -5.9743000000e-01  1.3094700000e+00 -3.1241600000e+00 -1.4426000000e-01  1.5529500000e+00 -2.3169500000e+00  5.2800000000e-03  1.5624700000e+00 -3.8234200000e+00 -1.5946600000e+00  2.4787000000e-01  1.4105200000e+00 -1.8594100000e+00 -2.0010000000e-01  6.0711000000e-01 -2.4084000000e+00  3.6044000000e-01  1.9018300000e+00 -2.0547400000e+00  3.3063300000e+00 -4.8263200000e+00 -2.9858400000e+00  3.1506200000e+00 -4.6680700000e+00 -1.6190800000e+00  2.9742000000e+00 -4.0413900000e+00  3.3501300000e+00 -1.9319000000e-01  7.2134000000e-01  3.3983600000e+00 -8.7882000000e-01  1.3875400000e+00  4.1803100000e+00  2.7674000000e-01  8.0007000000e-01  1.5538300000e+00  8.9552000000e-01  3.9178500000e+00  9.0138000000e-01  1.2983300000e+00  3.3449000000e+00  1.6037100000e+00  1.4809200000e+00  4.6735300000e+00 -1.6335400000e+00 -3.8512800000e+00 -2.5131000000e-01 -1.7898600000e+00 -4.1273900000e+00 -1.1543900000e+00 -8.3798000000e-01 -3.3209400000e+00 -2.9679000000e-01 -6.2956000000e-01 -1.5275500000e+00 -2.6107600000e+00  5.4330000000e-02 -1.6616100000e+00 -1.9545900000e+00 -4.1990000000e-01 -6.8158000000e-01 -3.0065200000e+00  1.9421000000e-01 -1.7773900000e+00  8.6764000000e-01 -4.2360000000e-01 -1.1364900000e+00  1.2194800000e+00  4.1502000000e-01 -2.3332300000e+00  1.6149900000e+00  2.4354600000e+00 -1.5570100000e+00  3.1442100000e+00  1.9095800000e+00 -7.5814000000e-01  3.1826600000e+00  2.7842400000e+00 -1.6575900000e+00  4.0299100000e+00
ENERGY -9.171562287819e+02
EMD0 -2.803615650000e+02
FORCES   7.6255000000e-03 -6.5068000000e-03 -1.3213500000e-02 -1.1629600000e-02 -2.4318000000e-03  1.0232300000e-02 -7.0010000000e-04  6.6324000000e-03 -4.9136000000e-03 -1.0739000000e-03 -4.6367000000e-03 -8.7212000000e-03  1.1441500000e-02  1.2819700000e-02  3.5680000000e-03 -2.5348000000e-03 -4.1943000000e-03 -2.0123000000e-03 -4.1172000000e-03  1.1235000000e-03  1.7554500000e-02  4.9006000000e-03 -3.0457000000e-03 -6.9594000000e-03 -1.1460000000e-03  6.2007000000e-03 -1.9820000000e-04 -4.9801000000e-03  1.2170000000e-04  3.8627000000e-03 -1.5354000000e-03 -2.3398000000e-03 -1.4004300000e-02 -9.6480000000e-04  3.3020000000e-04  6.7264000000e-03 -3.5726000000e-03 -6.6561000000e-03 -1.1056700000e-02  1.1007100000e-02  4.7300000000e-03  2.5036200000e-02 -8.6750000000e-04 -9.8400000000e-04 -4.0246000000e-03  1.3961000000e-03 -2.8900000000e-03  1.1710000000e-04  2.7780000000e-03 -5.9000000000e-05  3.1365000000e-03 -2.7395000000e-03  4.6788000000e-03 -4.2006000000e-03 -6.5680000000e-03 -8.0202000000e-03  6.5188000000e-03  1.0743800000e-02  7.9206000000e-03 -7.7334000000e-03 -2.0629000000e-03 -2.7146000000e-03  1.1970000000e-03  2.9124000000e-03 -2.5230000000e-04 -6.5070000000e-03  2.6121000000e-03 -8.7547000000e-03  1.0149700000e-02 -3.6529000000e-03  2.7861000000e-03 -2.8930000000e-03  6.3080000000e-03 -4.6690000000e-04  6.1361000000e-03  2.0638000000e-03  5.5567000000e-03  2.5274000000e-03 -6.7753000000e-03 -8.4062000000e-03 -9.7972000000e-03 -1.5552000000e-03  7.2022000000e-03 -3.3748000000e-03 -2.5229000000e-03  2.9552000000e-03 -5.8029000000e-03  6.9605000000e-03 -1.1244900000e-02  5.7380000000e-03 -9.3390000000e-04  1.0363200000e-02  5.2855000000e-03  1.7691000000e-03 -5.8329000000e-03 -3.1355000000e-03 -7.9262000000e-03  2.6578000000e-03 -1.3095000000e-03 -3.3372000000e-03  1.1884600000e-02  5.4702000000e-03  1.6800000000e-04 -9.5796000000e-03 -3.2311000000e-03 -1.4904000000e-03  1.0535000000e-03 -1.6760000000e-04

JOB 116
COORDS  -2.2828700000e+00 -4.4373000000e-01 -1.1982000000e-01 -2.2544900000e+00  1.6491000000e-01 -8.5805000000e-01 -1.8697700000e+00 -1.2414100000e+00 -4.5042000000e-01 -1.0408800000e+00  2.1443700000e+00  1.6916300000e+00 -1.7150800000e+00  1.5112800000e+00  1.9383800000e+00 -1.3706000000e+00  2.5448300000e+00  8.8718000000e-01  3.6337000000e-01  5.8314000000e-01 -4.4397000000e-01 -3.3750000000e-02  6.9801000000e-01  4.1936000000e-01  1.2891700000e+00  4.2113000000e-01 -2.6263000000e-01  1.7583800000e+00 -3.1710000000e-02 -3.1006800000e+00  1.2230000000e+00  2.6680000000e-02 -2.3093600000e+00  2.6447000000e+00 -1.9687000000e-01 -2.7791300000e+00 -2.4991500000e+00 -1.1524000000e-01  2.6210800000e+00 -2.4500300000e+00 -4.7697000000e-01  1.7362300000e+00 -3.4284100000e+00 -1.5809000000e-01  2.8466200000e+00 -1.5682400000e+00  1.4980900000e+00 -2.1907700000e+00 -1.4233700000e+00  1.1823200000e+00 -3.0826900000e+00 -7.4096000000e-01  1.3303200000e+00 -1.7394500000e+00  2.7687600000e+00 -6.7977000000e-01 -2.9461000000e-01  3.2499200000e+00 -3.4085000000e-01  4.6027000000e-01  1.9822900000e+00 -1.0761500000e+00  8.0330000000e-02  8.7840000000e-01  1.8169600000e+00  3.4511300000e+00  3.1537000000e-01  2.0417700000e+00  2.7104000000e+00  6.9441000000e-01  2.4907800000e+00  4.1056100000e+00 -9.8457000000e-01 -2.7226300000e+00 -1.0215400000e+00 -7.8988000000e-01 -2.6064400000e+00 -1.9515000000e+00 -2.9384000000e-01 -2.2381900000e+00 -5.6939000000e-01 -6.5461000000e-01  3.8355000000e-01 -4.4082200000e+00 -4.3822000000e-01  6.0453000000e-01 -5.3140800000e+00  1.8943000000e-01  3.6712000000e-01 -3.9570300000e+00  4.3656000000e-01 -1.7971800000e+00  1.1251000000e+00 -4.2152000000e-01 -1.8017200000e+00  1.5492800000e+00  1.0309700000e+00 -2.1594700000e+00  1.7821100000e+00  2.7553200000e+00 -6.5148000000e-01  2.5985700000e+00  2.1435400000e+00 -1.9704000000e-01  3.1777500000e+00  3.5844000000e+00 -6.5054000000e-01  3.0769600000e+00
ENERGY -9.171689909544e+02
EMD0 -3.226005650000e+02
FORCES   4.8692000000e-03  9.5170000000e-04 -1.5144800000e-02  2.3766000000e-03 -1.4082300000e-02  8.3025000000e-03  3.1393000000e-03  1.2597600000e-02  5.6752000000e-03  2.4715000000e-03 -3.1761000000e-03  1.3578700000e-02  7.0273000000e-03  1.2750100000e-02 -1.4061100000e-02 -4.1250000000e-03 -6.4310000000e-03  3.6250000000e-03 -1.4804000000e-03 -3.8077000000e-03  6.4767000000e-03  1.0544100000e-02 -1.3035000000e-03 -3.1476000000e-03 -9.4243000000e-03 -6.1234000000e-03  3.8900000000e-03  4.1802000000e-03 -5.9540000000e-04  2.1970000000e-04  6.2190000000e-04  5.7050000000e-04 -8.6178000000e-03 -3.1180000000e-03  7.2420000000e-04  2.5390000000e-04  3.9000000000e-04 -3.4053000000e-03 -5.9331000000e-03  1.6780000000e-04  1.9850000000e-04  1.8465300000e-02  1.0980000000e-03 -1.4450000000e-03 -4.8310000000e-03  7.4033000000e-03 -4.2420000000e-04 -1.4498100000e-02  7.9893000000e-03  9.7640000000e-04  1.3465200000e-02 -8.2360000000e-03 -3.5816000000e-03 -8.7129000000e-03 -1.0901000000e-03 -6.5545000000e-03  7.3985000000e-03 -2.5305000000e-03  1.0225000000e-03 -5.5617000000e-03  1.6832000000e-03  1.3511100000e-02 -5.2423000000e-03 -1.2955400000e-02  2.8334000000e-03 -1.0905700000e-02  7.2908000000e-03  1.0025000000e-03  1.0020700000e-02 -2.2447000000e-03  1.8149000000e-03 -3.6659000000e-03  1.7154000000e-03 -5.7695000000e-03  6.2808000000e-03  4.0290000000e-03  3.5755000000e-03  5.7789000000e-03 -1.3305300000e-02  4.7178000000e-03 -9.1859000000e-03  2.0502000000e-03 -3.9000000000e-04  6.5640000000e-03  4.3582000000e-03 -6.0980000000e-04  2.1807000000e-03 -1.2905400000e-02  5.9140000000e-03  2.4791000000e-03 -1.4557000000e-03  2.3201000000e-03 -5.2383000000e-03  5.3251000000e-03 -4.5537000000e-03  5.3700000000e-05 -8.1553000000e-03  8.9460000000e-04 -1.2817000000e-03 -3.5943000000e-03  5.2452000000e-03 -8.5500000000e-04  9.5341000000e-03 -1.1877200000e-02  1.3139000000e-03 -3.6442000000e-03  2.5094000000e-03  8.6040000000e-04

JOB 117
COORDS  -1.7645400000e+00 -7.1008000000e-01 -1.8662000000e-01 -2.3601800000e+00 -1.0028900000e+00 -8.7634000000e-01 -1.7298900000e+00 -1.4432500000e+00  4.2778000000e-01 -2.0781000000e+00  5.8434000000e-01  3.4176500000e+00 -2.4634900000e+00  9.0742000000e-01  2.6032000000e+00 -1.9151900000e+00 -3.4461000000e-01  3.2541100000e+00  2.6654000000e-01  1.8938800000e+00 -1.0096800000e+00 -1.8449000000e-01  2.2824300000e+00 -2.6011000000e-01 -4.0067000000e-01  1.8494500000e+00 -1.6945800000e+00  2.5316400000e+00  1.1325800000e+00 -2.5131000000e+00  2.5083900000e+00  2.6702000000e-01 -2.1050700000e+00  1.9734700000e+00  1.6754300000e+00 -1.9563300000e+00 -2.4269300000e+00  1.7768700000e+00  7.9654000000e-01 -2.9963800000e+00  2.0983700000e+00  9.7540000000e-02 -2.1025800000e+00  9.3597000000e-01  4.7417000000e-01 -1.4602000000e+00  1.0740400000e+00 -3.0663700000e+00 -7.3433000000e-01  5.7235000000e-01 -3.4374100000e+00 -1.9982900000e+00  1.3118300000e+00 -3.8214500000e+00  2.9187300000e+00 -1.3750000000e+00 -1.1805400000e+00  2.4412000000e+00 -1.0911100000e+00 -4.0105000000e-01  3.8055800000e+00 -1.0374700000e+00 -1.0548700000e+00  5.3656000000e-01  1.4072100000e+00  3.1243300000e+00 -3.8213000000e-01  1.2690900000e+00  3.3548800000e+00  5.7350000000e-01  2.3133000000e+00  2.8179700000e+00 -1.5179100000e+00 -2.0989900000e+00  2.3074100000e+00 -2.0482100000e+00 -2.8796600000e+00  2.4673300000e+00 -6.4800000000e-01 -2.4386700000e+00  2.0974000000e+00  8.1335000000e-01 -1.0228000000e-01 -4.3232000000e+00  1.3258300000e+00 -8.5325000000e-01 -4.6226000000e+00  1.4517700000e+00  4.6914000000e-01 -3.8964400000e+00  1.0373500000e+00 -3.1295500000e+00  1.9099100000e+00  1.9022300000e+00 -3.3076300000e+00  2.2793700000e+00  1.2141400000e+00 -2.6152800000e+00  1.1221800000e+00  1.2096000000e+00 -3.9629000000e-01  8.1523000000e-01  7.6279000000e-01  6.6190000000e-02  1.0621000000e-01  9.6985000000e-01  8.7290000000e-02  1.6057400000e+00
ENERGY -9.171938754577e+02
EMD0 -3.584884750000e+02
FORCES   3.7469000000e-03  8.6050000000e-04  6.6999000000e-03 -1.0645000000e-03 -5.9173000000e-03  7.5251000000e-03 -3.3234000000e-03  5.9420000000e-04 -1.6260400000e-02 -3.2517000000e-03 -1.7938000000e-03 -2.4381000000e-03  5.5974000000e-03 -1.0039700000e-02  5.1093000000e-03 -2.9589000000e-03  1.1276000000e-02 -7.8710000000e-04 -5.9246000000e-03 -3.4270000000e-04 -8.6348000000e-03 -1.3650000000e-04 -2.5255000000e-03 -5.6876000000e-03  8.6818000000e-03  5.6589000000e-03  1.1663800000e-02  1.1730000000e-04 -2.3565000000e-03  9.6102000000e-03 -4.2321000000e-03  1.2272700000e-02 -3.6435000000e-03  5.9036000000e-03 -7.8253000000e-03 -4.3726000000e-03 -8.0680000000e-04 -1.0589000000e-02 -1.9600000000e-03  3.5041000000e-03 -3.7354000000e-03 -2.0639000000e-03 -5.9538000000e-03  1.7255500000e-02  6.3712000000e-03  6.9301000000e-03 -5.1015000000e-03 -3.4670000000e-03 -1.1516400000e-02  1.2848100000e-02  5.3977000000e-03  1.8697000000e-03 -3.9173000000e-03 -1.0226000000e-03 -4.4072000000e-03 -4.2816000000e-03  6.3704000000e-03  8.1911000000e-03 -5.4870000000e-04 -1.3152000000e-02 -5.6646000000e-03  3.2028000000e-03  1.7787000000e-03 -1.3541100000e-02 -2.4973000000e-03  1.1185000000e-02  1.8063800000e-02  9.3179000000e-03 -6.4438000000e-03 -4.5187000000e-03 -2.2798000000e-03  8.4000000000e-05  1.3694300000e-02 -1.0367000000e-03  8.0070000000e-03  3.7394000000e-03 -1.4320000000e-04 -3.6780000000e-03 -1.8768600000e-02  1.8456000000e-03 -8.6894000000e-03  7.2723000000e-03  4.1670000000e-03  6.1838000000e-03  5.0360000000e-03  4.0234000000e-03  8.9960000000e-04 -1.0673700000e-02 -1.2851600000e-02 -9.6625000000e-03 -5.7350000000e-04  3.7210000000e-03  5.1908000000e-03  2.1156000000e-03  1.4622000000e-03 -6.7931000000e-03  7.5800000000e-05 -8.7003000000e-03  5.1858000000e-03 -2.4882000000e-03  9.1674000000e-03  1.0126000000e-02  7.8130000000e-03 -5.0631000000e-03  8.5248000000e-03 -2.5484000000e-03 -6.1269000000e-03 -1.7156800000e-02

JOB 118
COORDS  -2.0482200000e+00 -1.0540000000e+00 -1.0315800000e+00 -1.4632100000e+00 -7.8294000000e-01 -3.2410000000e-01 -2.3382800000e+00 -1.9309400000e+00 -7.8044000000e-01  4.5574000000e-01  3.6144400000e+00  1.7961300000e+00 -2.7609000000e-01  3.6741100000e+00  1.1820400000e+00  2.4216000000e-01  4.2428900000e+00  2.4858100000e+00 -1.4333400000e+00  2.7043000000e+00 -3.5669000000e-01 -2.0646300000e+00  1.9870000000e+00 -3.0031000000e-01 -1.2285900000e+00  2.7710400000e+00 -1.2893500000e+00  1.6003900000e+00  4.6567000000e-01 -2.0704600000e+00  1.7733100000e+00  1.3919500000e+00 -2.2388000000e+00  1.3216200000e+00  4.3604000000e-01 -1.1552300000e+00 -3.6783900000e+00  1.2538000000e+00 -5.7817000000e-01 -3.7176400000e+00  1.7695700000e+00 -1.3835700000e+00 -3.3503600000e+00  3.9872000000e-01 -8.5653000000e-01 -7.2885000000e-01  2.6470500000e+00 -2.9454900000e+00 -3.4576000000e-01  1.8055200000e+00 -3.1931000000e+00 -4.2490000000e-01  3.2563400000e+00 -3.6182600000e+00  2.8722100000e+00 -2.1849700000e+00  9.4462000000e-01  3.0145000000e+00 -1.7897600000e+00  8.4510000000e-02  2.9146800000e+00 -1.4500400000e+00  1.5564200000e+00  2.4191700000e+00  9.2748000000e-01  2.2917900000e+00  2.1314900000e+00  1.8370700000e+00  2.2135900000e+00  3.0577700000e+00  9.3820000000e-01  3.0047500000e+00 -6.5058000000e-01 -5.2416500000e+00  2.5053800000e+00 -5.6919000000e-01 -5.7340900000e+00  1.6886200000e+00 -1.5163000000e-01 -4.4392000000e+00  2.3525400000e+00 -5.2533000000e-01 -6.0060000000e-02 -3.7951600000e+00 -1.0738300000e+00 -6.1511000000e-01 -3.2408200000e+00  3.6288000000e-01 -1.9338000000e-01 -3.4641900000e+00  1.3466600000e+00 -3.5357100000e+00  2.7473900000e+00  1.9443200000e+00 -4.1028800000e+00  3.2345700000e+00  1.8797100000e+00 -3.1795100000e+00  2.0366100000e+00  2.2939000000e-01  3.4562000000e-01  5.0914000000e-01 -1.7583000000e-01  1.2125600000e+00  4.8799000000e-01  7.9139000000e-01  3.6223000000e-01  1.2838100000e+00
ENERGY -9.171623156376e+02
EMD0 -3.017468880000e+02
FORCES   5.2127000000e-03  8.1310000000e-04  1.6337000000e-03 -1.3415100000e-02 -6.3435000000e-03 -4.4760000000e-03  3.4769000000e-03  3.2358000000e-03  2.7829000000e-03 -4.0609000000e-03 -9.0990000000e-04 -5.9787000000e-03  6.5167000000e-03  8.4762000000e-03  1.3333400000e-02 -3.3843000000e-03 -4.1600000000e-05 -4.0603000000e-03 -1.6359000000e-02 -8.9660000000e-04 -1.6068400000e-02  1.6822000000e-02  7.2000000000e-05 -9.1843000000e-03 -8.6920000000e-03 -6.3879000000e-03  1.1588800000e-02 -7.2857000000e-03 -3.3559000000e-03  7.5119000000e-03 -3.4234000000e-03 -2.1424000000e-03  2.0490000000e-03  1.0766600000e-02  6.5357000000e-03 -1.3060900000e-02 -2.2187000000e-03 -3.0884000000e-03  3.0558000000e-03  7.2014000000e-03 -4.6347000000e-03  2.0694000000e-03 -1.8126000000e-03  1.5405800000e-02  1.4130000000e-04 -7.5611000000e-03 -1.0497600000e-02  3.9416000000e-03  8.9767000000e-03  1.9259100000e-02  2.4384000000e-03  4.4709000000e-03 -6.2859000000e-03 -1.1761000000e-03 -3.8281000000e-03 -5.0882000000e-03 -2.1703000000e-03  2.3129000000e-03  4.0209000000e-03  5.4180000000e-03  3.3660000000e-04 -5.8890000000e-03 -3.2260000000e-03 -3.6352000000e-03  6.1350000000e-04 -7.2380000000e-04  7.2677000000e-03 -8.6567000000e-03  5.2565000000e-03 -5.6510000000e-04  5.1141000000e-03 -2.7868000000e-03  1.0791000000e-02  9.7322000000e-03  6.6648000000e-03  2.4468000000e-03  4.9360000000e-03  1.7000000000e-05 -9.3926000000e-03 -8.3532000000e-03 -8.9832000000e-03  1.0246000000e-03 -2.1367000000e-03  4.8571000000e-03  6.3737000000e-03 -3.6770000000e-04 -4.3362000000e-03 -9.0683000000e-03  1.5481000000e-03 -5.4260000000e-03 -4.8136000000e-03 -1.4438000000e-03 -4.3482000000e-03  4.7217000000e-03  4.0934000000e-03 -4.8519000000e-03 -1.0864000000e-03 -5.1546000000e-03  1.2602300000e-02 -4.1800000000e-04  2.9696000000e-03  7.8524000000e-03  8.0587000000e-03 -1.2753700000e-02  4.8947000000e-03 -5.7574000000e-03  7.6027000000e-03 -7.2519000000e-03

JOB 119
COORDS  -1.5757200000e+00 -3.6189000000e-01 -2.2624700000e+00 -1.3791700000e+00 -3.7330000000e-01 -1.3257400000e+00 -1.4989900000e+00 -1.2762800000e+00 -2.5349300000e+00  1.6888700000e+00  1.9250100000e+00  1.0533500000e+00  1.1964800000e+00  2.4274800000e+00  4.0427000000e-01  2.0825700000e+00  1.2092200000e+00  5.5448000000e-01  4.7890000000e-02  2.6605800000e+00 -1.1380800000e+00 -8.1038000000e-01  3.0603000000e+00 -1.2789100000e+00  2.6355000000e-01  2.2533500000e+00 -1.9770600000e+00  1.9436500000e+00 -1.8970000000e-01 -7.0401000000e-01  1.7813000000e+00  4.5433000000e-01 -1.3932800000e+00  1.0807600000e+00 -5.5530000000e-01 -5.0909000000e-01 -3.0173700000e+00  3.1134900000e+00 -3.1194700000e+00 -3.7014400000e+00  2.6357300000e+00 -2.6504000000e+00 -3.4383500000e+00  3.4020100000e+00 -3.9292600000e+00  9.5613000000e-01  9.2391000000e-01 -3.1477700000e+00  3.2882000000e-01  2.0899000000e-01 -3.0400000000e+00  1.1168100000e+00  9.6211000000e-01 -4.0906100000e+00  9.4393000000e-01 -8.0548000000e-01  3.3045700000e+00  1.8581500000e+00 -1.0827900000e+00  3.2450700000e+00  9.8055000000e-01  5.3240000000e-02  3.7258700000e+00  1.0503100000e+00  1.9724200000e+00  3.7613300000e+00  1.3696900000e+00  1.8456300000e+00  2.8679300000e+00  4.8966000000e-01  2.7464200000e+00  3.7081800000e+00  4.4304500000e+00 -6.6910900000e+00  1.6681900000e+00  5.3163900000e+00 -6.3351000000e+00  1.6003200000e+00  3.9425600000e+00 -6.0288300000e+00  2.1577000000e+00 -4.2675400000e+00  1.3396100000e+00 -1.7328100000e+00 -3.6661300000e+00  6.5041000000e-01 -2.0148200000e+00 -4.5809400000e+00  1.0489800000e+00 -8.7633000000e-01 -1.5844000000e+00 -3.0894800000e+00  2.0375300000e+00 -2.4333700000e+00 -3.2536300000e+00  2.4480400000e+00 -1.1420800000e+00 -2.4856400000e+00  2.6341600000e+00 -4.9118000000e-01 -7.7738000000e-01  3.1531000000e-01 -1.9225000000e-01 -3.3049000000e-01  1.1072500000e+00 -9.3510000000e-01 -1.5625100000e+00  6.3585000000e-01
ENERGY -9.171541239289e+02
EMD0 -2.858465020000e+02
FORCES   1.6005000000e-03  3.4473000000e-03  9.1691000000e-03 -7.3963000000e-03 -6.4772000000e-03 -1.4767100000e-02  3.6894000000e-03  3.7132000000e-03  3.4973000000e-03 -2.5832000000e-03 -5.0987000000e-03 -1.4212300000e-02  9.5520000000e-03 -4.9857000000e-03  5.7443000000e-03 -3.4362000000e-03  1.2533400000e-02  2.7353000000e-03  3.4517000000e-03 -3.7826000000e-03 -4.4559000000e-03  3.7822000000e-03 -2.8254000000e-03 -2.0646000000e-03 -6.3665000000e-03  5.9014000000e-03  8.2457000000e-03 -9.0283000000e-03 -4.6186000000e-03 -1.7730000000e-04 -5.8176000000e-03 -1.2720000000e-03  1.0762000000e-02  6.0869000000e-03  7.2921000000e-03 -5.4329000000e-03 -3.6902000000e-03 -9.1979000000e-03  1.0454100000e-02  1.6582000000e-03  3.8665000000e-03 -1.1307700000e-02 -4.6416000000e-03 -4.0485000000e-03  3.3587000000e-03 -1.5294000000e-03  7.4570000000e-04  3.4995000000e-03  1.3023500000e-02  1.7401000000e-03 -5.2185000000e-03 -5.1845000000e-03 -6.0233000000e-03  9.7500000000e-04  8.4160000000e-04  8.8128000000e-03  5.9328000000e-03 -4.4660000000e-04  4.9015000000e-03  2.9954000000e-03  8.0083000000e-03 -1.3151900000e-02 -6.3294000000e-03  4.1726000000e-03  3.4966000000e-03 -1.0421500000e-02 -7.4881000000e-03 -4.4497000000e-03  1.9761600000e-02  1.0626000000e-03  2.7870000000e-04 -3.9252000000e-03 -1.4608000000e-03 -2.9866000000e-03 -1.3128000000e-03 -4.0419000000e-03  2.3013000000e-03  2.5491000000e-03  5.5527000000e-03  7.0840000000e-04 -1.1355000000e-03  6.1933000000e-03  1.3112300000e-02 -8.0916000000e-03 -1.0467400000e-02  2.7659000000e-03  7.4963000000e-03  4.4856000000e-03 -6.1443000000e-03 -2.3765000000e-03  1.5584000000e-03 -8.1416000000e-03  2.0804000000e-03  3.5708000000e-03  3.5597000000e-03  2.6903000000e-03 -1.0081000000e-02 -7.5940000000e-04 -5.9018000000e-03  8.5551000000e-03  1.1059000000e-03  1.7967000000e-03 -5.7633000000e-03 -8.7001000000e-03 -5.6460000000e-03  2.5772000000e-03  1.2380700000e-02 -9.6680000000e-04

JOB 120
COORDS  -2.6856300000e+00 -1.1921700000e+00 -2.2460200000e+00 -2.5301400000e+00 -9.4337000000e-01 -1.3348900000e+00 -3.3128700000e+00 -1.9133500000e+00 -2.1941600000e+00  2.6202000000e-01  3.3213000000e-01  1.0381600000e+00  2.4459000000e-01  6.8051000000e-01  1.4678000000e-01  1.1094100000e+00 -1.0762000000e-01  1.1074200000e+00  9.7723000000e-01  1.3796700000e+00 -1.4123600000e+00  6.1247000000e-01  2.2557500000e+00 -1.2871800000e+00  4.7156000000e-01  1.0103800000e+00 -2.1363500000e+00  2.6586500000e+00 -4.8197000000e-01  6.8670000000e-02  3.5679300000e+00 -5.7618000000e-01 -2.1517000000e-01  2.2465900000e+00  4.4120000000e-02 -6.1666000000e-01 -5.0101000000e-01  3.6872600000e+00 -9.0027000000e-01 -8.4015000000e-01  4.5758600000e+00 -1.0079500000e+00 -1.2764000000e+00  3.1276400000e+00 -9.4296000000e-01 -8.8462000000e-01  5.2986000000e-01 -3.1933400000e+00 -1.4863000000e+00 -1.8241000000e-01 -2.9768100000e+00 -7.0554000000e-01  4.1730000000e-01 -4.1268800000e+00 -1.9425600000e+00  1.4509300000e+00  3.5475300000e+00 -1.0499900000e+00  1.7498700000e+00  3.3737800000e+00 -2.5005900000e+00  2.1465900000e+00  3.1998400000e+00  3.3043000000e-01  2.4981100000e+00  2.7866700000e+00  3.8775000000e-01  1.8506400000e+00  2.0840100000e+00 -1.2290000000e-02  3.2841500000e+00  2.3613400000e+00  1.1408240000e+01 -8.5107700000e+00 -1.5501000000e+00  1.0714930000e+01 -8.7195400000e+00 -2.1761800000e+00  1.0944510000e+01 -8.1897400000e+00 -7.7671000000e-01 -3.5427100000e+00  1.4634200000e+00 -1.3573500000e+00 -3.7713400000e+00  8.7708000000e-01 -2.0785800000e+00 -3.1524800000e+00  8.9078000000e-01 -6.9701000000e-01 -3.6074000000e+00 -5.5561000000e-01  2.9834400000e+00 -2.9090700000e+00  3.1900000000e-03  3.3244700000e+00 -4.3494000000e+00 -3.9526000000e-01  3.5665100000e+00 -2.3564400000e+00 -6.2565000000e-01  3.4286000000e-01 -1.4803200000e+00 -3.9819000000e-01  6.5417000000e-01 -2.7536100000e+00 -1.1028500000e+00  1.0714000000e+00
ENERGY -9.171689455955e+02
EMD0 -3.167512310000e+02
FORCES   9.0016000000e-03  3.9551000000e-03  1.2116100000e-02 -5.5990000000e-03  1.6382000000e-03 -1.9734900000e-02 -1.5797000000e-03  2.7479000000e-03  6.5121000000e-03  1.7047200000e-02 -2.6288000000e-03 -1.1665500000e-02 -7.9359000000e-03 -6.5731000000e-03  1.4249900000e-02 -8.4959000000e-03  7.3168000000e-03 -2.6883000000e-03 -5.5174000000e-03  7.2900000000e-03 -1.0462500000e-02 -5.5505000000e-03 -1.4761900000e-02 -5.7570000000e-04  1.0138500000e-02  8.0153000000e-03  1.2199300000e-02 -4.4969000000e-03  2.9556000000e-03  2.9909000000e-03 -2.7901000000e-03  3.2044000000e-03 -6.2040000000e-03  6.5708000000e-03 -1.0101800000e-02  6.7403000000e-03  4.3272000000e-03  2.0701000000e-03 -4.4528000000e-03 -5.2871000000e-03 -3.7075000000e-03  1.8744000000e-03  7.8591000000e-03  5.5588000000e-03  2.4109000000e-03 -1.1811400000e-02 -5.4720000000e-03  9.8214000000e-03  1.0364000000e-02  8.9644000000e-03 -5.9070000000e-03 -2.6046000000e-03 -4.1817000000e-03  2.0771000000e-03  2.2696900000e-02  2.0975000000e-03 -4.2291000000e-03 -1.9004700000e-02 -2.0234000000e-03 -3.9555000000e-03  4.1333000000e-03  3.5650000000e-04 -4.8620000000e-04  3.3562000000e-03 -1.1142700000e-02 -2.2519000000e-03 -7.2790000000e-03  1.7193300000e-02  1.0349900000e-02 -3.9363000000e-03 -6.7287000000e-03 -8.4690000000e-04  3.6752000000e-03 -4.1020000000e-04 -3.9480000000e-04 -1.0307000000e-03  2.0669000000e-03  5.0425000000e-03 -2.6411000000e-03 -1.6534000000e-03 -4.6548000000e-03 -3.9100000000e-05 -7.9890000000e-03 -1.2410000000e-04 -1.3051000000e-03 -7.5870000000e-04  4.6488000000e-03  3.7080000000e-04  3.3686000000e-03 -1.0067400000e-02  9.9613000000e-03  1.0278300000e-02  1.8902000000e-03 -1.5253400000e-02 -9.7317000000e-03 -1.1400000000e-04  3.9938000000e-03  4.7482000000e-03  2.5144000000e-03  7.1820000000e-04  4.6940000000e-04  6.1792000000e-03 -1.4773400000e-02 -3.6539000000e-03 -5.4315000000e-03  1.2717200000e-02 -2.7767000000e-03 -7.3703000000e-03

JOB 121
COORDS  -3.4960200000e+00  4.9010000000e-02 -1.6569300000e+00 -3.4868300000e+00  3.1318000000e-01 -7.3695000000e-01 -3.6113600000e+00 -9.0091000000e-01 -1.6327000000e+00 -1.5226000000e-01  4.6615000000e-01  2.5181000000e+00 -2.3456000000e-01  4.7463000000e-01  1.5644800000e+00  7.0471000000e-01  7.2270000000e-02  2.6815300000e+00  6.5782000000e-01 -4.0673000000e-01 -1.6754000000e-01  3.6342000000e-01  3.6837000000e-01 -6.4586000000e-01 -6.9400000000e-03 -1.0700200000e+00 -3.5297000000e-01  2.3381800000e+00 -8.9214000000e-01  2.4077900000e+00  3.1951800000e+00 -4.7613000000e-01  2.5010900000e+00  2.2390600000e+00 -1.0288200000e+00  1.4656000000e+00 -1.3196000000e-01  1.9954500000e+00 -2.0980100000e+00 -8.9513000000e-01  1.9091000000e+00 -2.6692800000e+00  5.5599000000e-01  2.3405500000e+00 -2.6671100000e+00 -1.2318300000e+00 -1.2612000000e+00 -2.1437500000e+00 -1.7643400000e+00 -4.7196000000e-01 -2.0448800000e+00 -3.7312000000e-01 -9.3861000000e-01 -2.4172200000e+00 -3.9499100000e+00  2.4522400000e+00  3.7863900000e+00 -3.7865600000e+00  1.5172300000e+00  3.6626600000e+00 -4.7559700000e+00  2.4889600000e+00  4.3013200000e+00 -2.7308800000e+00 -3.4910000000e-02  3.0861800000e+00 -2.8473800000e+00 -9.4772000000e-01  3.3497100000e+00 -1.7853500000e+00  1.0813000000e-01  3.1279300000e+00  1.7261870000e+01 -9.9772100000e+00 -4.6873500000e+00  1.6657140000e+01 -9.3570300000e+00 -4.2800300000e+00  1.7786750000e+01 -9.4438200000e+00 -5.2841900000e+00 -2.7189600000e+00  2.1465000000e+00 -3.2852100000e+00 -3.1264000000e+00  2.9626700000e+00 -2.9952400000e+00 -3.2093300000e+00  1.4597400000e+00 -2.8334100000e+00 -2.6589000000e+00  4.0720800000e+00  1.3330000000e+00 -3.0193200000e+00  3.7239100000e+00  2.1485400000e+00 -1.8086200000e+00  4.4345000000e+00  1.5818300000e+00 -3.2259800000e+00  1.3367000000e+00  8.7693000000e-01 -3.1218600000e+00  1.0368800000e+00  1.7799800000e+00 -3.0391100000e+00  2.2748100000e+00  9.1247000000e-01
ENERGY -9.171615163928e+02
EMD0 -2.949000940000e+02
FORCES   3.3350000000e-04  7.5807000000e-03  3.7136000000e-03 -1.2239000000e-03 -1.7343800000e-02 -1.7922400000e-02  5.8216000000e-03  3.4619000000e-03  7.0164000000e-03  1.1596900000e-02 -5.5633000000e-03 -4.7130000000e-03 -1.1614000000e-03  1.1328000000e-03  6.0563000000e-03 -1.0380900000e-02  6.1206000000e-03 -4.0025000000e-03 -2.3375000000e-03  3.6020000000e-04 -8.7275000000e-03 -2.2567000000e-03 -1.2153400000e-02  7.4000000000e-03  4.2475000000e-03  6.4527000000e-03  1.5624000000e-03 -2.3314000000e-03 -2.1172000000e-03 -5.2160000000e-04 -1.5473000000e-03 -1.4583000000e-03 -5.1726000000e-03  7.4986000000e-03  1.2257000000e-03  8.2353000000e-03 -1.2487400000e-02  8.3880000000e-03 -2.9901000000e-03  1.9528900000e-02 -4.3239000000e-03  2.2380000000e-03 -4.4911000000e-03 -1.0866000000e-03 -2.4905000000e-03 -1.2278300000e-02  4.1366000000e-03 -2.6772000000e-03  1.0554100000e-02 -7.4909000000e-03 -1.2090000000e-04 -3.9269000000e-03  3.9584000000e-03  6.8293000000e-03  2.9845000000e-03 -5.4648000000e-03 -5.1910000000e-04 -9.1894000000e-03  1.0042200000e-02  1.2724000000e-03  1.7633000000e-03 -6.7282000000e-03  2.8100000000e-04  1.3853500000e-02  7.8939000000e-03 -1.3193600000e-02  6.8388000000e-03  5.3690000000e-04  1.8285000000e-03 -2.3319800000e-02 -7.8325000000e-03  3.0329000000e-03  4.0170000000e-04 -3.7791000000e-03  1.0259000000e-03  3.6935000000e-03  1.6944000000e-03 -4.0144000000e-03 -4.0964000000e-03  2.0857000000e-03  2.9893000000e-03 -4.3327000000e-03 -5.8911000000e-03  2.4254000000e-03 -2.8731000000e-03 -4.5373000000e-03  1.3214000000e-03  3.3927000000e-03  1.3687000000e-02 -4.0657000000e-03 -1.6452000000e-03  1.9486000000e-03 -1.9310000000e-03  1.0085700000e-02 -1.0356000000e-03 -1.1911500000e-02 -3.5418000000e-03 -7.4620000000e-04  4.8566000000e-03  1.2482000000e-03  1.2546000000e-03  9.4254000000e-03  2.4830000000e-03  1.5097200000e-02  6.6430000000e-04 -2.9051000000e-03 -9.5058000000e-03  1.2799300000e-02

JOB 122
COORDS  -1.4949900000e+00  2.3520000000e+00 -1.7289900000e+00 -2.0293400000e+00  2.6643700000e+00 -9.9884000000e-01 -1.4785200000e+00  3.0845100000e+00 -2.3449300000e+00 -3.3949200000e+00  1.0580000000e-02  1.8963500000e+00 -3.1075300000e+00  9.2186000000e-01  1.9528900000e+00 -2.6579300000e+00 -4.9518000000e-01  2.2388200000e+00  6.0309000000e-01  9.4034000000e-01  1.9724200000e+00  1.5042000000e+00  1.2293800000e+00  2.1162500000e+00  5.5659000000e-01  7.5755000000e-01  1.0339900000e+00 -1.1510400000e+00 -5.5341000000e-01  3.4869200000e+00 -8.5716000000e-01 -1.4242600000e+00  3.2195400000e+00 -5.9501000000e-01  4.9520000000e-02  2.9934200000e+00 -8.6299000000e-01 -2.9750900000e+00 -3.5872000000e+00 -1.0669200000e+00 -2.0560600000e+00 -3.7604400000e+00 -8.4006000000e-01 -3.3831200000e+00 -4.4527700000e+00  2.8760000000e-01  2.5190000000e-01 -5.3965000000e-01 -1.2098000000e-01  1.0663900000e+00 -8.3273000000e-01  3.2090000000e-02 -3.9495000000e-01 -1.1973200000e+00 -4.4233800000e+00  3.6566700000e+00  4.3819000000e+00 -4.7927800000e+00  2.7752400000e+00  4.3284900000e+00 -5.1680600000e+00  4.2385900000e+00  4.2300700000e+00 -5.2646100000e+00  8.8591000000e-01  4.1027400000e+00 -5.6541700000e+00  1.4217000000e-01  4.5624300000e+00 -4.5945500000e+00  4.9655000000e-01  3.5409100000e+00  2.2764930000e+01 -1.0953410000e+01 -8.1888300000e+00  2.2558470000e+01 -1.0035540000e+01 -8.0124200000e+00  2.3721480000e+01 -1.0985860000e+01 -8.2026000000e+00 -1.9413500000e+00 -3.7374000000e-01 -3.6267400000e+00 -2.7866300000e+00 -7.2507000000e-01 -3.3469400000e+00 -1.8520100000e+00  4.4867000000e-01 -3.1451800000e+00 -2.2362800000e+00  2.7364800000e+00  2.1329800000e+00 -2.4937000000e+00  2.8887900000e+00  3.0422500000e+00 -1.3463900000e+00  2.3886100000e+00  2.1905500000e+00 -2.9089000000e+00  3.9486100000e+00 -2.6481000000e-01 -3.8606400000e+00  3.8650800000e+00 -3.2353000000e-01 -2.6943300000e+00  3.6359700000e+00  6.1409000000e-01
ENERGY -9.171520817325e+02
EMD0 -2.818419230000e+02
FORCES  -1.5420700000e-02  2.0980300000e-02  1.3761100000e-02  1.0353100000e-02 -8.8923000000e-03 -2.6586000000e-03 -2.4080000000e-03 -1.3574000000e-03 -6.9670000000e-04  1.2494600000e-02 -8.7100000000e-05 -1.1209000000e-03 -2.4943000000e-03 -9.2376000000e-03  5.3766000000e-03 -4.5918000000e-03  3.1236000000e-03 -7.6599000000e-03 -6.3120000000e-04 -1.3570500000e-02 -1.1810500000e-02 -1.4070000000e-04 -5.4870000000e-04 -7.7148000000e-03  4.2063000000e-03  1.5554800000e-02  1.2842700000e-02  1.0210500000e-02  8.3157000000e-03  1.7701000000e-03 -2.4077000000e-03  3.8558000000e-03 -4.1044000000e-03 -1.3769000000e-02 -8.2748000000e-03  2.5101000000e-03 -7.5170000000e-04  5.3525000000e-03  3.3918000000e-03  6.7830000000e-04 -1.2194200000e-02 -4.1112000000e-03 -1.6287000000e-03  5.4502000000e-03 -7.6200000000e-05  1.1312000000e-03 -3.6538000000e-03  4.4566000000e-03  6.2926000000e-03 -1.0587100000e-02  9.9064000000e-03 -2.1553000000e-03  7.4142000000e-03 -2.4224000000e-03 -3.2297000000e-03 -3.9496000000e-03  4.6664000000e-03  3.2772000000e-03  1.5161500000e-02 -4.0646000000e-03 -1.9779000000e-03 -4.7054000000e-03  1.9120000000e-04  1.1555000000e-03 -2.1153000000e-03 -4.3988000000e-03  3.6362000000e-03 -3.2117000000e-03 -3.8995000000e-03 -7.1819000000e-03  4.2599000000e-03  1.3930500000e-02 -2.3005000000e-03 -2.7567000000e-03 -5.3080000000e-04  5.3284000000e-03 -1.9520000000e-03 -3.7970000000e-04 -3.0283000000e-03  4.7089000000e-03  9.1060000000e-04  2.8652000000e-03  2.5063000000e-03 -1.5045000000e-03  3.4847000000e-03  3.1124000000e-03  8.6520000000e-04 -5.3954000000e-03 -8.9630000000e-03 -3.1745000000e-03 -1.6434000000e-03  7.3983000000e-03 -8.5150000000e-04  1.1028600000e-02 -9.8944000000e-03 -5.6888000000e-03 -1.0779100000e-02  2.5670000000e-03  4.5957000000e-03  7.9606000000e-03 -2.0600000000e-04  3.5459000000e-03  2.8326000000e-03 -2.3252000000e-03  3.3011000000e-03 -5.0004000000e-03 -1.2787000000e-03 -1.9153600000e-02

JOB 123
COORDS  -7.0594000000e-01  7.8584000000e-01 -1.8362000000e+00 -1.2654400000e+00  1.5598700000e+00 -1.9001500000e+00  1.6710000000e-01  1.1007900000e+00 -2.0703700000e+00 -4.5211600000e+00  1.6876600000e+00  1.4344600000e+00 -3.6271900000e+00  1.9940100000e+00  1.2821600000e+00 -4.4200200000e+00  9.2736000000e-01  2.0071300000e+00 -1.0069500000e+00 -1.5721000000e+00  4.1916500000e+00 -2.2791000000e-01 -1.1252900000e+00  4.5228200000e+00 -7.0442000000e-01 -2.4544500000e+00  3.9767900000e+00 -2.8220500000e+00 -3.8743000000e-01  2.4168600000e+00 -3.0152600000e+00 -1.1429000000e+00  1.8617300000e+00 -2.3081100000e+00 -7.4635000000e-01  3.1402300000e+00 -1.8642100000e+00 -1.8037000000e+00 -3.1306500000e+00 -1.2586100000e+00 -1.7628900000e+00 -3.8707900000e+00 -1.7336400000e+00 -9.7607000000e-01 -2.6678200000e+00 -3.6305000000e-01 -4.0246100000e+00  3.2466000000e+00 -1.0687800000e+00 -4.3764300000e+00  2.7040200000e+00  3.5570000000e-01 -3.8686300000e+00  2.6339800000e+00 -3.8640700000e+00  4.5399200000e+00  2.7451000000e+00 -4.7580500000e+00  4.4460200000e+00  2.4161300000e+00 -3.8093800000e+00  5.4505900000e+00  3.0348200000e+00 -6.3613500000e+00  3.9881000000e+00  1.3963500000e+00 -7.1572300000e+00  3.7591500000e+00  1.8763400000e+00 -5.8664500000e+00  3.1701800000e+00  1.3482400000e+00  2.6896850000e+01 -1.1124530000e+01 -1.1226180000e+01  2.5953950000e+01 -1.1117330000e+01 -1.1390840000e+01  2.7076010000e+01 -1.2004740000e+01 -1.0895470000e+01 -5.8166000000e-01  1.6040600000e+00  1.7707200000e+00 -1.0917800000e+00  9.1706000000e-01  2.1997100000e+00 -9.1640000000e-01  1.6272100000e+00  8.7426000000e-01 -2.3135900000e+00  3.4242300000e+00  8.5502000000e-01 -3.0292300000e+00  3.8411900000e+00  1.3348400000e+00 -1.7536900000e+00  3.0509200000e+00  1.5357400000e+00 -2.4733700000e+00  2.9924400000e+00 -1.9171100000e+00 -3.3445600000e+00  2.6141700000e+00 -2.0361200000e+00 -2.4915800000e+00  3.3642100000e+00 -1.0352400000e+00
ENERGY -9.171463637440e+02
EMD0 -2.721325590000e+02
FORCES  -5.5638000000e-03  8.7266000000e-03 -2.8680000000e-04  1.4085500000e-02 -1.3424200000e-02  7.8430000000e-04 -3.4129000000e-03  3.9246000000e-03  2.3000000000e-05  1.1229600000e-02 -2.9414000000e-03  8.6780000000e-04 -5.7055000000e-03 -2.9737000000e-03  5.7437000000e-03 -1.0529000000e-03  4.2768000000e-03 -3.7075000000e-03 -1.7570000000e-03 -1.3435400000e-02 -3.0972000000e-03  2.3169000000e-03 -7.1011000000e-03 -2.5295000000e-03  4.2621000000e-03  1.5843100000e-02  4.4521000000e-03  5.8320000000e-03 -3.8743000000e-03  7.7450000000e-03  4.4950000000e-04 -1.2759000000e-03  5.4256000000e-03 -8.7139000000e-03  4.9018000000e-03 -1.5100100000e-02  2.8450000000e-04  2.3884000000e-03  2.7365000000e-03 -5.5700000000e-05  2.2654000000e-03  2.1294000000e-03 -3.2671000000e-03 -7.2425000000e-03 -7.3149000000e-03 -1.9093000000e-03 -4.6540000000e-04  5.4431000000e-03  5.2282000000e-03  2.8288000000e-03 -2.5389000000e-03 -6.1252000000e-03  8.1800000000e-04  2.9200000000e-05 -1.6035000000e-03 -4.0679000000e-03 -2.0822000000e-03  1.5516300000e-02  2.4969000000e-03  2.6648000000e-03 -5.7798000000e-03 -1.3063000000e-03 -8.8670000000e-04 -7.9150000000e-04 -4.4787000000e-03 -7.4056000000e-03  3.5877000000e-03 -4.0156000000e-03 -2.4220000000e-04 -8.3239000000e-03  1.6084200000e-02  6.6081000000e-03  2.2049000000e-03  2.7588000000e-03 -4.6690000000e-04  2.7798000000e-03 -4.4606000000e-03  2.0431000000e-03 -4.9850000000e-03  1.7020000000e-03 -1.5759000000e-03  5.5700000000e-05 -4.2523000000e-03 -2.5855000000e-03  3.8860000000e-03  6.2200000000e-03 -1.9556000000e-03 -5.9456000000e-03  7.8167000000e-03  9.4953000000e-03  8.1110000000e-03  6.4713000000e-03  1.2933500000e-02  2.1520000000e-03 -1.6988600000e-02 -8.3859000000e-03 -1.3424300000e-02 -1.3810000000e-03 -6.1837000000e-03  1.4013000000e-03  7.0965000000e-03  7.8434000000e-03  2.2133000000e-03  1.1636000000e-03  3.9089000000e-03 -7.1798000000e-03 -4.0984000000e-03 -1.4531800000e-02

JOB 124
COORDS  -3.6144000000e-01 -1.0407300000e+00  1.7262900000e+00  5.7175000000e-01 -8.5848000000e-01  1.8366400000e+00 -4.4421000000e-01 -1.3265300000e+00  8.1651000000e-01 -4.0890300000e+00  1.3906100000e+00 -2.7133000000e-01 -4.2108900000e+00  2.2254800000e+00  1.8074000000e-01 -3.8893300000e+00  7.6670000000e-01  4.2659000000e-01 -4.8748700000e+00 -7.1982000000e-01  2.7005300000e+00 -5.2008500000e+00 -9.5227000000e-01  1.8310900000e+00 -4.9528600000e+00 -1.5266100000e+00  3.2096800000e+00 -2.4151700000e+00  4.2814000000e-01  2.7170100000e+00 -1.7141400000e+00 -2.0603000000e-01  2.5665800000e+00 -3.2207900000e+00 -8.4570000000e-02  2.6512000000e+00 -7.9737000000e-01 -1.7547200000e+00 -8.0582000000e-01 -6.8421000000e-01 -9.1123000000e-01 -1.2439400000e+00 -1.7217800000e+00 -1.7744300000e+00 -5.5819000000e-01 -4.8493600000e+00 -2.9747800000e+00  4.1446500000e+00 -5.5959500000e+00 -3.3842100000e+00  4.5819100000e+00 -4.0824300000e+00 -3.3509000000e+00  4.5766000000e+00 -3.1245400000e+00  4.7547700000e+00 -6.5661000000e-01 -3.9347500000e+00  4.8153900000e+00 -1.5052000000e-01 -2.5710600000e+00  5.4536600000e+00 -3.0813000000e-01 -4.5555700000e+00  3.7022100000e+00  1.8657900000e+00 -5.1874900000e+00  4.1017500000e+00  2.4635200000e+00 -3.8643700000e+00  3.3665500000e+00  2.4365800000e+00  2.9750420000e+01 -1.0774980000e+01 -1.4051840000e+01  2.9752470000e+01 -1.1683640000e+01 -1.3750880000e+01  2.9527400000e+01 -1.0264800000e+01 -1.3273240000e+01 -2.0300300000e+00  2.9758900000e+00  3.1905400000e+00 -1.1525100000e+00  3.0105100000e+00  3.5713000000e+00 -2.2048700000e+00  2.0419000000e+00  3.0751100000e+00 -1.1768300000e+00  3.1073700000e+00  5.6155000000e-01 -1.7941600000e+00  3.5833000000e+00  6.0100000000e-03 -1.6032100000e+00  3.0710700000e+00  1.4177700000e+00 -1.3797000000e+00  9.7912000000e-01 -1.3872100000e+00 -2.3232400000e+00  1.1380800000e+00 -1.3611800000e+00 -1.0168500000e+00  1.5814500000e+00 -7.3777000000e-01
ENERGY -9.171601422429e+02
EMD0 -3.007578950000e+02
FORCES  -7.8715000000e-03 -2.8969000000e-03 -1.9464700000e-02 -2.7700000000e-05 -1.7300000000e-03 -5.1842000000e-03  2.4077000000e-03  6.6023000000e-03  1.7019200000e-02 -9.5170000000e-04  5.6561000000e-03  2.4480000000e-03  2.4513000000e-03 -7.6904000000e-03 -1.1727000000e-03 -3.3249000000e-03  9.0730000000e-04 -2.9090000000e-03  7.3050000000e-04 -5.8695000000e-03  1.3925400000e-02  3.3236000000e-03 -3.8754000000e-03  3.4750000000e-03 -2.9437000000e-03  8.1426000000e-03 -1.2458600000e-02  1.9248000000e-03 -1.4462000000e-03 -9.1710000000e-04 -1.9179300000e-02 -8.3100000000e-05  8.1671000000e-03  1.8438800000e-02 -1.3850000000e-03 -7.2105000000e-03 -6.4820000000e-04  9.2397000000e-03 -6.8882000000e-03  3.1459000000e-03 -1.4835300000e-02  6.9939000000e-03  4.5451000000e-03  1.9979000000e-03  5.8008000000e-03  2.0452000000e-03  8.8361000000e-03 -6.5333000000e-03  5.8249000000e-03 -1.7682000000e-03  1.7553000000e-03 -6.6881000000e-03 -3.1310000000e-03  2.8632000000e-03 -3.1254000000e-03 -3.7670000000e-03 -3.9710000000e-04  4.8795000000e-03  6.6345000000e-03 -4.3428000000e-03 -2.5292000000e-03 -5.0019000000e-03  2.3579000000e-03  3.3320000000e-03 -1.2650000000e-03  3.8028000000e-03  4.5835000000e-03 -3.2170000000e-04  2.4889000000e-03 -1.2105500000e-02 -8.5320000000e-04 -3.1740000000e-03  8.5880000000e-04  1.2631000000e-03 -3.0875000000e-03 -1.1183000000e-03  4.2706000000e-03  3.0983000000e-03  2.5950000000e-04 -5.5339000000e-03 -1.0400000000e-05 -1.7358000000e-03 -1.5599700000e-02  1.4880000000e-04 -1.1530000000e-04 -6.6540000000e-03 -2.3409000000e-03  5.8507000000e-03  2.6196200000e-02 -4.5420000000e-04 -8.0085000000e-03  3.4853000000e-03  9.6890000000e-03  6.3378000000e-03 -2.7296000000e-03  8.1219000000e-03 -7.4950000000e-04  9.4530000000e-04 -1.1418000000e-02 -6.0033000000e-03  1.1851400000e-02  7.2138000000e-03  8.9399000000e-03 -2.2222000000e-03 -1.5277000000e-03 -2.7538000000e-03 -7.3694000000e-03 -9.8781000000e-03

JOB 125
COORDS  -1.6552700000e+00 -1.6457100000e+00  2.8962100000e+00 -1.5551700000e+00 -1.9155000000e+00  3.8091300000e+00 -7.6632000000e-01 -1.4377200000e+00  2.6085700000e+00 -4.3078800000e+00  1.3447500000e+00  3.7040000000e-02 -3.5749700000e+00  1.0298500000e+00 -4.9202000000e-01 -4.3311600000e+00  7.5456000000e-01  7.9028000000e-01 -6.1201900000e+00 -6.3349000000e-01  4.2962400000e+00 -5.8891900000e+00 -9.5072000000e-01  5.1693000000e+00 -6.8486000000e+00 -3.0550000000e-02  4.4449500000e+00 -4.0532000000e+00 -1.9463000000e-01  2.3510100000e+00 -3.4032800000e+00 -8.6498000000e-01  2.5618700000e+00 -4.8228900000e+00 -4.3609000000e-01  2.8662900000e+00  1.0426800000e+00 -3.6165000000e-01  1.9848100000e+00  1.0950800000e+00 -2.4159000000e-01  1.0366200000e+00  1.6796500000e+00  2.5789000000e-01  2.3407200000e+00 -8.4846500000e+00  3.9027000000e-01  3.3235300000e+00 -7.9440700000e+00 -2.0816000000e-01  2.8079000000e+00 -8.6617100000e+00  1.1227400000e+00  2.7333000000e+00 -1.8759800000e+00  3.9305900000e+00 -1.2601800000e+00 -2.3986900000e+00  4.1233400000e+00 -4.8181000000e-01 -2.4418000000e+00  4.1693500000e+00 -1.9943900000e+00 -3.4656500000e+00  3.9824000000e+00  8.3511000000e-01 -3.7628400000e+00  3.0879200000e+00  6.6832000000e-01 -3.2131300000e+00  3.9831400000e+00  1.7584000000e+00  3.0674330000e+01 -9.9134900000e+00 -1.5724830000e+01  3.1392940000e+01 -1.0264120000e+01 -1.5198610000e+01  3.1067280000e+01 -9.1935400000e+00 -1.6218270000e+01 -1.4995000000e+00  1.6580000000e+00  2.4751000000e+00 -9.5796000000e-01  8.7963000000e-01  2.6059100000e+00 -2.3789000000e+00  1.3147000000e+00  2.3169000000e+00 -1.4731900000e+00  1.1794000000e+00 -6.3374000000e-01 -1.5474500000e+00  2.0730100000e+00 -9.6867000000e-01 -1.7294000000e+00  1.2458200000e+00  2.8614000000e-01  1.1810800000e+00  3.3339000000e-01 -6.5929000000e-01  1.3288900000e+00 -2.3266000000e-01 -1.4169000000e+00  2.7097000000e-01  6.1708000000e-01 -7.4560000000e-01
ENERGY -9.171684851573e+02
EMD0 -3.078403840000e+02
FORCES   3.9878000000e-03 -3.2800000000e-05 -6.2436000000e-03  2.6398000000e-03  1.8748000000e-03 -2.2986000000e-03 -1.0284700000e-02 -3.9424000000e-03  9.3295000000e-03 -1.5187000000e-03 -1.1613200000e-02  1.0743000000e-03 -3.4413000000e-03  1.2798000000e-03  9.4440000000e-03  3.3199000000e-03  9.3823000000e-03 -1.2342700000e-02 -3.8818000000e-03  2.8406000000e-03 -4.5343000000e-03 -4.9333000000e-03  4.5751000000e-03  6.9710000000e-04  8.2926000000e-03 -7.8998000000e-03  4.5177000000e-03 -1.6790000000e-04 -2.4264000000e-03  4.7430000000e-03 -1.5010800000e-02  4.3712000000e-03  4.3648000000e-03  1.1070300000e-02 -5.6543000000e-03 -8.5818000000e-03  7.8276000000e-03  1.8935000000e-03 -1.7434600000e-02 -1.7589000000e-03 -7.0230000000e-04  1.9183100000e-02 -3.4300000000e-05  4.4870000000e-04 -4.0795000000e-03 -4.5685000000e-03 -1.1461000000e-03  1.4426000000e-03  9.4640000000e-04  7.3998000000e-03  2.9306000000e-03  3.3794000000e-03 -5.0765000000e-03 -2.2004000000e-03 -6.2655000000e-03  7.8217000000e-03  1.6898100000e-02  4.6618000000e-03 -5.1670000000e-03 -1.8341500000e-02 -2.5991000000e-03  1.5840000000e-04  4.6426000000e-03 -6.7040000000e-04 -4.6568000000e-03 -9.0602000000e-03  1.2338600000e-02  1.5059500000e-02  8.7806000000e-03 -4.8811000000e-03 -5.7616000000e-03 -1.6135000000e-03 -3.6009000000e-03 -1.3885000000e-03 -1.3350000000e-04  7.8550000000e-04  4.4399000000e-03 -3.4809000000e-03  2.8154000000e-03 -3.0512000000e-03  3.6144000000e-03  2.3528000000e-03 -1.4703000000e-03  8.4528000000e-03 -8.1393000000e-03  2.5319000000e-03 -8.3130000000e-04  1.0812700000e-02  2.6328000000e-03 -7.4841000000e-03  2.1234000000e-03  1.5068600000e-02  5.2210000000e-04 -1.8475000000e-03 -1.9467800000e-02  8.4588000000e-03 -8.2140000000e-03 -1.7331000000e-03 -9.5285000000e-03 -8.3726000000e-03  9.1351000000e-03  5.4420000000e-04 -5.4833000000e-03  1.8631000000e-03 -3.3090000000e-04  1.8320000000e-02 -1.1586600000e-02 -1.1204000000e-03

JOB 126
COORDS  -2.7899500000e+00 -1.4943600000e+00  4.3654400000e+00 -3.0829100000e+00 -2.3916200000e+00  4.2063000000e+00 -2.0517900000e+00 -1.3734200000e+00  3.7681700000e+00 -3.0393800000e+00 -6.0892000000e-01  1.4290000000e-02 -2.5659300000e+00  2.9230000000e-02  5.4799000000e-01 -3.7451500000e+00 -9.1956000000e-01  5.8140000000e-01 -5.7351900000e+00  1.8598200000e+00  3.1363100000e+00 -5.3324800000e+00  1.9248500000e+00  2.2703800000e+00 -6.1669300000e+00  2.7045000000e+00  3.2642300000e+00 -4.6759800000e+00 -6.5362000000e-01  2.2089800000e+00 -4.1251000000e+00 -8.7380000000e-01  2.9601700000e+00 -5.0430600000e+00  2.0391000000e-01  2.4237300000e+00 -4.2458000000e-01 -7.4263000000e-01  3.0037000000e+00 -5.2345000000e-01 -7.8148000000e-01  2.0524200000e+00  3.9278000000e-01 -1.2088100000e+00  3.1792700000e+00 -4.2813800000e+00  2.1314800000e+00  8.9508000000e-01 -4.3525500000e+00  2.0096800000e+00 -5.1670000000e-02 -3.4002900000e+00  1.8259100000e+00  1.1108000000e+00 -2.5176000000e+00  3.9360300000e+00 -4.2161000000e-01 -2.8975700000e+00  3.4203200000e+00 -1.1328700000e+00 -3.2204400000e+00  4.0087100000e+00  2.2413000000e-01 -3.4208100000e+00  1.4636700000e+00 -1.8376800000e+00 -2.8798200000e+00  8.2377000000e-01 -1.3749600000e+00 -4.0866900000e+00  9.3862000000e-01 -2.2817000000e+00  3.0062270000e+01 -8.6046400000e+00 -1.6387320000e+01  2.9795110000e+01 -9.4501000000e+00 -1.6026700000e+01  2.9239470000e+01 -8.1577300000e+00 -1.6586110000e+01 -1.3250900000e+00  1.7861300000e+00  3.7126000000e+00 -9.5602000000e-01  9.1504000000e-01  3.8582900000e+00 -2.0697100000e+00  1.8346300000e+00  4.3121100000e+00 -1.4552900000e+00  1.6978400000e+00  1.0174300000e+00 -1.4720400000e+00  2.6285500000e+00  7.9442000000e-01 -1.2170200000e+00  1.6774000000e+00  1.9442700000e+00 -3.1310000000e-01 -7.0729000000e-01  2.8012000000e-01 -4.6671000000e-01  2.3394000000e-01  3.6210000000e-01 -1.0900200000e+00 -1.0389300000e+00 -1.7005000000e-01
ENERGY -9.171746483368e+02
EMD0 -3.230995610000e+02
FORCES   1.1451100000e-02  2.4603000000e-03  7.9841000000e-03  3.3943000000e-03  4.2409000000e-03 -6.8996000000e-03 -1.6594700000e-02 -6.3742000000e-03  8.1750000000e-04 -1.2996300000e-02  5.3900000000e-04  1.3156000000e-02  1.5751000000e-03 -5.4781000000e-03 -6.9140000000e-03  1.2659700000e-02  6.0120000000e-04 -8.6314000000e-03  4.1517000000e-03 -9.4340000000e-04 -9.0130000000e-03 -6.3248000000e-03 -8.3803000000e-03  1.4202300000e-02  2.8252000000e-03  1.1895000000e-03 -4.2360000000e-03 -4.6853000000e-03  3.4828000000e-03  6.4620000000e-03 -4.1341000000e-03  3.7138000000e-03 -1.1083900000e-02  8.2968000000e-03  2.3595000000e-03 -1.3811000000e-03  1.7281000000e-03  2.4929000000e-03 -1.8133400000e-02 -1.5963000000e-03  2.5793000000e-03  2.2130000000e-02 -1.3117000000e-03  2.6760000000e-04 -3.6756000000e-03  8.3442000000e-03 -7.2282000000e-03 -4.4350000000e-03  2.5965000000e-03  5.4765000000e-03  8.4771000000e-03 -9.3492000000e-03  1.5808000000e-03 -3.0143000000e-03 -5.8847000000e-03 -3.2448000000e-03 -5.3751000000e-03 -1.6505000000e-03  5.7126000000e-03  7.9204000000e-03  3.9369000000e-03 -2.5830000000e-03 -3.0234000000e-03  4.7474000000e-03 -9.7934000000e-03  6.4550000000e-04 -8.1930000000e-04  6.8534000000e-03 -3.6387000000e-03  1.2922000000e-03 -4.9800000000e-04  2.9203000000e-03  3.5602000000e-03  1.2799000000e-03 -2.5480000000e-04 -3.7849000000e-03  3.9190000000e-03 -1.7325000000e-03  2.2460000000e-04 -5.1989000000e-03  1.9873000000e-03  1.9191000000e-03 -1.1283000000e-03 -4.0616000000e-03 -8.8809000000e-03  1.0132300000e-02  1.6621000000e-03  5.0121000000e-03 -5.5230000000e-03  1.5874000000e-03  2.8700000000e-03  9.0561000000e-03  6.5501000000e-03  6.9510000000e-04 -1.0263800000e-02  1.6588600000e-02  1.7241000000e-03 -8.5670000000e-04 -1.9628400000e-02 -5.1530000000e-03  5.6503000000e-03 -7.2136000000e-03 -4.0087000000e-03 -1.4800900000e-02  5.7106000000e-03  4.1700000000e-03  8.7075000000e-03  3.5442000000e-03

JOB 127
COORDS  -3.9953100000e+00 -2.4985600000e+00  2.1566100000e+00 -4.1662000000e+00 -3.4032700000e+00  1.8948200000e+00 -3.1568600000e+00 -2.5362000000e+00  2.6168500000e+00 -3.3229200000e+00  8.1480000000e-01  1.2617900000e+00 -2.4536700000e+00  5.9094000000e-01  1.5942300000e+00 -3.9098800000e+00  6.6121000000e-01  2.0021400000e+00 -3.4973700000e+00  3.5779500000e+00  1.4385400000e+00 -3.2530600000e+00  2.7154900000e+00  1.1028400000e+00 -3.9461200000e+00  4.0019100000e+00  7.0702000000e-01 -4.9974900000e+00 -7.6540000000e-02  2.9417900000e+00 -4.8315500000e+00 -8.6936000000e-01  2.4317600000e+00 -5.0745300000e+00 -3.8397000000e-01  3.8450000000e+00 -1.6646600000e+00 -2.7478800000e+00  3.4587000000e+00 -1.2339000000e+00 -1.9489800000e+00  3.7627200000e+00 -1.1276100000e+00 -3.4584200000e+00  3.8093200000e+00 -2.1077000000e+00  6.9172000000e-01 -2.3757200000e+00 -2.6940800000e+00  1.1141900000e+00 -3.0033400000e+00 -2.6852200000e+00  3.8456000000e-01 -1.6768900000e+00 -1.0395000000e-01  1.6225800000e+00 -8.8781000000e-01  6.8328000000e-01  1.4935500000e+00 -1.4168200000e+00 -8.0114000000e-01  1.1976800000e+00 -1.3874300000e+00 -5.1781300000e+00  5.8907000000e-01 -9.1422000000e-01 -4.6773800000e+00  4.6707000000e-01 -1.0762000000e-01 -6.0603500000e+00  8.1245000000e-01 -6.1754000000e-01  2.7167630000e+01 -6.9313100000e+00 -1.5837340000e+01  2.7659170000e+01 -6.9239000000e+00 -1.5016020000e+01  2.7664580000e+01 -6.3566700000e+00 -1.6419630000e+01 -1.3839100000e+00  4.1008900000e+00  3.0278300000e+00 -1.9756200000e+00  4.0903500000e+00  2.2755000000e+00 -1.9638500000e+00  4.1252800000e+00  3.7889500000e+00 -7.0460000000e-01  1.4267300000e+00  1.8119800000e+00 -5.2924000000e-01  1.5654500000e+00  8.8126000000e-01 -8.4077000000e-01  2.3062700000e+00  2.1642300000e+00 -2.6483000000e-01 -5.2721000000e-01  3.8885300000e+00 -4.3029000000e-01  8.8760000000e-02  3.1747800000e+00  6.6299000000e-01 -4.1269000000e-01  4.0941200000e+00
ENERGY -9.171676163089e+02
EMD0 -3.099739380000e+02
FORCES   1.3418700000e-02  1.4739000000e-03  6.3898000000e-03  4.9448000000e-03 -1.6703000000e-03  3.0820000000e-03 -1.4881200000e-02 -8.2800000000e-05 -8.0153000000e-03 -4.3623000000e-03 -4.7404000000e-03  1.8816200000e-02 -1.2427100000e-02 -3.2981000000e-03  3.5008000000e-03  1.0664500000e-02 -4.9791000000e-03 -1.3277500000e-02 -5.5160000000e-04 -1.2647300000e-02  6.2634000000e-03  1.8568000000e-03  2.1132600000e-02 -3.1057000000e-03  1.6905000000e-03 -5.4301000000e-03 -1.3627000000e-03  8.9397000000e-03 -2.9503000000e-03 -8.0604000000e-03  1.9900000000e-04  1.9390500000e-02  4.6779000000e-03 -2.7450000000e-04 -3.8331000000e-03 -2.1361000000e-03  2.9322000000e-03  1.4411200000e-02 -2.7463000000e-03 -8.5021000000e-03 -1.6620900000e-02  3.7000000000e-06  3.8388000000e-03  4.5075000000e-03  2.6991000000e-03  4.7626000000e-03  3.9688000000e-03 -7.7190000000e-04 -1.8079000000e-03 -2.9563000000e-03  1.9841000000e-03  6.4844000000e-03  4.6180000000e-03 -3.0645000000e-03 -9.6001000000e-03 -1.8270000000e-03 -7.1405000000e-03 -4.2102000000e-03 -2.5305000000e-03 -4.9204000000e-03  1.1420400000e-02 -1.3040000000e-03  1.0690800000e-02  3.9022000000e-03 -1.2452000000e-03  3.2491000000e-03 -1.2890800000e-02  4.1990000000e-04 -6.5080000000e-03  3.4058000000e-03 -3.7290000000e-04  4.0276000000e-03 -3.0945000000e-03 -1.9467000000e-03 -5.8290000000e-04  1.7312000000e-03  2.8788000000e-03 -4.5136000000e-03  1.3634000000e-03 -9.3210000000e-04  5.0964000000e-03 -1.1156800000e-02  4.8360000000e-03 -4.8533000000e-03  1.2677300000e-02 -4.8070000000e-03  7.9406000000e-03 -1.0257000000e-03  9.2130000000e-04 -2.0198000000e-03  3.6978000000e-03  6.7068000000e-03 -1.0335300000e-02 -1.1971000000e-02  5.2605000000e-03  1.7074500000e-02  2.0000000000e-05 -8.7670000000e-03 -1.4725100000e-02 -5.3815000000e-03  3.1410000000e-04 -6.9467000000e-03  4.7445000000e-03 -1.0798800000e-02  1.3102900000e-02 -5.5700000000e-04  2.8997000000e-03 -3.5126000000e-03

JOB 128
COORDS  -3.4078300000e+00 -2.4327600000e+00  9.4759000000e-01 -2.7961000000e+00 -2.3792800000e+00  2.1332000000e-01 -2.9280700000e+00 -2.9087500000e+00  1.6254500000e+00 -4.6605500000e+00  3.1637700000e+00  1.0032000000e+00 -5.1470600000e+00  2.7124900000e+00  3.1336000000e-01 -4.8257000000e+00  2.6461800000e+00  1.7912700000e+00 -1.9921500000e+00  3.7115200000e+00  1.5571000000e+00 -1.9962600000e+00  2.9710400000e+00  2.1636600000e+00 -2.9172500000e+00  3.8811500000e+00  1.3792000000e+00 -5.1237300000e+00  1.3843000000e-01  1.7180400000e+00 -4.5247600000e+00 -4.6640000000e-01  1.2802600000e+00 -5.6160300000e+00 -4.1085000000e-01  2.3280800000e+00 -1.6020400000e+00 -2.4473100000e+00  3.1641900000e+00 -1.9630100000e+00 -1.8039600000e+00  3.7741400000e+00 -1.2180000000e+00 -1.9227900000e+00  2.4616100000e+00 -9.5560000000e-01 -1.3663400000e+00 -1.1737500000e+00 -3.8660000000e-01 -1.4832500000e+00 -1.9345400000e+00 -1.3463400000e+00 -5.0125000000e-01 -1.2969900000e+00 -1.2555000000e-01 -9.6542000000e-01  1.3724100000e+00  4.1234000000e-01 -1.7405700000e+00  1.2110200000e+00 -6.7757000000e-01 -8.9006000000e-01  5.9406000000e-01 -2.2868500000e+00  1.0580800000e+00 -8.7683000000e-01 -2.6383700000e+00  1.8235400000e+00 -1.3315200000e+00 -1.7895400000e+00  1.4215700000e+00 -1.4417000000e-01  2.3006540000e+01 -5.0445900000e+00 -1.4361690000e+01  2.2682680000e+01 -5.7776400000e+00 -1.3838250000e+01  2.2362380000e+01 -4.3497000000e+00 -1.4225940000e+01  3.6631000000e-01  2.8791500000e+00  9.0490000000e-02 -3.9738000000e-01  3.3040800000e+00  4.8093000000e-01  1.0087700000e+00  3.5820900000e+00 -6.2400000000e-03 -7.8673000000e-01  1.4470200000e+00  2.2490900000e+00 -5.3535000000e-01  5.6074000000e-01  1.9891800000e+00 -2.0116000000e-01  2.0181100000e+00  1.7519000000e+00 -2.3984600000e+00 -2.0214000000e-01  4.3783000000e+00 -1.8045500000e+00  5.1618000000e-01  4.1603300000e+00 -3.2727500000e+00  1.5081000000e-01  4.2131000000e+00
ENERGY -9.171496721013e+02
EMD0 -2.826650700000e+02
FORCES   3.4083000000e-03 -5.1233000000e-03  7.9092000000e-03  5.0760000000e-04 -1.4847000000e-03  8.0881000000e-03 -1.4572000000e-03 -3.7860000000e-04 -1.5424100000e-02  1.9071000000e-03 -3.8863000000e-03 -1.8559000000e-03 -9.5670000000e-04  1.3479000000e-03  1.8389000000e-03  1.1404000000e-03  6.4250000000e-03 -1.5908000000e-03 -7.4607000000e-03 -4.9571000000e-03  1.2150000000e-04 -4.0404000000e-03  7.6499000000e-03 -2.6484000000e-03  7.3010000000e-03 -2.4216000000e-03  1.0383900000e-02  1.9982000000e-03 -6.0578000000e-03 -6.0991000000e-03 -8.4461000000e-03  6.1787000000e-03  5.0160000000e-03  3.2239000000e-03  5.2080000000e-04  4.3500000000e-05  2.1389000000e-03  2.0274000000e-02  5.4375000000e-03  3.3848000000e-03 -5.5284000000e-03 -5.7896000000e-03 -5.9242000000e-03 -6.4201000000e-03 -1.3702000000e-03 -1.7645000000e-03  4.7816000000e-03  2.3309000000e-03 -3.2597000000e-03  5.7348000000e-03 -1.4192000000e-03  1.4449400000e-02 -1.3627100000e-02  2.7337000000e-03  2.8659000000e-03  3.5542000000e-03 -4.0382000000e-03 -6.4140000000e-03 -1.6287000000e-03 -1.2729000000e-03 -2.3750000000e-03  5.4760000000e-03  1.3007000000e-02 -2.3689000000e-03  2.0118000000e-03  6.7900000000e-04  1.4892000000e-03  1.0291000000e-03  3.2549000000e-03 -1.7077000000e-03 -2.8633000000e-03 -7.7708000000e-03  3.2115000000e-03  2.2650000000e-04 -2.2131000000e-03 -2.6696000000e-03  4.8455000000e-03 -2.7740000000e-04 -5.4270000000e-04 -5.0715000000e-03  2.4905000000e-03 -4.3298000000e-03  3.5760000000e-04 -1.4489000000e-03  1.7473700000e-02 -1.0882800000e-02 -5.4860000000e-04 -5.0211000000e-03  2.1358000000e-03  2.2047000000e-03  9.8730000000e-03 -5.7466000000e-03 -5.1874000000e-03 -6.0087000000e-03  1.0677300000e-02 -6.4468000000e-03 -1.0403500000e-02 -6.2900000000e-04 -2.4870000000e-04  5.7398000000e-03 -7.4241000000e-03 -4.4417000000e-03 -8.9828000000e-03 -2.0254000000e-03  3.3686000000e-03  4.0203000000e-03  2.9301000000e-03  1.1839000000e-03

JOB 129
COORDS  -5.2555500000e+00 -1.3300400000e+00  2.7458500000e+00 -5.8573700000e+00 -1.9714000000e+00  2.3680900000e+00 -4.3896400000e+00 -1.7256000000e+00  2.6460100000e+00 -3.8189600000e+00  7.0423000000e-01 -1.6359300000e+00 -4.3438900000e+00  9.0483000000e-01 -2.4108100000e+00 -4.2949500000e+00  1.1107900000e+00 -9.1179000000e-01 -1.3233300000e+00  1.3405800000e+00 -8.2070000000e-01 -1.6255600000e+00  1.3308100000e+00  8.7480000000e-02 -2.1097600000e+00  1.1647000000e+00 -1.3372400000e+00 -5.1910700000e+00  1.2186000000e+00  1.1636300000e+00 -5.0470500000e+00  3.7960000000e-01  1.6013200000e+00 -5.2185400000e+00  1.8586800000e+00  1.8748000000e+00 -2.6608700000e+00 -3.1785300000e+00  2.4142800000e+00 -2.6545300000e+00 -3.9635400000e+00  1.8666000000e+00 -1.7395700000e+00 -2.9292400000e+00  2.4870600000e+00  2.9148000000e-01 -6.6013000000e-01 -1.4100000000e-01 -4.3510000000e-01 -2.3176000000e-01 -5.9356000000e-01  8.1770000000e-01  6.1020000000e-02  2.0435000000e-01 -4.7000000000e-03 -2.3063400000e+00  2.1741700000e+00  8.7866000000e-01 -2.4452500000e+00  2.5156700000e+00  1.2926000000e-01 -1.8728900000e+00  1.3313100000e+00  1.4119700000e+00  1.5360200000e+00  1.2322200000e+00  1.8796500000e+00  1.6633700000e+00  4.0682000000e-01  1.5261300000e+00  2.3618100000e+00  1.7026100000e+00  1.7521010000e+01 -3.1194500000e+00 -1.2051070000e+01  1.6883920000e+01 -3.2953100000e+00 -1.2743470000e+01  1.7319170000e+01 -3.7615700000e+00 -1.1370500000e+01  1.5052200000e+00  4.7393500000e+00 -2.4983000000e-01  6.4351000000e-01  4.3230300000e+00 -2.3080000000e-01  1.6259000000e+00  4.9995900000e+00 -1.1630400000e+00 -1.9202000000e-01  1.0892000000e-01  3.5499800000e+00 -1.7319000000e-01 -7.7245000000e-01  3.1770700000e+00  5.0098000000e-01  5.8009000000e-01  3.0874000000e+00 -2.2721600000e+00  1.0259100000e+00  1.7172200000e+00 -1.6465200000e+00  6.9055000000e-01  2.3593600000e+00 -2.8304400000e+00  2.7601000000e-01  1.5117800000e+00
ENERGY -9.171476414949e+02
EMD0 -2.743239290000e+02
FORCES  -1.0634000000e-03 -6.0038000000e-03  7.9126000000e-03  4.2212000000e-03 -8.2520000000e-04 -3.0810000000e-04 -1.0613000000e-02  8.1945000000e-03 -4.9485000000e-03  4.5025000000e-03 -2.1335000000e-03  5.2486000000e-03 -2.0760000000e-03  2.6899000000e-03  4.7083000000e-03  4.4213000000e-03 -8.6680000000e-04 -1.4656400000e-02 -1.3393100000e-02  4.5950000000e-04  1.0304500000e-02  2.2640000000e-03 -5.6982000000e-03 -1.6893300000e-02  8.2103000000e-03  3.7330000000e-04  8.0289000000e-03 -1.3244000000e-03 -2.9888000000e-03  7.8872000000e-03  7.6010000000e-03  1.1376100000e-02 -5.7901000000e-03 -2.1670000000e-03 -3.8295000000e-03  1.6919000000e-03  1.0332400000e-02  7.0800000000e-04  2.1787000000e-03  3.8613000000e-03  1.2231000000e-03  5.3490000000e-04 -1.0897300000e-02 -6.5268000000e-03 -2.0719000000e-03 -1.4552400000e-02  2.2386200000e-02 -1.0491800000e-02  9.0844000000e-03 -1.1093500000e-02  6.1124000000e-03  5.0932000000e-03 -1.1950000000e-04 -3.5348000000e-03 -5.2162000000e-03  2.4385000000e-03 -1.3358200000e-02 -1.2096000000e-03  8.4535000000e-03 -3.3291000000e-03  5.3618000000e-03 -1.1564100000e-02  2.3926600000e-02 -4.8400000000e-03 -1.5230000000e-03 -2.3510000000e-03 -3.4151000000e-03 -3.1951000000e-03  3.6472000000e-03  2.3681000000e-03 -3.6195000000e-03 -2.3206000000e-03  2.7984000000e-03  2.7184000000e-03  3.4400000000e-05  7.9200000000e-05 -2.9834000000e-03  4.7943000000e-03 -2.8774000000e-03  2.6550000000e-04 -4.8284000000e-03  7.6200000000e-04  4.1149000000e-03  8.9550000000e-04  4.9458000000e-03  2.2041000000e-03 -2.9658000000e-03 -4.0572000000e-03 -2.6661000000e-03  1.5406000000e-03  3.8813000000e-03 -1.0343100000e-02  1.4130000000e-03  3.8083000000e-03  1.2330300000e-02  1.3259000000e-03 -3.6899000000e-03 -4.0564000000e-03  1.7203000000e-03  5.5055000000e-03  2.7153000000e-03  5.6837000000e-03 -1.2821700000e-02 -1.5599000000e-03 -1.3090500000e-02  5.1120000000e-03 -1.0550000000e-03  1.3489000000e-03

JOB 130
COORDS  -4.4148600000e+00 -6.2552000000e-01  1.8427700000e+00 -3.7109300000e+00 -1.9806000000e-01  2.3306200000e+00 -4.1429700000e+00 -1.5412700000e+00  1.7819600000e+00 -2.0227300000e+00 -1.0960400000e+00 -1.0419400000e+00 -2.7632500000e+00 -4.9011000000e-01 -1.0151200000e+00 -2.1211200000e+00 -1.6302800000e+00 -2.5381000000e-01  2.9390000000e-02  6.7268000000e-01 -1.9754500000e+00  3.0698000000e-01  3.8834000000e-01 -2.8462700000e+00 -7.0180000000e-01  9.5170000000e-02 -1.7561700000e+00 -3.9005900000e+00  8.7972000000e-01 -4.5696000000e-01 -4.1405600000e+00  4.1231000000e-01  3.4315000000e-01 -4.7292300000e+00  1.0048800000e+00 -9.1947000000e-01 -2.4508500000e+00 -2.7671400000e+00  1.1717000000e+00 -1.7825200000e+00 -2.3211700000e+00  1.6919700000e+00 -1.9978400000e+00 -3.5214600000e+00  7.9484000000e-01  8.0625000000e-01 -1.0490500000e+00  6.3228000000e-01  5.6777000000e-01 -7.6190000000e-01 -2.4914000000e-01  1.6303800000e+00 -5.9848000000e-01  8.1671000000e-01 -5.2214000000e-01 -1.1068100000e+00  3.0342300000e+00 -2.3043000000e-01 -1.9740600000e+00  3.3153300000e+00  3.2100000000e-02 -8.9936000000e-01  2.2818900000e+00  3.1703400000e+00  2.8099000000e-01  1.3138700000e+00  4.1011400000e+00  3.4293000000e-01  1.5283400000e+00  2.9944200000e+00  1.0571900000e+00  7.8210000000e-01  1.0882290000e+01 -1.2049800000e+00 -9.0203700000e+00  1.0378010000e+01 -5.6087000000e-01 -8.5233200000e+00  1.0312800000e+01 -1.4428800000e+00 -9.7520200000e+00  1.7226600000e+00  2.6556800000e+00  1.9146000000e-01  1.5694500000e+00  2.5393000000e+00 -7.4620000000e-01  8.9320000000e-01  2.9925900000e+00  5.3017000000e-01 -2.2435700000e+00  1.1018200000e+00  3.3830700000e+00 -1.5296000000e+00  4.6514000000e-01  3.3495400000e+00 -2.1228800000e+00  1.5540000000e+00  4.2180500000e+00 -1.0614600000e+00  2.3466400000e+00  9.4994000000e-01 -1.6585200000e+00  2.0453500000e+00  1.6347600000e+00 -1.0572700000e+00  1.6380600000e+00  3.0641000000e-01
ENERGY -9.171698710861e+02
EMD0 -3.217447060000e+02
FORCES  -3.2810000000e-03 -2.5698000000e-03  4.8377000000e-03 -2.3136000000e-03 -9.2115000000e-03 -1.1886100000e-02  9.4850000000e-04  7.6505000000e-03  4.8500000000e-03 -1.1646500000e-02 -2.9647000000e-03  8.8746000000e-03  9.9566000000e-03 -1.2879100000e-02  2.5681000000e-03  3.1900000000e-04  7.4686000000e-03 -4.5334000000e-03 -1.0268500000e-02 -3.2110000000e-04  9.4440000000e-04 -3.0441000000e-03 -2.9313000000e-03  2.3627000000e-03  1.4736200000e-02  7.9302000000e-03 -7.1491000000e-03 -7.3980000000e-04  4.4210000000e-04  1.1740500000e-02  4.8612000000e-03  7.2891000000e-03 -1.6354300000e-02 -5.6920000000e-04 -3.5364000000e-03  3.8474000000e-03 -4.1539000000e-03 -5.3010000000e-04  2.1167000000e-03 -4.2305000000e-03 -8.9231000000e-03 -1.1365000000e-02  4.4676000000e-03  6.2251000000e-03  2.7755000000e-03  5.6379000000e-03  2.9902000000e-03 -2.8846000000e-03  7.1695000000e-03 -1.9748000000e-03  4.2005000000e-03 -1.5015700000e-02 -5.2980000000e-04 -6.0460000000e-03  1.0629000000e-02  6.8480000000e-03 -3.9051000000e-03 -5.5840000000e-04 -7.2560000000e-04 -8.5066000000e-03 -7.5818000000e-03 -5.1652000000e-03  1.9281500000e-02 -4.6328000000e-03  9.3500000000e-05  3.2813000000e-03 -8.1290000000e-04  7.0858000000e-03 -3.6660000000e-03  1.1714600000e-02 -1.4352600000e-02  6.0060000000e-04  3.4198000000e-03 -1.4559000000e-03  7.6970000000e-04 -1.8679000000e-03 -2.2005000000e-03 -4.7050000000e-03 -1.5525000000e-03  3.6524000000e-03  3.9387000000e-03 -1.1267500000e-02  2.1071000000e-03  6.7377000000e-03  1.4626000000e-03  2.5097000000e-03  3.6819000000e-03  8.5261000000e-03  3.6167000000e-03 -1.0265300000e-02  2.3237000000e-03 -2.4145000000e-03  3.6153000000e-03 -7.1922000000e-03  1.3263800000e-02  1.6030000000e-04  5.4971000000e-03 -4.3533000000e-03 -1.7740000000e-04 -5.2846000000e-03  1.1848000000e-03  4.2854000000e-03  4.7065000000e-03 -3.1756000000e-03 -1.0570900000e-02 -3.6200000000e-04 -1.4260000000e-04  6.5442000000e-03

JOB 131
COORDS  -3.4743900000e+00 -1.3488900000e+00 -7.8310000000e-02 -3.4556500000e+00 -2.2810300000e+00  1.3848000000e-01 -2.7892200000e+00 -9.6192000000e-01  4.6668000000e-01 -2.3395000000e-01  3.9436000000e-01 -1.0656000000e+00 -9.2402000000e-01  5.7164000000e-01 -1.7048300000e+00 -6.6690000000e-01  4.7704000000e-01 -2.1592000000e-01  3.2333000000e-01 -2.4866200000e+00 -9.2728000000e-01  8.4887000000e-01 -2.6909900000e+00 -1.7007600000e+00  6.5750000000e-02 -1.5725200000e+00 -1.0468200000e+00 -2.5605900000e+00 -2.8980000000e-02 -2.2108000000e+00 -3.0635900000e+00 -3.2117000000e-01 -1.4506400000e+00 -3.1455200000e+00 -1.7174000000e-01 -2.9549100000e+00 -1.5330500000e+00 -5.4120000000e-02  1.4390500000e+00 -1.7573000000e+00  2.6350000000e-02  2.3661300000e+00 -7.9499000000e-01 -6.6341000000e-01  1.4226800000e+00  9.2746000000e-01 -2.2050300000e+00  1.5766100000e+00  7.0467000000e-01 -2.3801500000e+00  6.6232000000e-01  1.5235600000e+00 -1.4570300000e+00  1.5393400000e+00 -9.4730000000e-02 -1.9849500000e+00  4.2330400000e+00  3.2294000000e-01 -2.5221700000e+00  4.9062200000e+00  2.5157000000e-01 -2.3229900000e+00  3.4071800000e+00  2.2549300000e+00  2.5048000000e-01  1.1363900000e+00  2.4549900000e+00  7.9150000000e-01  1.9002700000e+00  2.2613600000e+00  8.6256000000e-01  4.0049000000e-01  3.5726000000e+00  7.2221000000e-01 -5.4553000000e+00  4.4029800000e+00  1.0375800000e+00 -5.8120200000e+00  3.0091800000e+00  1.4958500000e+00 -5.4389400000e+00  1.8327500000e+00  2.0614800000e+00 -8.9266000000e-01  1.0276400000e+00  1.5579500000e+00 -1.0130000000e+00  1.7325800000e+00  2.8164400000e+00 -1.4725200000e+00 -1.9295300000e+00  1.7181000000e-01  4.2966600000e+00 -1.4008100000e+00 -5.8039000000e-01  4.5628900000e+00 -2.7966900000e+00 -2.8900000000e-03  4.6623700000e+00  9.6910000000e-01  4.4196800000e+00 -2.0537100000e+00  1.3163100000e+00  5.2328100000e+00 -1.6869900000e+00  2.9930000000e-02  4.4564900000e+00 -1.8725100000e+00
ENERGY -9.171748174132e+02
EMD0 -3.259926840000e+02
FORCES   7.5030000000e-03  6.8110000000e-03 -5.0430000000e-04  3.2125000000e-03  2.6880000000e-03  6.0533000000e-03 -8.6781000000e-03 -1.3003500000e-02 -1.3558700000e-02 -9.3788000000e-03  2.8805000000e-03 -3.6560000000e-03  1.0224100000e-02  6.2734000000e-03  1.0342500000e-02  4.1990000000e-03 -3.8008000000e-03 -1.0753400000e-02  1.8994000000e-03  4.2581000000e-03  9.2296000000e-03 -2.8740000000e-03  4.6622000000e-03 -1.5229000000e-03  6.0686000000e-03 -1.6273700000e-02  4.3160000000e-03  2.8854000000e-03 -1.0207800000e-02  1.5482900000e-02  2.9189000000e-03  1.1997400000e-02 -1.0761300000e-02 -3.7709000000e-03 -2.0999000000e-03  4.3187000000e-03 -1.4740000000e-04  7.4511000000e-03  1.6809500000e-02  5.0617000000e-03 -9.1445000000e-03 -1.7125400000e-02 -1.1433700000e-02  7.9535000000e-03 -4.9952000000e-03  7.9675000000e-03 -5.0106000000e-03 -2.4392000000e-02 -9.2100000000e-05  1.4347400000e-02  1.1858700000e-02 -8.7203000000e-03 -1.0274000000e-02  4.2300000000e-05  2.3620000000e-03  2.6193000000e-03 -1.3490400000e-02  1.2684000000e-03 -1.8967000000e-03 -4.5748000000e-03 -1.9863000000e-03 -3.1600000000e-03  2.1208800000e-02 -8.3680000000e-04  5.4163000000e-03 -1.3300300000e-02  5.0360000000e-04  1.6386000000e-03 -2.9417000000e-03 -1.8378000000e-03 -6.8577000000e-03  1.4078200000e-02 -3.6920000000e-04 -2.9500000000e-03  2.4253000000e-03 -4.4495000000e-03  3.2205000000e-03  3.2350000000e-04  4.9281000000e-03 -2.1900000000e-05 -2.8485000000e-03 -8.7202000000e-03 -8.5540000000e-04 -3.6765000000e-03  9.6965000000e-03  1.2095400000e-02  2.4732000000e-03 -5.1727000000e-03 -9.7567000000e-03 -6.0980000000e-04  8.7215000000e-03 -5.8890000000e-04  3.8577000000e-03 -1.5638600000e-02  8.8288000000e-03  2.4890000000e-03  4.0928000000e-03 -4.7941000000e-03  7.9860000000e-04  2.7644000000e-03 -5.9977000000e-03  1.6198000000e-03 -5.9888000000e-03 -8.3760000000e-04 -1.6610000000e-04  3.8179000000e-03  4.3900000000e-03  1.1497000000e-03

JOB 132
COORDS  -1.1121400000e+00 -7.0324000000e-01 -2.0237900000e+00 -5.5856000000e-01 -1.4812800000e+00 -2.0903500000e+00 -1.0765100000e+00 -4.6182000000e-01 -1.0982200000e+00  1.0553400000e+00  1.5491300000e+00 -9.4330000000e-01  5.8604000000e-01  1.7880800000e+00 -1.7426000000e+00  3.7602000000e-01  1.2172600000e+00 -3.5625000000e-01  1.8063300000e+00 -1.1862500000e+00 -8.7588000000e-01  2.7286600000e+00 -1.3464700000e+00 -1.0755500000e+00  1.7128200000e+00 -2.3469000000e-01 -9.2087000000e-01 -3.9041500000e+00 -1.1219800000e+00 -1.6973000000e+00 -3.0066000000e+00 -9.8864000000e-01 -2.0020000000e+00 -3.8737300000e+00 -9.1502000000e-01 -7.6323000000e-01 -8.1849000000e-01  6.1710000000e-02  5.6954000000e-01 -1.6309300000e+00 -1.7578000000e-01  1.0164900000e+00 -1.2525000000e-01 -2.8151000000e-01  1.1333300000e+00  9.0938000000e-01 -9.9128000000e-01  2.1718400000e+00  1.4398000000e+00 -1.5944300000e+00  1.6511600000e+00  1.5326400000e+00 -3.3973000000e-01  2.4931800000e+00 -1.0242800000e+00 -1.8716500000e+00  3.8136700000e+00 -5.1501000000e-01 -2.0618000000e+00  4.6015300000e+00 -3.9536000000e-01 -1.4739900000e+00  3.2115400000e+00  2.8260800000e+00  1.0353400000e+00  2.7020200000e+00  2.9472500000e+00  1.4143200000e+00  1.8314300000e+00  3.6480700000e+00  1.2149000000e+00  3.1584500000e+00 -4.9096900000e+00  5.4210000000e-01 -3.7213800000e+00 -5.8138000000e+00  2.2786000000e-01 -3.7298600000e+00 -4.4432500000e+00 -8.3830000000e-02 -3.1674200000e+00  3.3491200000e+00  1.9301300000e+00  2.8215000000e-01  2.4623400000e+00  2.0232300000e+00 -6.5960000000e-02  3.8865300000e+00  1.7229400000e+00 -4.8237000000e-01 -3.0100600000e+00 -9.8451000000e-01  2.0746800000e+00 -2.2313000000e+00 -1.0366600000e+00  2.6288100000e+00 -3.4657900000e+00 -1.8131500000e+00  2.2226200000e+00  4.6027800000e+00  1.8279100000e+00 -2.3878900000e+00  4.0478200000e+00  1.3401100000e+00 -2.9964100000e+00  5.4288300000e+00  1.9445300000e+00 -2.8572200000e+00
ENERGY -9.171701410278e+02
EMD0 -3.305786160000e+02
FORCES   5.4480000000e-03  3.7513000000e-03  1.2374500000e-02 -2.8337000000e-03  1.3959000000e-03  2.5386000000e-03 -5.2124000000e-03 -5.4618000000e-03 -1.4060900000e-02  5.0620000000e-04  1.3492000000e-03  5.9614000000e-03 -1.1999000000e-03 -1.1631000000e-03  4.3667000000e-03  1.4667200000e-02  1.7189000000e-03 -1.0220600000e-02 -4.8846000000e-03  9.1975000000e-03 -3.5391000000e-03 -1.9622000000e-03  4.9534000000e-03  1.3390000000e-04  5.9956000000e-03 -1.1926200000e-02  2.8458000000e-03  5.2046000000e-03  1.9312000000e-03 -1.9794000000e-03 -1.6417000000e-02  2.9280000000e-03  4.6793000000e-03  4.9114000000e-03 -1.4627000000e-03 -2.7185000000e-03  6.1343000000e-03 -1.2063600000e-02  1.2785700000e-02  1.5387600000e-02 -2.9243000000e-03  3.1304000000e-03 -1.3073700000e-02  8.9761000000e-03 -6.3527000000e-03 -4.4303000000e-03  6.7953000000e-03  3.2870000000e-04  1.7742000000e-03  5.0953000000e-03  6.7742000000e-03 -1.3177100000e-02 -1.6751800000e-02 -9.8733000000e-03  5.7552000000e-03  2.0311000000e-03 -5.1215000000e-03  4.7723000000e-03  6.9800000000e-04 -3.7323000000e-03 -1.3894500000e-02  1.0350000000e-03  6.7136000000e-03  6.3345000000e-03  9.9344000000e-03 -1.5631800000e-02 -6.9648000000e-03 -4.2617000000e-03  1.6106200000e-02  1.7329000000e-03  2.7130000000e-03 -4.2972000000e-03  4.1639000000e-03 -4.2352000000e-03  8.7556000000e-03  1.8300000000e-03 -1.0411000000e-03  7.7380000000e-04 -1.2951000000e-03  2.0845000000e-03 -9.6258000000e-03 -4.4132000000e-03  7.7000000000e-05 -5.8370000000e-03  8.0934000000e-03 -5.8550000000e-03  8.1135000000e-03 -9.6355000000e-03 -2.3332000000e-03  3.6730000000e-03 -1.5120000000e-04 -4.4491000000e-03  9.4372000000e-03  3.3177000000e-03  4.0820000000e-03 -1.6503800000e-02  1.2370000000e-03  1.0091000000e-03  1.7366000000e-03  1.5834000000e-03  5.1285000000e-03  1.9748000000e-03  5.4354000000e-03  5.8850000000e-04  2.1010000000e-04 -4.7393000000e-03 -3.5443000000e-03 -3.9199000000e-03

JOB 133
COORDS  -1.3692200000e+00  1.7872200000e+00 -2.8548700000e+00 -1.9688500000e+00  1.1471500000e+00 -2.4714900000e+00 -1.0319500000e+00  2.2787300000e+00 -2.1059300000e+00  1.3416200000e+00  4.4649000000e-01 -2.0720000000e+00  8.1962000000e-01  6.4201000000e-01 -2.8501500000e+00  7.1073000000e-01  4.5217000000e-01 -1.3521500000e+00  3.0025500000e+00 -1.3238300000e+00 -7.7521000000e-01  3.6925100000e+00 -1.5590500000e+00 -1.3955800000e+00  2.5036200000e+00 -6.3845000000e-01 -1.2196900000e+00 -5.9229500000e+00 -8.8177000000e-01 -4.0147000000e-01 -6.8353400000e+00 -1.1383000000e+00 -5.3548000000e-01 -5.4408500000e+00 -1.3420500000e+00 -1.0884600000e+00 -2.7953000000e-01  4.6641000000e-01  7.4900000000e-03 -9.5286000000e-01 -5.9980000000e-02 -4.2353000000e-01 -5.5530000000e-02 -2.8850000000e-02  7.9538000000e-01  1.1943600000e+00 -9.2873000000e-01  1.9748300000e+00  1.9493600000e+00 -1.3809800000e+00  1.5984200000e+00  1.5637200000e+00 -1.4875000000e-01  2.3888600000e+00 -8.5088000000e-01 -2.6623000000e+00  9.1272000000e-01 -7.8398000000e-01 -3.3574600000e+00  1.5673300000e+00 -6.6650000000e-02 -2.1301000000e+00  1.0468100000e+00  2.2098600000e+00  1.3816600000e+00  2.6732500000e+00  2.3376200000e+00  1.5337900000e+00  1.7368900000e+00  2.0502800000e+00  2.2520400000e+00  3.0382200000e+00 -3.7789100000e+00  6.9847000000e-01  3.7914000000e-01 -4.1344700000e+00  1.5739700000e+00  2.2649000000e-01 -4.5476400000e+00  1.2884000000e-01  4.0756000000e-01  2.5418100000e+00  2.0255700000e+00  7.9580000000e-02  2.0530200000e+00  1.6682100000e+00 -6.6177000000e-01  3.2539300000e+00  1.4017000000e+00  2.2066000000e-01 -2.2967500000e+00 -1.1051200000e+00 -1.0260800000e+00 -2.0579000000e+00 -1.9297800000e+00 -6.0284000000e-01 -2.5943900000e+00 -5.4489000000e-01 -3.0929000000e-01  4.2806600000e+00  2.0846000000e-01  1.0627500000e+00  3.9889700000e+00 -6.1382000000e-01  6.6904000000e-01  4.4076700000e+00 -3.5000000000e-04  1.9882200000e+00
ENERGY -9.171676698729e+02
EMD0 -3.221320440000e+02
FORCES  -3.4564000000e-03  1.8533000000e-03 -1.7970000000e-03  3.6320000000e-03  6.1448000000e-03  1.1289000000e-03 -2.3437000000e-03 -4.4307000000e-03 -2.0096000000e-03 -1.1852000000e-02 -2.5543000000e-03  9.2705000000e-03 -1.7853000000e-03 -1.0303000000e-03  6.9591000000e-03  1.2641000000e-02  2.0121000000e-03 -1.8585000000e-02 -1.2497600000e-02  8.6394000000e-03 -8.8430000000e-03 -8.1050000000e-04  4.4815000000e-03  1.0533000000e-03  1.3100400000e-02 -6.4939000000e-03  9.9162000000e-03  1.7570000000e-03  4.0957000000e-03  4.7268000000e-03  3.9859000000e-03 -3.1199000000e-03 -5.8869000000e-03 -7.9382000000e-03 -2.0560000000e-04  1.8578000000e-03  1.6400000000e-04 -7.2547000000e-03  4.5667000000e-03  7.6219000000e-03  5.4860000000e-03  7.5713000000e-03 -1.1676600000e-02 -1.6351000000e-03 -9.3946000000e-03  2.7041000000e-03  2.1495100000e-02  9.2385000000e-03 -1.0656000000e-03  2.4613000000e-03  6.1343000000e-03  2.3159000000e-03 -1.7493200000e-02 -1.4071400000e-02  3.0380000000e-03  5.1160000000e-03  3.0688000000e-03  4.4895000000e-03  1.7459000000e-03 -1.7300000000e-04 -3.4739000000e-03 -7.3375000000e-03 -2.8335000000e-03 -1.6468000000e-03 -1.1277000000e-03 -1.7095300000e-02  1.8162000000e-03 -8.6587000000e-03  1.6939500000e-02  2.8889000000e-03  2.3674000000e-03 -4.7814000000e-03 -2.4221000000e-03 -3.7623000000e-03 -2.8446000000e-03 -4.9850000000e-03 -2.7691000000e-03  3.9620000000e-04  9.3215000000e-03  6.0469000000e-03 -2.9000000000e-05  3.0487000000e-03 -2.5026000000e-03 -1.0658000000e-03  6.2105000000e-03 -4.5445000000e-03  6.1603000000e-03 -1.7183900000e-02  1.4319000000e-03 -2.8820000000e-04 -2.2663000000e-03  6.0170000000e-04  4.7190000000e-03 -7.0826000000e-03  9.2272000000e-03 -1.7936000000e-03  1.7008000000e-02 -9.5272000000e-03 -3.9840000000e-03 -6.9156000000e-03  6.1013000000e-03 -8.6963000000e-03  5.1690000000e-03  5.2364000000e-03  1.5699800000e-02 -1.5105000000e-03 -1.0096400000e-02 -5.2347000000e-03

JOB 134
COORDS   1.4332400000e+00  8.2860000000e-01 -3.1169200000e+00  8.7029000000e-01  2.3000000000e-01 -3.6078400000e+00  8.3207000000e-01  1.3152200000e+00 -2.5529800000e+00  3.1171800000e+00  2.9230000000e+00 -1.2876000000e+00  3.3173800000e+00  3.4317600000e+00 -2.0732900000e+00  3.2504700000e+00  2.0124200000e+00 -1.5508900000e+00  3.4691100000e+00 -1.2471000000e-01 -1.3962900000e+00  2.7096200000e+00  5.3620000000e-02 -1.9509200000e+00  3.2726100000e+00  3.1801000000e-01 -5.7069000000e-01 -5.1131800000e+00 -2.4352300000e+00  1.8526300000e+00 -4.2004600000e+00 -2.2058400000e+00  2.0274000000e+00 -5.5820400000e+00 -2.1752400000e+00  2.6456000000e+00 -5.8003000000e-01  1.4349800000e+00 -1.3924200000e+00 -1.2199300000e+00  8.2156000000e-01 -1.0312000000e+00 -3.1362000000e-01  1.9712800000e+00 -6.4567000000e-01  1.7720000000e-02 -2.6935600000e+00  1.5553900000e+00  6.9578000000e-01 -2.2650400000e+00  1.0330600000e+00  5.0050000000e-01 -3.1720800000e+00  2.2293200000e+00 -2.5561600000e+00 -1.2319100000e+00  2.2542800000e+00 -2.5347800000e+00 -8.5405000000e-01  1.3750800000e+00 -1.8271800000e+00 -1.8521300000e+00  2.2667300000e+00  5.6373000000e-01  2.0954000000e+00  1.1211700000e+00  1.4792900000e+00  2.3222200000e+00  1.2840400000e+00  2.7139000000e-01  1.6800800000e+00  1.9325100000e+00 -6.3977900000e+00 -7.8066000000e-01 -1.9819000000e-01 -7.1509900000e+00 -1.3335700000e+00  9.7000000000e-03 -5.7186000000e+00 -1.0595000000e+00  4.1595000000e-01  3.6517500000e+00  1.2061200000e+00  9.9478000000e-01  3.7385100000e+00  1.9706700000e+00  4.2543000000e-01  4.5369300000e+00  1.0504900000e+00  1.3241400000e+00 -3.5773700000e+00 -2.9426000000e-01 -2.1691000000e-01 -4.3632900000e+00 -3.5467000000e-01 -7.5996000000e-01 -3.8099900000e+00  3.2635000000e-01  4.7372000000e-01  5.9422100000e+00 -9.8641000000e-01 -2.4667000000e-01  5.1240000000e+00 -8.0992000000e-01 -7.1103000000e-01  6.6054500000e+00 -4.9911000000e-01 -7.3542000000e-01
ENERGY -9.171436876121e+02
EMD0 -2.767733270000e+02
FORCES  -1.1868100000e-02  4.6471000000e-03  4.4046000000e-03 -1.4219000000e-03  1.3506000000e-03  2.0641000000e-03  1.1840000000e-02 -2.6033000000e-03 -8.5466000000e-03 -2.7029000000e-03  5.5060000000e-04 -4.2907000000e-03  9.6650000000e-04 -4.8357000000e-03 -7.3380000000e-04  1.9890000000e-04  7.7098000000e-03  7.7249000000e-03 -5.0301000000e-03 -6.0621000000e-03 -1.4037000000e-03  9.4397000000e-03  5.0946000000e-03  1.9198500000e-02 -1.6270000000e-03  7.0041000000e-03 -1.7661300000e-02  1.2469000000e-02 -4.1017000000e-03  1.7754000000e-03 -1.5884700000e-02 -4.2192000000e-03  2.3800000000e-04  2.8756000000e-03  2.5454000000e-03 -2.5010000000e-03  4.2671000000e-03 -1.9724000000e-03  1.7461000000e-03  3.9458000000e-03  5.0351000000e-03  4.6995000000e-03 -7.5575000000e-03 -4.2414000000e-03 -8.5179000000e-03 -5.5410000000e-04 -1.4132000000e-03 -4.7416000000e-03  1.4365000000e-03 -3.9145000000e-03  5.4433000000e-03  1.5310000000e-03  3.9596000000e-03 -2.6789000000e-03  4.5162000000e-03  1.1807000000e-03 -4.1169000000e-03  7.4290000000e-04  2.9004000000e-03  6.9748000000e-03 -9.2683000000e-03  4.0574000000e-03  2.9000000000e-04  2.1352000000e-03 -9.6530000000e-04 -4.2361000000e-03 -5.4409000000e-03 -5.8870000000e-04  5.4925000000e-03  4.2739000000e-03  2.2293000000e-03 -2.9380000000e-04  5.8810000000e-04 -7.2430000000e-03  2.5858000000e-03  1.3160000000e-03  5.8600000000e-04  3.5015000000e-03 -2.0840000000e-03  1.2956700000e-02 -9.8789000000e-03  1.4040000000e-03 -3.7908000000e-03 -6.6180000000e-04  1.3836000000e-03 -1.4491300000e-02  2.0784000000e-03 -2.2969000000e-03  8.3665000000e-03 -3.1982000000e-03 -7.0193000000e-03 -6.8563000000e-03 -4.9324000000e-03  2.8509000000e-03  4.0491000000e-03  8.8101000000e-03  2.9436000000e-03 -6.5983000000e-03 -2.0700000000e-04 -6.1697000000e-03 -5.2473000000e-03 -4.4049000000e-03  1.1730500000e-02  3.5692000000e-03  6.0421000000e-03 -3.9296000000e-03  1.3519000000e-03 -6.3800000000e-05

JOB 135
COORDS   3.5857000000e-01  7.2431000000e-01 -1.7045000000e-01  1.0297700000e+00  1.3783000000e+00 -3.6543000000e-01 -4.4857000000e-01  1.2299200000e+00 -7.4920000000e-02  5.6531200000e+00  1.6723000000e-01  3.2896000000e-01  6.1946700000e+00 -5.8797000000e-01  5.5836000000e-01  4.8453600000e+00 -2.1277000000e-01 -1.6520000000e-02  2.8974700000e+00  1.6806100000e+00 -1.1837400000e+00  2.7325600000e+00  2.1658200000e+00 -1.9922000000e+00  3.7159600000e+00  2.0456200000e+00 -8.4749000000e-01 -4.0638600000e+00 -2.2031300000e+00  2.3959900000e+00 -3.6285300000e+00 -1.5109800000e+00  1.8983500000e+00 -3.4760800000e+00 -2.3759400000e+00  3.1314400000e+00 -1.9886300000e+00  2.0785900000e+00 -1.1386000000e-01 -2.6145700000e+00  1.3839300000e+00  9.0760000000e-02 -1.8166900000e+00  2.5020800000e+00  7.2717000000e-01 -8.1910000000e-02 -1.8592000000e+00 -8.9044000000e-01  1.5000000000e-02 -9.0771000000e-01 -8.5176000000e-01  7.2151000000e-01 -2.1653500000e+00 -1.3111800000e+00 -2.5351600000e+00 -5.3329000000e-01  5.5954000000e-01 -3.0423700000e+00 -9.0560000000e-01 -1.6182000000e-01 -1.6322000000e+00 -7.9353000000e-01  3.7740000000e-01 -7.0298000000e-01  3.6942200000e+00  2.0178800000e+00 -1.3326300000e+00  4.3041800000e+00  2.4022200000e+00 -1.5907000000e-01  4.2380800000e+00  1.4481300000e+00 -4.9590900000e+00 -3.4184400000e+00  3.5410000000e-02 -5.7550100000e+00 -3.8245700000e+00  3.7864000000e-01 -4.4567100000e+00 -3.1791500000e+00  8.1425000000e-01  5.6600100000e+00  2.8069000000e+00 -8.4276000000e-01  5.9295400000e+00  2.0693300000e+00 -2.9541000000e-01  6.3102500000e+00  2.8351200000e+00 -1.5446200000e+00 -3.3070700000e+00 -1.9057200000e+00 -1.6121300000e+00 -3.5962400000e+00 -2.6623800000e+00 -1.1021400000e+00 -2.3513300000e+00 -1.9408200000e+00 -1.5727000000e+00  2.9350700000e+00 -1.2978700000e+00 -5.8645000000e-01  2.6222800000e+00 -4.0846000000e-01 -7.5182000000e-01  2.3408600000e+00 -1.6410300000e+00  8.0920000000e-02
ENERGY -9.171654150644e+02
EMD0 -3.128692840000e+02
FORCES  -1.0066000000e-02  5.9566000000e-03  1.4510000000e-04 -1.2726600000e-02  2.4079000000e-03  2.7901000000e-03  1.9802300000e-02 -5.7814000000e-03  2.4045000000e-03 -3.7952000000e-03 -1.4775000000e-03  3.0530000000e-04 -3.8200000000e-03 -1.6131000000e-03 -1.9493000000e-03  1.0140900000e-02  3.2841000000e-03  3.4604000000e-03  9.6063000000e-03  2.4866000000e-03 -2.4390000000e-04  8.7730000000e-04  2.0689000000e-03  3.4849000000e-03 -1.1107900000e-02 -4.7471000000e-03 -2.8391000000e-03 -2.7500000000e-05  6.0123000000e-03 -2.7842000000e-03 -6.4219000000e-03 -1.2064100000e-02  7.2611000000e-03  1.4463000000e-03  3.7380000000e-03 -2.4762000000e-03 -2.7870000000e-03 -6.3368000000e-03 -1.3395000000e-03  2.3705000000e-03  1.1418600000e-02  2.2739000000e-03 -3.9663000000e-03 -1.0777600000e-02 -6.8580000000e-03  8.1904000000e-03  1.0043400000e-02  2.4955000000e-03 -6.6451000000e-03 -1.7347400000e-02 -3.1325000000e-03  1.5810000000e-04  5.5646000000e-03  3.3665000000e-03  8.5900000000e-04 -5.9656000000e-03 -1.6792000000e-02  1.2430400000e-02  3.2084000000e-03  1.6673300000e-02 -5.3188000000e-03  2.1098000000e-03 -6.7842000000e-03  5.3217000000e-03 -1.4603000000e-03  4.2229000000e-03  2.6734000000e-03  4.4350000000e-04 -5.2961000000e-03 -5.0613000000e-03  1.6674000000e-03  2.5097000000e-03 -1.6638000000e-03  4.6121000000e-03  3.1052000000e-03  2.1153000000e-03  3.5530000000e-04  4.9858000000e-03 -1.5218000000e-03 -3.5585000000e-03 -1.4070600000e-02  2.7692000000e-03 -1.7228000000e-03  2.4892000000e-03 -2.1220000000e-04  1.0767100000e-02 -8.9871000000e-03  1.8959000000e-03 -3.2050000000e-03  3.8380000000e-03 -7.6960000000e-03 -5.8269000000e-03 -7.5354000000e-03  1.6320200000e-02  9.7326000000e-03  4.4839000000e-03 -1.1721300000e-02  3.6378000000e-03  1.2028400000e-02 -3.0666000000e-03  1.0704000000e-03 -1.9246000000e-03  9.5590000000e-04 -1.1133400000e-02  5.8560000000e-03 -3.0780000000e-04  2.4318000000e-03 -5.1668000000e-03

JOB 136
COORDS   9.1140000000e-01  1.3727000000e-01 -1.1381700000e+00  1.4455500000e+00  8.9633000000e-01 -1.3721700000e+00  1.0543600000e+00  2.3700000000e-02 -1.9855000000e-01  5.3036500000e+00 -6.6722000000e-01  1.3456300000e+00  6.2294000000e+00 -4.4904000000e-01  1.4534000000e+00  4.9054100000e+00  1.3570000000e-01  1.0095300000e+00  2.7263400000e+00  2.1921700000e+00 -1.9536900000e+00  2.6556200000e+00  3.0957800000e+00 -2.2614400000e+00  3.6004100000e+00  1.9133900000e+00 -2.2266400000e+00 -2.9405200000e+00 -1.6340400000e+00  2.0982400000e+00 -2.5273200000e+00 -8.2868000000e-01  1.7869400000e+00 -3.7683900000e+00 -1.3459000000e+00  2.4827400000e+00  8.9170000000e-01  7.9157000000e-01  1.6583200000e+00  8.8152000000e-01  9.9110000000e-02  2.3190900000e+00 -3.1250000000e-02  9.4148000000e-01  1.4535500000e+00 -1.8973800000e+00  9.0086000000e-01 -1.3924800000e+00 -1.0055600000e+00  5.8963000000e-01 -1.5474800000e+00 -2.4489300000e+00  1.3298000000e-01 -1.5420600000e+00 -1.6026300000e+00  7.4609000000e-01  1.2284700000e+00 -2.0781200000e+00  1.5143700000e+00  1.5445100000e+00 -1.7552300000e+00  7.4134000000e-01  2.8353000000e-01 -4.2915500000e+00  1.3182100000e+00  1.2441200000e+00 -4.0129800000e+00  1.4155200000e+00  3.3353000000e-01 -5.2291700000e+00  1.1334200000e+00  1.1898000000e+00 -3.0028600000e+00 -3.3872800000e+00 -1.4860000000e-02 -3.3382300000e+00 -4.1428700000e+00  4.6768000000e-01 -2.8084600000e+00 -2.7379300000e+00  6.6100000000e-01  3.5734100000e+00 -8.7627000000e-01 -1.7303400000e+00  3.8073300000e+00 -1.4013700000e+00 -9.6497000000e-01  2.6203900000e+00 -7.9865000000e-01 -1.6859400000e+00 -3.2118300000e+00 -1.3765300000e+00 -1.9996300000e+00 -3.3571600000e+00 -2.0873100000e+00 -1.3752100000e+00 -3.1325300000e+00 -1.8141600000e+00 -2.8472300000e+00  3.6698400000e+00  1.8116700000e+00  6.6515000000e-01  3.3982100000e+00  2.0283000000e+00 -2.2677000000e-01  2.8519700000e+00  1.6271700000e+00  1.1269700000e+00
ENERGY -9.171761592961e+02
EMD0 -3.271492820000e+02
FORCES   4.1018000000e-03  5.6760000000e-03  7.5988000000e-03 -3.9378000000e-03 -1.0177700000e-02  6.6142000000e-03  1.8742000000e-03 -4.4560000000e-04 -1.3225000000e-02 -3.7298000000e-03  3.3042000000e-03  9.4640000000e-04 -2.5625000000e-03  3.4904000000e-03 -1.5328000000e-03  1.1484900000e-02 -1.0350000000e-02  2.5809000000e-03 -4.9872000000e-03 -5.8480000000e-03  5.0080000000e-04  6.9683000000e-03 -3.2515000000e-03 -5.3890000000e-04 -2.5164000000e-03  1.2690500000e-02  4.4415000000e-03  3.8992000000e-03  5.7875000000e-03 -5.9920000000e-04 -1.0193200000e-02 -1.4253900000e-02  1.1059000000e-03  2.0830000000e-03  2.3731000000e-03 -2.4990000000e-04 -3.0413400000e-02  5.6490000000e-03 -6.1340000000e-04 -4.2724000000e-03  3.9200000000e-04 -2.5337000000e-03  1.6653800000e-02 -3.5979000000e-03  1.4946000000e-03  2.8630000000e-03 -8.0434000000e-03 -1.2225000000e-02 -1.6241100000e-02  2.0290000000e-04  3.2985000000e-03  9.9543000000e-03  1.2053100000e-02  1.2514500000e-02  4.6774000000e-03 -5.9300000000e-05 -2.1380200000e-02  4.8655000000e-03  4.8030000000e-04 -7.6218000000e-03  5.5910000000e-04 -2.7082000000e-03  2.7170000000e-02  3.1728000000e-03  1.1042000000e-03  2.1351000000e-03 -3.1541000000e-03 -5.9120000000e-04  5.3613000000e-03  3.3814000000e-03 -9.3320000000e-04 -4.4777000000e-03  2.2406000000e-03  5.2778000000e-03  1.0415100000e-02  1.4352000000e-03  2.2513000000e-03  3.6704000000e-03 -5.0110000000e-04 -8.6022000000e-03 -1.3863700000e-02 -3.7151000000e-03 -5.0850000000e-04  8.0000000000e-07 -7.7497000000e-03 -5.8100000000e-05 -3.0553000000e-03  1.0095300000e-02 -1.5712000000e-03  3.4171000000e-03  4.0802000000e-03 -1.6962000000e-03  6.0303000000e-03 -4.5710000000e-04  1.0687300000e-02 -1.1934600000e-02 -1.8837000000e-03 -4.2924000000e-03  3.1413000000e-03 -7.1436000000e-03  3.7427000000e-03 -4.9072000000e-03  2.1210000000e-03 -1.0136000000e-03  4.0770000000e-03  6.9475000000e-03  2.8398000000e-03 -7.7560000000e-03

JOB 137
COORDS   2.7279000000e-01 -5.8462000000e-01 -5.6196000000e-01  6.7383000000e-01 -1.1539600000e+00 -1.2186500000e+00  9.6194000000e-01 -4.4476000000e-01  8.7460000000e-02  5.1291200000e+00 -7.7825000000e-01 -2.9565000000e-01  5.7715000000e+00 -7.5200000000e-01  4.1349000000e-01  4.3100100000e+00 -4.9698000000e-01  1.1200000000e-01  2.7851300000e+00  9.4740000000e-02 -2.2444300000e+00  2.9640500000e+00  9.8970000000e-01 -2.5329900000e+00  3.5409300000e+00 -4.0993000000e-01 -2.5449400000e+00 -3.9423000000e+00 -2.3519800000e+00  6.5721000000e-01 -4.8976400000e+00 -2.3076200000e+00  6.9685000000e-01 -3.7431500000e+00 -2.4063500000e+00 -2.7746000000e-01  1.6607300000e+00  2.6227500000e+00  1.4189700000e+00  1.8806500000e+00  2.5520100000e+00  2.3478700000e+00  7.5215000000e-01  2.9238100000e+00  1.4097100000e+00 -2.8329600000e+00  2.8033200000e+00  6.7087000000e-01 -3.6441900000e+00  3.2615000000e+00  4.5132000000e-01 -2.9373600000e+00  1.9329300000e+00  2.8649000000e-01 -1.4096500000e+00  1.8024600000e+00  2.6905100000e+00 -1.8250400000e+00  2.1851300000e+00  1.9176900000e+00 -2.0361200000e+00  1.1485900000e+00  3.0007000000e+00 -3.5793500000e+00 -1.5761500000e+00 -2.0632500000e+00 -3.4142300000e+00 -7.1213000000e-01 -1.6858400000e+00 -3.4500800000e+00 -1.4557900000e+00 -3.0040100000e+00 -3.1231300000e+00 -6.0782000000e-01  2.4487900000e+00 -2.3491200000e+00 -1.1576100000e+00  2.5707500000e+00 -3.7172100000e+00 -1.1430800000e+00  1.9226700000e+00  4.9394200000e+00 -1.6048100000e+00 -2.9569900000e+00  5.2766600000e+00 -1.5398800000e+00 -2.0635200000e+00  5.6532800000e+00 -2.0036600000e+00 -3.4545500000e+00 -2.3689600000e+00  1.0480000000e-01 -3.0101000000e-01 -2.6549000000e+00 -3.3285000000e-01  5.0082000000e-01 -1.4227400000e+00 -3.7300000000e-02 -3.2763000000e-01  2.4404900000e+00  9.0270000000e-02  5.9552000000e-01  2.5084400000e+00  1.2365000000e-01 -3.5868000000e-01  2.2666900000e+00  9.9494000000e-01  8.5554000000e-01
ENERGY -9.171655530156e+02
EMD0 -3.209747410000e+02
FORCES   1.8013500000e-02  8.5852000000e-03  9.0272000000e-03  4.6328000000e-03 -1.2852000000e-03  5.8404000000e-03 -1.7818000000e-03 -2.5292000000e-03 -1.4710100000e-02 -9.6426000000e-03  2.0751000000e-03 -1.0724000000e-03 -4.1607000000e-03  1.5318000000e-03  1.6618000000e-03  1.2924200000e-02 -1.9899000000e-03 -2.6358000000e-03  3.1705000000e-03 -6.5595000000e-03 -6.9580000000e-03  4.3347000000e-03 -3.2046000000e-03  4.5200000000e-05 -7.1501000000e-03  1.1940800000e-02  6.7272000000e-03  1.1172900000e-02  1.8982000000e-03 -4.9886000000e-03  4.5103000000e-03  5.0584000000e-03  4.8450000000e-04 -8.0236000000e-03 -8.9660000000e-04  1.3180000000e-02 -5.5741000000e-03  3.0500000000e-04 -2.5346000000e-03 -3.7830000000e-04 -1.0802000000e-03 -3.8529000000e-03  5.9368000000e-03  3.2092000000e-03  3.1617000000e-03  8.8367000000e-03 -5.1264000000e-03  7.4858000000e-03 -1.0076000000e-03 -6.9415000000e-03 -5.1983000000e-03 -7.9708000000e-03  1.5173400000e-02  1.0076800000e-02 -1.2763200000e-02  3.4843000000e-03 -7.6290000000e-03  4.7375000000e-03 -8.8281000000e-03  6.4590000000e-04  2.8305000000e-03  2.9641000000e-03 -1.0473000000e-03  7.9349000000e-03  3.1385000000e-03  7.5568000000e-03 -1.0622700000e-02 -7.3894000000e-03 -1.2986100000e-02  8.8870000000e-04  7.8872000000e-03  2.4960000000e-03 -7.3955000000e-03 -1.0302600000e-02 -7.5580000000e-03 -2.0012000000e-03  2.3569000000e-03 -2.4884000000e-03  1.8851000000e-03  6.5269000000e-03  2.3866000000e-03 -4.4769000000e-03  2.1034000000e-03  2.6105000000e-03  2.0315000000e-03 -4.4543000000e-03 -1.5908400000e-02  3.9936000000e-03 -5.0310000000e-04  8.1547000000e-03  1.8257300000e-02 -1.2333800000e-02 -9.7750000000e-04  2.9515000000e-03  6.2640000000e-04 -7.0385000000e-03 -1.8953000000e-02  2.5224000000e-03  9.0473000000e-03 -1.6322200000e-02  9.5506000000e-03 -5.1629000000e-03 -6.8460000000e-03 -2.6520000000e-03  1.9678500000e-02  6.0273000000e-03 -1.4861500000e-02 -7.5201000000e-03

JOB 138
COORDS   4.9889000000e-01 -1.9348500000e+00 -2.9457000000e-01  1.2857400000e+00 -2.4776800000e+00 -3.4401000000e-01  8.1443000000e-01 -1.0813500000e+00  2.4200000000e-03  3.8697400000e+00 -1.7670700000e+00 -4.2100000000e-01  4.7789400000e+00 -1.8260800000e+00 -1.2758000000e-01  3.5444700000e+00 -9.5490000000e-01 -3.2650000000e-02  3.0339900000e+00  1.8910800000e+00 -1.5412000000e+00  3.9523700000e+00  2.0984300000e+00 -1.7138600000e+00  2.9051400000e+00  1.0274200000e+00 -1.9332900000e+00 -3.9091200000e+00 -2.0812900000e+00  1.3210500000e+00 -3.1889000000e+00 -2.5672600000e+00  9.1937000000e-01 -4.3599500000e+00 -2.7267200000e+00  1.8654600000e+00  1.3203600000e+00  1.5597300000e+00  2.3194700000e+00  3.6669000000e-01  1.5342200000e+00  2.2413500000e+00  1.4812400000e+00  2.0083000000e+00  3.1496100000e+00 -2.6127200000e+00  4.4443400000e+00  7.1926000000e-01 -3.5669400000e+00  4.4761700000e+00  6.5074000000e-01 -2.4408400000e+00  3.7505200000e+00  1.3558900000e+00 -1.5682400000e+00  2.1461600000e+00  2.4233400000e+00 -1.7154800000e+00  1.9145400000e+00  3.3403500000e+00 -1.7831700000e+00  1.3500700000e+00  1.9372500000e+00 -2.0768500000e+00 -3.1686100000e+00 -5.5782000000e-01 -1.2703000000e+00 -2.6568500000e+00 -4.9614000000e-01 -2.5805900000e+00 -2.7401600000e+00 -1.2498600000e+00 -2.4310000000e+00  1.0659000000e-01  5.4118000000e-01 -2.9431700000e+00  4.8837000000e-01 -1.7167000000e-01 -2.9280500000e+00 -6.6738000000e-01  8.0604000000e-01  3.0873700000e+00 -6.9635000000e-01 -2.8648200000e+00  3.4552900000e+00 -1.1673700000e+00 -2.1171600000e+00  3.1960200000e+00 -1.2957700000e+00 -3.6031500000e+00 -1.7229400000e+00 -6.3543000000e-01 -2.2121800000e+00 -1.3244500000e+00 -9.0259000000e-01 -3.0404600000e+00 -9.9383000000e-01 -6.0916000000e-01 -1.5925400000e+00  2.4293000000e+00  2.2601000000e-01  5.0392000000e-01  2.5927000000e+00  9.6431000000e-01 -8.2980000000e-02  2.0255100000e+00  6.1926000000e-01  1.2775800000e+00
ENERGY -9.171678713371e+02
EMD0 -3.049137830000e+02
FORCES   6.2518000000e-03  2.3248000000e-03  2.8451000000e-03 -2.2194000000e-03  2.4223000000e-03  1.8158000000e-03 -6.1941000000e-03 -8.6003000000e-03 -3.6593000000e-03 -1.2660600000e-02  8.5499000000e-03  1.1144800000e-02 -2.3603000000e-03  6.4789000000e-03  1.6736000000e-03  1.7634800000e-02 -1.1273000000e-02 -1.5460500000e-02 -3.5089000000e-03  7.6000000000e-06 -6.2932000000e-03 -1.0036000000e-03 -4.4811000000e-03 -6.5970000000e-04  5.0360000000e-03  6.5966000000e-03  1.8855900000e-02  3.0059000000e-03  1.1751000000e-03 -6.0315000000e-03 -1.0997200000e-02  1.2133200000e-02  1.4408300000e-02  4.7702000000e-03 -4.8744000000e-03 -3.1881000000e-03  4.8476000000e-03 -3.2262000000e-03 -1.5472100000e-02  1.1413900000e-02 -7.3389000000e-03  5.0794000000e-03 -6.2400000000e-03 -9.5010000000e-04  8.5260000000e-04  5.4568000000e-03 -8.7990000000e-04  3.3190000000e-04  2.3818000000e-03 -3.5781000000e-03  3.3040000000e-03 -1.0024200000e-02  6.5685000000e-03 -5.3058000000e-03 -8.6566000000e-03 -3.7010000000e-04 -8.3870000000e-03  3.0890000000e-03 -4.8320000000e-03 -4.4037000000e-03  1.0888700000e-02  1.0584600000e-02  1.8916700000e-02  1.1935100000e-02  1.0195000000e-03 -6.1961000000e-03 -1.4594900000e-02 -1.9810000000e-03 -2.8317000000e-03  1.0946000000e-03 -1.9422000000e-03  4.5407000000e-03 -6.1069000000e-03 -9.3602000000e-03 -2.0770000000e-03 -3.5422000000e-03 -3.5367000000e-03  4.3551000000e-03  5.9175000000e-03  4.0736000000e-03 -9.2130000000e-03 -2.9810000000e-04 -2.7798000000e-03  5.5936000000e-03 -3.9001000000e-03  8.7312000000e-03 -1.5239500000e-02  3.3267000000e-03 -4.8723000000e-03  5.4642000000e-03  1.5836000000e-03  3.7235000000e-03  2.4507000000e-03  1.2017000000e-03 -7.2810000000e-04  4.0309000000e-03 -1.8429000000e-03 -1.1629000000e-03 -6.6874000000e-03 -2.3508000000e-03  1.8551400000e-02  1.3884000000e-02 -2.1978000000e-03 -1.3321300000e-02  7.0655000000e-03 -1.1372000000e-03 -2.8522000000e-03 -1.5507400000e-02

JOB 139
COORDS  -1.6048000000e-01 -1.5981900000e+00  4.3640000000e-02  7.8337000000e-01 -1.7046000000e+00 -7.4870000000e-02 -2.5748000000e-01 -7.2631000000e-01  4.2658000000e-01  4.4731900000e+00  4.8200000000e-01  2.9879000000e-01  4.6373100000e+00  9.7711000000e-01 -5.0381000000e-01  3.8441200000e+00  1.0149000000e+00  7.8511000000e-01  2.3440000000e+00  1.1195300000e+00 -2.3986200000e+00  1.7490200000e+00  1.3277500000e+00 -3.1189500000e+00  2.2755900000e+00  1.7013000000e-01 -2.2976600000e+00 -4.0808800000e+00 -3.3596000000e-01  1.4780800000e+00 -3.5444900000e+00 -1.0494800000e+00  1.1325200000e+00 -4.9338200000e+00 -7.3658000000e-01  1.6460900000e+00  3.5391000000e-01  8.6828000000e-01  9.5888000000e-01 -4.6578000000e-01  1.3463200000e+00  8.3314000000e-01  4.6893000000e-01  8.3476000000e-01  1.9085500000e+00  7.8256000000e-01  5.0425000000e-01  3.5410700000e+00  1.4040700000e+00  1.1356600000e+00  3.9034100000e+00  1.2701700000e+00 -3.1863000000e-01  3.5046800000e+00 -2.2028500000e+00  1.7592200000e+00  4.6221000000e-01 -2.8246800000e+00  1.3267500000e+00  1.0474600000e+00 -2.6102900000e+00  1.7062800000e+00 -4.0233000000e-01 -2.4529900000e+00 -2.3609400000e+00  1.0487900000e+00 -1.6161900000e+00 -2.1708500000e+00  6.2469000000e-01 -2.2671600000e+00 -3.1025900000e+00  1.6246800000e+00 -3.1331800000e+00  5.6969000000e-01 -2.1244200000e+00 -2.6331000000e+00 -8.2410000000e-02 -2.6152600000e+00 -3.7439600000e+00  5.5870000000e-02 -1.5960600000e+00  2.9380400000e+00 -1.5897900000e+00 -9.7783000000e-01  3.3482100000e+00 -9.2538000000e-01 -4.2416000000e-01  3.6668700000e+00 -2.1277000000e+00 -1.2871700000e+00 -1.3276900000e+00 -1.5997700000e+00 -2.5932100000e+00 -1.4361500000e+00 -2.5497300000e+00 -2.6384400000e+00 -8.6420000000e-01 -1.4501000000e+00 -1.7692000000e+00  2.4388900000e+00  2.3600800000e+00  2.4069000000e-01  2.6180400000e+00  2.2547100000e+00 -6.9368000000e-01  1.5812900000e+00  1.9544000000e+00  3.6786000000e-01
ENERGY -9.171860265926e+02
EMD0 -3.414664560000e+02
FORCES   1.7346000000e-03  1.1163800000e-02  1.0007900000e-02 -8.1253000000e-03  5.0492000000e-03  4.1548000000e-03 -6.3853000000e-03 -2.0798500000e-02 -4.8257000000e-03 -4.2151000000e-03  1.5023800000e-02  3.5688000000e-03 -1.8581000000e-03 -2.1996000000e-03  1.1875000000e-03  8.4736000000e-03 -1.1026000000e-02 -1.0018000000e-03  5.3230000000e-04 -1.5300000000e-03  3.1130000000e-03  7.4490000000e-04 -6.0586000000e-03  1.0899000000e-03 -3.6173000000e-03  9.0894000000e-03 -7.6271000000e-03  1.0777300000e-02 -1.2325700000e-02  3.2533000000e-03 -1.2331700000e-02  1.0458100000e-02 -3.3462000000e-03  3.0173000000e-03 -5.1451000000e-03 -2.3877000000e-03 -3.1730000000e-04  4.0370000000e-03  9.5957000000e-03  2.0427800000e-02 -8.3821000000e-03  1.0184600000e-02 -4.1402000000e-03  2.3323000000e-03 -1.4321500000e-02 -7.2900000000e-03  1.3923000000e-03 -3.2367000000e-03  1.4204000000e-03 -6.3604000000e-03 -2.7212000000e-03  2.1110000000e-03  6.3497000000e-03 -1.2131000000e-03 -3.7501000000e-03 -2.3428000000e-03 -5.4922000000e-03  6.0336000000e-03  4.9197000000e-03 -7.2342000000e-03 -3.8253000000e-03  1.9088000000e-03  1.2242200000e-02  7.2047000000e-03  1.2120300000e-02 -2.6766000000e-03 -1.1688800000e-02 -8.0450000000e-04  8.3900000000e-03  5.8593000000e-03 -6.0290000000e-04 -3.2186000000e-03  7.2759000000e-03 -6.0912000000e-03 -5.9558000000e-03 -1.0302000000e-02  5.4800000000e-03  3.1651000000e-03  3.4060000000e-03  7.0010000000e-04 -1.7481000000e-03  8.8545000000e-03  3.7418000000e-03  5.7557000000e-03 -8.5248000000e-03 -1.2884900000e-02 -1.0212200000e-02  1.8258000000e-03  3.8051000000e-03  1.9913000000e-03  4.0224000000e-03  9.7780000000e-04  7.6082000000e-03  2.5263000000e-03  1.0427000000e-03  3.3395000000e-03 -5.5636000000e-03 -3.2428000000e-03 -1.2198600000e-02 -1.6050500000e-02 -7.9419000000e-03 -2.7706000000e-03  2.0010000000e-03 -3.9000000000e-05  8.3938000000e-03  9.7368000000e-03  8.1841000000e-03 -4.8533000000e-03

JOB 140
COORDS   2.7142000000e-01 -1.0232500000e+00 -5.0392000000e-01  1.1288900000e+00 -1.2585600000e+00 -8.5832000000e-01  3.0611000000e-01 -7.1970000000e-02 -4.0343000000e-01  3.0761100000e+00 -2.0515000000e-01  1.0904900000e+00  4.0074200000e+00 -2.4586000000e-01  8.7315000000e-01  2.7488200000e+00  5.5103000000e-01  6.0335000000e-01  7.5557000000e-01  1.8976100000e+00 -2.9474100000e+00 -1.2195000000e-01  1.6055400000e+00 -3.1941900000e+00  9.8993000000e-01  2.5432600000e+00 -3.6140800000e+00 -3.0260200000e+00 -1.9353900000e+00  1.0877700000e+00 -2.1131500000e+00 -1.7414100000e+00  1.3005500000e+00 -3.0183600000e+00 -2.8515200000e+00  8.1049000000e-01  5.2689000000e-01  2.5821400000e+00  1.7897100000e+00 -2.9802000000e-01  2.2091600000e+00  1.4788300000e+00  9.0355000000e-01  1.9008000000e+00  2.3466000000e+00  1.2516200000e+00  4.3518000000e-01  3.2271900000e+00  1.9471200000e+00  1.7905000000e-01  2.6214600000e+00  1.6426400000e+00  3.3990000000e-01  4.0956800000e+00 -1.9968100000e+00  1.7696200000e+00  2.4701000000e-01 -1.8784700000e+00  2.3782800000e+00 -4.8221000000e-01 -2.8978700000e+00  1.4594500000e+00  1.5689000000e-01 -3.3566000000e-01 -1.5738100000e+00  2.0959800000e+00 -8.4760000000e-02 -1.5313600000e+00  1.1732200000e+00  3.0442000000e-01 -1.0211300000e+00  2.5443900000e+00 -2.4339100000e+00  3.1393000000e-01 -3.9618000000e+00 -2.3377300000e+00 -8.6460000000e-02 -3.0977000000e+00 -3.2503100000e+00 -4.9250000000e-02 -4.3050600000e+00  2.5057400000e+00 -2.8037200000e+00 -6.8750000000e-02  2.8438300000e+00 -1.9594600000e+00  2.2984000000e-01  1.6867600000e+00 -2.9183200000e+00  4.1328000000e-01 -2.3604900000e+00 -8.5363000000e-01 -1.5146300000e+00 -1.4355000000e+00 -9.1962000000e-01 -1.2774400000e+00 -2.8221200000e+00 -1.3063400000e+00 -8.0880000000e-01  1.6999100000e+00  1.3411200000e+00 -5.0030000000e-01  1.4719100000e+00  1.7036000000e+00 -1.3563700000e+00  1.3320700000e+00  1.9617300000e+00  1.2879000000e-01
ENERGY -9.171748837483e+02
EMD0 -3.365388190000e+02
FORCES   9.7605000000e-03  3.2840000000e-03  1.0088000000e-03 -3.4983000000e-03  6.2072000000e-03  4.5524000000e-03 -5.4693000000e-03 -1.0954300000e-02 -1.4278000000e-03 -8.1512000000e-03  9.3590000000e-03 -1.1270900000e-02 -5.2911000000e-03  6.0380000000e-04 -6.2710000000e-03  9.1276000000e-03 -6.2121000000e-03  1.7970500000e-02  2.6873000000e-03 -6.2939000000e-03  3.8376000000e-03  5.8192000000e-03  7.5062000000e-03 -4.0700000000e-04 -5.2508000000e-03 -1.5158000000e-03  1.1000000000e-06  3.5685000000e-03  3.4073000000e-03  1.6960400000e-02 -7.6485000000e-03 -7.1545000000e-03 -1.6711500000e-02  4.6435000000e-03  5.0454000000e-03 -4.0142000000e-03 -5.2319000000e-03 -2.7597000000e-03  1.9968300000e-02  1.5161800000e-02 -1.5125000000e-03 -1.6653000000e-03  1.0148000000e-03  1.2467000000e-03 -1.4549500000e-02 -5.3195000000e-03  4.7860000000e-03 -3.8873000000e-03 -1.4600900000e-02  5.9643000000e-03  1.0203200000e-02  4.6094000000e-03 -2.7208000000e-03 -5.6333000000e-03 -5.7111000000e-03 -5.9950000000e-03  1.2392000000e-03 -2.1038000000e-03 -1.8102000000e-03  2.2771000000e-03  5.1620000000e-04  8.1619000000e-03 -3.8988000000e-03  4.3667000000e-03  1.0906500000e-02  1.7944000000e-03 -4.4861000000e-03 -4.8700000000e-04  1.2316300000e-02  5.3889000000e-03 -7.0955000000e-03 -1.1456000000e-02 -2.4425000000e-03 -8.0254000000e-03  9.5635000000e-03  3.2635000000e-03  6.8561000000e-03 -1.2419900000e-02 -1.6880000000e-04 -1.4661000000e-03  3.3143000000e-03  2.5127000000e-03  1.6338000000e-03  6.1785000000e-03 -2.5327000000e-03 -6.0668000000e-03 -6.0636000000e-03  1.5520000000e-03  5.1960000000e-03 -3.3542000000e-03  1.0480000000e-04 -1.6727000000e-03  7.6697000000e-03 -1.0595900000e-02  3.1554000000e-03 -1.7298000000e-03  9.5274000000e-03 -1.1652000000e-03 -8.6539000000e-03  1.8045000000e-03  2.9450000000e-04 -7.9538000000e-03 -1.3606000000e-03  2.0781000000e-03  1.9272400000e-02  4.4335000000e-03 -1.2784300000e-02 -1.6760100000e-02

JOB 141
COORDS   4.2910000000e-01 -6.1724000000e-01 -1.1467500000e+00  1.2939800000e+00 -1.0203300000e+00 -1.0710300000e+00  5.1902000000e-01  2.2818000000e-01 -7.0697000000e-01  4.0183000000e+00 -7.3540000000e-02  2.2045600000e+00  4.8917900000e+00 -1.3780000000e-02  2.5914300000e+00  3.9474800000e+00  7.0385000000e-01  1.6505900000e+00 -8.2691000000e-01  5.3651000000e-01 -4.1055400000e+00 -3.6090000000e-01  9.0906000000e-01 -3.3570300000e+00 -1.7446600000e+00  5.2218000000e-01 -3.8339200000e+00 -3.7171200000e+00 -1.7860400000e+00  8.2633000000e-01 -2.9705300000e+00 -1.9599400000e+00  1.3995700000e+00 -4.2677600000e+00 -1.1830100000e+00  1.3257000000e+00  8.0421000000e-01  1.5147200000e+00  5.7616000000e-01 -1.2875000000e-01  1.6824400000e+00  7.0914000000e-01  1.0790100000e+00  1.0479600000e+00  1.3653700000e+00  1.1808500000e+00 -1.5124000000e-01  2.7342900000e+00  2.1193300000e+00 -3.1821000000e-01  2.6471500000e+00  1.0228000000e+00 -1.5645000000e-01  3.6783400000e+00 -1.8285000000e+00  1.9768200000e+00  8.1890000000e-02 -2.5972800000e+00  2.5463800000e+00  1.1040000000e-01 -2.1218300000e+00  1.2015300000e+00 -3.9675000000e-01 -9.9598000000e-01 -1.6759400000e+00  1.9297800000e+00 -6.3770000000e-01 -2.4275600000e+00  1.4576200000e+00 -2.5321000000e-01 -1.0810700000e+00  2.0329700000e+00 -3.4607300000e+00  2.6460000000e-02 -3.4082400000e+00 -3.0852400000e+00 -3.2985000000e-01 -2.6030800000e+00 -4.1786200000e+00 -5.6936000000e-01 -3.6224200000e+00  3.1885500000e+00 -1.6709000000e+00 -4.1139000000e-01  3.3250600000e+00 -1.6718800000e+00  5.3602000000e-01  4.0559900000e+00 -1.8401300000e+00 -7.7901000000e-01 -2.2781500000e+00 -4.6341000000e-01 -1.0517000000e+00 -1.3645000000e+00 -7.2432000000e-01 -9.3593000000e-01 -2.7746300000e+00 -1.0856700000e+00 -5.2016000000e-01  3.3734100000e+00  2.3758200000e+00  1.4928100000e+00  3.5584500000e+00  3.3070300000e+00  1.6146500000e+00  2.4794500000e+00  2.3514300000e+00  1.1515200000e+00
ENERGY -9.171775853503e+02
EMD0 -3.378135640000e+02
FORCES   6.0346000000e-03  4.8022000000e-03  1.1580000000e-04 -6.4268000000e-03  7.6650000000e-03  2.6516000000e-03 -5.1403000000e-03 -1.2349400000e-02 -6.1781000000e-03 -9.7040000000e-04  1.7649800000e-02  3.8200000000e-04  9.4110000000e-04  4.1860000000e-03 -4.8917000000e-03  3.6819000000e-03 -1.5000500000e-02  2.7047000000e-03 -7.8693000000e-03 -6.0259000000e-03 -1.0416000000e-03 -5.9108000000e-03  2.4477000000e-03 -7.9870000000e-04  1.0544600000e-02  4.3705000000e-03  7.4555000000e-03  4.9777000000e-03  2.3056000000e-03 -1.1748000000e-03 -1.1234400000e-02 -2.7340000000e-04 -5.1571000000e-03  3.5584000000e-03 -1.7133000000e-03  2.6360000000e-03 -1.4500200000e-02 -1.9007000000e-03  1.8670000000e-04  1.6271900000e-02 -1.2581900000e-02  5.6525000000e-03  3.4806000000e-03  9.3926000000e-03 -7.8778000000e-03  3.1815000000e-03  1.6385000000e-03 -4.4831000000e-03 -1.7231100000e-02  2.2263000000e-03  3.3724000000e-03  5.0359000000e-03 -3.2688000000e-03 -2.0300000000e-03  2.3541000000e-03 -1.1543000000e-02 -7.4597000000e-03 -3.4958000000e-03 -5.5988000000e-03 -2.7787000000e-03  1.1785000000e-03  1.9658100000e-02  8.1059000000e-03  9.9141000000e-03  1.1310200000e-02  4.0731000000e-03 -5.9640000000e-04  2.7230000000e-03  1.7749000000e-03 -5.8770000000e-03 -9.3014000000e-03 -2.6610000000e-03  1.2230900000e-02 -3.0510000000e-04  5.4998000000e-03 -9.6736000000e-03  4.4370000000e-04 -1.5359100000e-02  7.2030000000e-04 -2.0872000000e-03  7.8923000000e-03  9.0530000000e-04  1.9266000000e-03 -1.1135000000e-03  1.1088000000e-03 -4.1832000000e-03 -6.5362000000e-03  5.7090000000e-04 -9.6420000000e-04  6.2914000000e-03  3.1988000000e-03 -5.0565000000e-03  3.8064000000e-03 -1.9299400000e-02  3.8539000000e-03  9.9066000000e-03  1.4954300000e-02  1.5855000000e-03 -1.1172700000e-02 -1.8872000000e-03 -8.7417000000e-03 -5.1890000000e-04 -6.8442000000e-03  4.1730000000e-04 -1.3885000000e-03  1.2112900000e-02  2.2925000000e-03  1.0113600000e-02

JOB 142
COORDS   2.7144000000e-01  8.7051000000e-01 -1.0612100000e+00  7.8832000000e-01  8.6930000000e-02 -8.7398000000e-01  2.8379000000e-01  9.4379000000e-01 -2.0155300000e+00  3.7574200000e+00 -6.8435000000e-01  1.4762900000e+00  4.5479600000e+00 -5.5959000000e-01  9.5120000000e-01  3.6583800000e+00  1.3594000000e-01  1.9595500000e+00 -2.2699300000e+00  8.2177000000e-01 -4.2909700000e+00 -2.7916400000e+00  2.0792000000e-01 -3.7740200000e+00 -2.9149800000e+00  1.3303500000e+00 -4.7824000000e+00 -1.7449100000e+00 -1.8367900000e+00  9.1822000000e-01 -1.2025400000e+00 -1.9894500000e+00  1.6920200000e+00 -1.7366700000e+00 -2.6720600000e+00  4.5079000000e-01  7.0989000000e-01  1.9484700000e+00  1.4247300000e+00  3.7036000000e-01  2.8285800000e+00  1.2623500000e+00  7.3170000000e-01  1.5365200000e+00  5.6098000000e-01  6.8200000000e-02  1.7471000000e-01  3.7164200000e+00 -8.4244000000e-01  1.5036000000e-01  4.0103300000e+00  6.3140000000e-02  7.7223000000e-01  2.9686500000e+00  6.1561000000e-01  8.8778000000e-01 -3.8934600000e+00  9.4463000000e-01  7.2707000000e-01 -4.7778500000e+00 -3.1139000000e-01  6.5304000000e-01 -3.9359400000e+00  7.8600000000e-02 -2.5011000000e+00  2.8264900000e+00  9.5281000000e-01 -2.8759000000e+00  2.7191900000e+00  2.2970000000e-01 -1.6582000000e+00  3.2541900000e+00 -4.0911000000e+00 -3.0579000000e-01 -2.7697900000e+00 -3.4316300000e+00 -1.4555000000e-01 -2.0947700000e+00 -4.9022700000e+00  4.3280000000e-02 -2.4004800000e+00  2.1552700000e+00 -1.0967900000e+00 -5.0797000000e-01  2.7624800000e+00 -1.0379900000e+00  2.2964000000e-01  2.2399000000e+00 -1.9987000000e+00 -8.1718000000e-01 -2.3950600000e+00  3.6348000000e-01 -8.2462000000e-01 -1.7202700000e+00  1.0106600000e+00 -1.0296800000e+00 -1.9780800000e+00 -2.2763000000e-01 -1.9777000000e-01  2.8307300000e+00  1.3632500000e+00  3.0248300000e+00  2.2211400000e+00  1.6307100000e+00  2.3370000000e+00  2.2711900000e+00  1.0175900000e+00  3.7202900000e+00
ENERGY -9.171844682704e+02
EMD0 -3.498428020000e+02
FORCES   5.2961000000e-03 -8.0648000000e-03 -6.7084000000e-03 -9.8112000000e-03  1.5651400000e-02 -2.1074000000e-03 -1.0768500000e-02 -7.7187000000e-03  7.9049000000e-03 -1.4665800000e-02  8.5859000000e-03  1.0446600000e-02 -6.7497000000e-03  3.6895000000e-03 -6.0390000000e-04  1.0791000000e-02 -1.0895000000e-02 -1.9010400000e-02 -1.5796200000e-02 -3.8914000000e-03  7.5189000000e-03  1.0849700000e-02  3.2403000000e-03  2.9530000000e-04 -3.0343000000e-03 -1.8745000000e-03  7.9190000000e-04  8.8139000000e-03 -4.2464000000e-03  1.0555500000e-02 -1.0287200000e-02  2.9269000000e-03 -6.4076000000e-03  2.1017000000e-03 -5.7150000000e-04  2.5787000000e-03  4.4460000000e-04 -4.3558000000e-03 -1.2898500000e-02  3.0490000000e-04 -2.0751000000e-03 -2.9959000000e-03  4.6727000000e-03  6.3646000000e-03  1.7235300000e-02  3.0617000000e-03  4.9533000000e-03 -3.5666000000e-03  2.0326000000e-03  7.6000000000e-05 -6.6472000000e-03 -4.7290000000e-03 -6.5944000000e-03  1.3926300000e-02 -1.3904000000e-03  3.5333000000e-03 -1.4785000000e-03 -5.4030000000e-03 -1.5710000000e-03 -1.4125000000e-03  1.6156500000e-02 -4.0220000000e-03  6.3808000000e-03 -3.3103000000e-03  6.6292000000e-03 -2.1503000000e-03  4.9020000000e-04  4.4356000000e-03  4.0485000000e-03 -4.6440000000e-04 -1.4641900000e-02 -5.4142000000e-03  1.4291000000e-02  6.2810000000e-03  7.3822000000e-03 -1.1138200000e-02 -2.2050000000e-04 -2.2583100000e-02  2.1141000000e-03  2.7450000000e-04  3.6954000000e-03  1.0393400000e-02  9.5362000000e-03  1.8056200000e-02 -3.1434000000e-03 -9.8535000000e-03 -1.8940500000e-02  6.3007000000e-03  1.0670000000e-04  5.9775000000e-03  9.4119000000e-03 -7.6715000000e-03  3.4809000000e-03 -4.7475000000e-03  6.8350000000e-04  5.3550000000e-04 -4.8450000000e-04  1.3190100000e-02 -7.5887000000e-03 -1.1002400000e-02  4.5711000000e-03 -1.5866000000e-03  9.9460000000e-03 -9.9879000000e-03  6.1105000000e-03 -5.4650000000e-04  3.5264000000e-03 -4.8206000000e-03

JOB 143
COORDS   1.7557000000e-01 -4.0959000000e-01 -1.6763900000e+00  9.3141000000e-01 -9.0821000000e-01 -1.3660200000e+00  5.3850000000e-01  2.0315000000e-01 -2.3159700000e+00  3.3339600000e+00 -1.0397100000e+00  2.2620300000e+00  4.1026400000e+00 -1.2694800000e+00  2.7841200000e+00  3.2361000000e+00 -9.5090000000e-02  2.3818400000e+00 -8.8733000000e-01  2.0545500000e+00 -3.8656800000e+00 -1.2595300000e+00  2.4375000000e+00 -4.6600700000e+00 -1.6404000000e+00  1.6942800000e+00 -3.3973500000e+00 -1.9235200000e+00 -3.2711800000e+00  1.3529300000e+00 -1.0296600000e+00 -3.0272100000e+00  1.5932100000e+00 -2.0432500000e+00 -4.1436000000e+00  1.7281400000e+00 -1.7723900000e+00  5.6558000000e-01  2.2162200000e+00 -1.9253400000e+00  7.7420000000e-02  1.4071800000e+00 -2.2061800000e+00  4.7920000000e-02  2.8945100000e+00  1.6653000000e-01  1.7567800000e+00  4.3237000000e-01  2.4052000000e-01  9.6564000000e-01 -1.0136000000e-01 -5.6570000000e-01  1.5801700000e+00  1.0230400000e+00  1.2414200000e+00  2.5608400000e+00 -2.0279800000e+00  7.0527000000e-01  2.2624900000e+00 -1.2932900000e+00  6.3156000000e-01  2.6148500000e+00 -2.7637600000e+00  1.7398000000e-01 -1.5217400000e+00  2.0326300000e+00  9.8135000000e-01 -1.0224900000e+00  2.1556500000e+00 -5.2284000000e-01 -8.6745000000e-01  2.0832300000e+00 -3.3335600000e+00  3.1377000000e-01 -2.2763400000e+00 -3.1849100000e+00 -6.1540000000e-02 -1.4084200000e+00 -4.2471500000e+00  1.0739000000e-01 -2.4737800000e+00  2.2567600000e+00 -1.5496000000e+00 -5.4461000000e-01  2.8797300000e+00 -9.1497000000e-01 -1.9048000000e-01  2.1340300000e+00 -2.1847700000e+00  1.6089000000e-01 -2.2048600000e+00 -9.0810000000e-01 -3.5210000000e-02 -1.4127100000e+00 -1.1492100000e+00 -5.1541000000e-01 -2.5189400000e+00 -1.7314800000e+00  3.3848000000e-01  2.8329000000e+00  1.5259900000e+00  2.0034600000e+00  3.2510400000e+00  2.3230300000e+00  2.3292400000e+00  1.9940900000e+00  1.8222600000e+00  1.6501100000e+00
ENERGY -9.171773265663e+02
EMD0 -3.358872900000e+02
FORCES   1.1810100000e-02 -9.4376000000e-03 -4.5568000000e-03 -1.1602500000e-02  1.0685300000e-02 -7.3714000000e-03  4.5501000000e-03 -5.0084000000e-03  7.5770000000e-03 -2.3099000000e-03  1.2158700000e-02 -1.6100000000e-03  5.7500000000e-05  7.7290000000e-03  5.3370000000e-04  4.8754000000e-03 -1.5567700000e-02  5.5719000000e-03  2.4164000000e-03 -2.6735000000e-03  2.4080000000e-03 -4.3481000000e-03 -1.9891000000e-03  2.9651000000e-03  4.4617000000e-03  8.3725000000e-03 -8.6764000000e-03  3.0169000000e-03  5.2662000000e-03 -1.6986000000e-03 -1.1812500000e-02 -1.0231800000e-02 -1.0538000000e-03  6.9272000000e-03  1.6182000000e-03  2.1525000000e-03 -6.2623000000e-03  2.2491000000e-03 -1.1099200000e-02  1.2531800000e-02  3.6901000000e-03  2.2661200000e-02  3.2609000000e-03 -6.0882000000e-03 -6.9668000000e-03 -8.1565000000e-03  1.0749000000e-03 -8.3819000000e-03 -1.9800000000e-05  1.4273300000e-02  8.1951000000e-03  5.1872000000e-03 -7.2281000000e-03 -7.3347000000e-03 -4.9300000000e-03  5.0866000000e-03  1.9680000000e-03  5.2200000000e-05 -1.0171500000e-02 -6.7138000000e-03  4.0466000000e-03 -1.4361000000e-03  8.8081000000e-03  1.0000000000e-06  5.4065000000e-03  2.0642000000e-03 -1.0114500000e-02  5.8827000000e-03 -1.6418000000e-03  1.8532000000e-03 -6.0336000000e-03 -2.4448000000e-03  6.9602000000e-03 -5.4296000000e-03  7.5194000000e-03 -1.2086100000e-02  3.9017000000e-03 -9.4348000000e-03  1.3828000000e-03 -2.3715000000e-03  5.6978000000e-03 -4.6157000000e-03  3.3900000000e-03 -6.4370000000e-04 -3.5794000000e-03 -2.5614000000e-03 -2.2543000000e-03  1.6034000000e-03  1.2930000000e-03 -2.6067000000e-03  5.2176000000e-03 -4.5923000000e-03 -4.7121000000e-03 -1.0583700000e-02 -6.9740000000e-03  1.1756300000e-02  3.9661000000e-03  1.1348100000e-02 -4.8404000000e-03 -2.0762000000e-03 -1.0104100000e-02 -6.2204000000e-03 -5.2553000000e-03  8.5040000000e-04 -9.9170000000e-04  1.3574300000e-02  3.6224000000e-03  1.1375900000e-02

JOB 144
COORDS   1.0455200000e+00 -5.2257000000e-01 -1.4717300000e+00  1.4977800000e+00 -1.1435300000e+00 -9.0068000000e-01  1.5730000000e+00 -5.0278000000e-01 -2.2702400000e+00  2.6544700000e+00 -9.6072000000e-01  2.7581800000e+00  3.1842000000e+00 -7.3282000000e-01  3.5221700000e+00  2.5562000000e+00 -1.3734000000e-01  2.2800300000e+00 -1.9805100000e+00  3.3259300000e+00 -3.0708800000e+00 -2.1650700000e+00  3.2013500000e+00 -4.0018200000e+00 -2.5724500000e+00  2.7196300000e+00 -2.6256300000e+00 -7.0934000000e-01 -3.0507300000e+00  1.5538800000e+00 -1.1662700000e+00 -3.7505500000e+00  2.0204500000e+00 -6.2348000000e-01 -2.3486000000e+00  2.1987700000e+00 -1.7027800000e+00  4.5640000000e-02  1.2855400000e+00 -1.9046800000e+00 -4.9543000000e-01  5.2218000000e-01 -2.4834500000e+00 -1.5220000000e-02  1.8360800000e+00  5.6523000000e-01  1.8615400000e+00 -1.7720000000e-01  8.9066000000e-01  1.1588400000e+00 -7.3983000000e-01 -2.9415000000e-01  2.0793900000e+00 -5.3808000000e-01  6.2964000000e-01  2.1686600000e+00 -3.4487000000e+00  9.8150000000e-01  2.3707700000e+00 -2.5817700000e+00 -3.0166000000e-01  2.3804500000e+00 -3.3850700000e+00 -2.3318000000e-01 -1.1518800000e+00  3.3562000000e+00  6.6965000000e-01 -8.7915000000e-01  3.1926200000e+00 -7.6516000000e-01 -5.3339000000e-01  2.8555000000e+00 -3.1149300000e+00  1.0679300000e+00 -1.6638600000e+00 -3.2696600000e+00  1.2119100000e+00 -7.3029000000e-01 -3.1747400000e+00  1.1891000000e-01 -1.7734700000e+00  1.8827400000e+00 -2.6878900000e+00  1.7870000000e-02  9.8793000000e-01 -2.9608300000e+00  2.2048000000e-01  2.2670900000e+00 -2.4750400000e+00  8.6829000000e-01 -1.4960700000e+00 -1.6369600000e+00 -1.1081800000e+00 -7.3465000000e-01 -1.1219500000e+00 -1.3751100000e+00 -1.1392800000e+00 -2.3102500000e+00 -5.2887000000e-01  2.5217500000e+00  1.5449700000e+00  1.8923700000e+00  2.9143900000e+00  2.3847000000e+00  2.1309200000e+00  2.0929900000e+00  1.7104200000e+00  1.0527100000e+00
ENERGY -9.171763925225e+02
EMD0 -3.270660740000e+02
FORCES  -5.1570000000e-04 -1.2628000000e-02  8.3598000000e-03 -6.1636000000e-03  1.6841400000e-02 -1.3649600000e-02  4.4377000000e-03 -2.8820000000e-03  7.6005000000e-03  7.1476000000e-03  1.2936000000e-02 -3.0963000000e-03 -1.1342000000e-03  3.7569000000e-03 -1.5220000000e-03 -4.5205000000e-03 -1.3495300000e-02  4.4834000000e-03 -3.9989000000e-03  2.2268000000e-03  5.5137000000e-03  1.6093000000e-03 -5.8104000000e-03  4.5317000000e-03  3.5156000000e-03  8.7896000000e-03 -8.1708000000e-03  5.8973000000e-03  1.4840400000e-02  1.9069200000e-02 -1.1373000000e-03  4.7504000000e-03  3.8835000000e-03 -1.0435300000e-02 -1.4347900000e-02 -1.3758500000e-02  8.9272000000e-03 -7.1904000000e-03 -9.7136000000e-03 -7.9994000000e-03  1.1187700000e-02  1.4181400000e-02  5.3896000000e-03 -3.5134000000e-03 -2.5358000000e-03 -6.7882000000e-03 -1.0358500000e-02  3.5167000000e-03  4.0650000000e-04  1.6580300000e-02  4.3815000000e-03  4.2642000000e-03 -2.3593000000e-03 -6.7388000000e-03 -7.7548000000e-03  7.5732000000e-03 -4.8040000000e-04 -3.8199000000e-03 -3.6031000000e-03 -1.0622000000e-03  8.3334000000e-03 -5.8768000000e-03 -1.5001000000e-03  7.0929000000e-03  3.6450000000e-04 -1.9736000000e-03 -1.5100900000e-02  5.3669000000e-03 -2.9006000000e-03  2.5967000000e-03 -7.9987000000e-03  4.8236000000e-03  3.0235000000e-03 -3.2965000000e-03 -3.7266000000e-03 -1.2635000000e-03 -4.0399000000e-03 -3.1744000000e-03 -4.8505000000e-03  5.7249000000e-03  6.0407000000e-03  5.4700000000e-05 -9.7183000000e-03  4.8163000000e-03  7.1023000000e-03  7.4647000000e-03 -6.3156000000e-03 -5.4965000000e-03 -9.9410000000e-04 -7.3841000000e-03  1.1192200000e-02 -4.5310000000e-03 -7.5412000000e-03 -1.0471500000e-02 -7.0898000000e-03  8.5844000000e-03  3.7631000000e-03  7.9249000000e-03 -6.7172000000e-03 -6.0768000000e-03 -6.7655000000e-03  2.3026000000e-03 -2.5411000000e-03  1.6299000000e-03 -5.2089000000e-03  1.5314800000e-02 -1.4597000000e-03  5.0810000000e-03

JOB 145
COORDS  -4.0038000000e-01  7.7216000000e-01 -6.7473000000e-01  1.7549000000e-01  7.6200000000e-03 -6.6509000000e-01  5.2610000000e-02  1.4068200000e+00 -1.2299200000e+00  3.4509800000e+00 -7.1626000000e-01  1.1011800000e+00  2.9226100000e+00 -8.8161000000e-01  3.2034000000e-01  2.8159600000e+00 -4.6485000000e-01  1.7718300000e+00 -6.1502000000e-01  2.1089700000e+00 -4.5667100000e+00 -1.4980000000e+00  1.8690700000e+00 -4.2856100000e+00 -3.9058000000e-01  1.4595600000e+00 -5.2331400000e+00  5.8394000000e-01 -2.3369900000e+00  1.9521700000e+00  3.4540000000e-02 -1.8378700000e+00  2.5565500000e+00  1.1411100000e+00 -2.8703500000e+00  2.5190300000e+00 -3.6799000000e+00  1.0332200000e+00  1.6540400000e+00 -3.7395000000e+00  9.8064000000e-01  7.0015000000e-01 -3.8934000000e+00  1.5064000000e-01  1.9568500000e+00 -8.8644000000e-01  5.6246000000e-01  2.2334500000e+00 -8.0711000000e-01  7.6131000000e-01  1.3005000000e+00 -1.7089800000e+00  9.7465000000e-01  2.4975800000e+00  7.2924000000e-01  2.9740200000e+00 -2.2976600000e+00  1.5928500000e+00  2.9905100000e+00 -2.7101400000e+00  1.2075000000e-01  2.8223300000e+00 -3.0208200000e+00  3.2568300000e+00 -2.6664600000e+00  3.5056500000e+00  3.5798000000e+00 -2.1835400000e+00  2.7449200000e+00  3.6960300000e+00 -2.2594700000e+00  4.2524400000e+00 -2.6549200000e+00 -1.3740000000e-01 -4.0407600000e+00 -2.6352500000e+00 -2.1681000000e-01 -3.0870600000e+00 -3.1463000000e+00 -9.0421000000e-01 -4.3353400000e+00  1.1652700000e+00 -1.6479500000e+00 -6.0921000000e-01  8.8766000000e-01 -1.9391600000e+00  2.5932000000e-01  1.3715700000e+00 -2.4561600000e+00 -1.0787500000e+00 -2.6480300000e+00 -6.4169000000e-01 -1.3480900000e+00 -2.1652900000e+00  1.2243000000e-01 -1.0329600000e+00 -2.5547600000e+00 -1.2893500000e+00 -6.4947000000e-01  1.7804600000e+00  7.7549000000e-01  3.1117200000e+00  1.9938200000e+00  1.6853300000e+00  3.3188700000e+00  8.6574000000e-01  8.0145000000e-01  2.8309100000e+00
ENERGY -9.171753819690e+02
EMD0 -3.250011640000e+02
FORCES   7.9513000000e-03  5.3370000000e-04 -1.0156300000e-02 -4.5870000000e-03  1.4359700000e-02  3.9316000000e-03 -4.6809000000e-03 -1.7716600000e-02  3.7654000000e-03 -4.6603000000e-03  7.2032000000e-03 -3.8093000000e-03  2.0523000000e-03  3.0656000000e-03  7.0605000000e-03  5.1281000000e-03 -1.2663500000e-02 -8.3586000000e-03  1.8156000000e-03 -3.3818000000e-03 -2.9830000000e-04  7.0659000000e-03  5.2119000000e-03  9.5760000000e-04 -2.7997000000e-03  1.2642000000e-03 -8.0590000000e-04  5.9638000000e-03  3.2350000000e-03 -2.4261000000e-03  3.1385000000e-03 -9.1958000000e-03  2.9487000000e-03 -1.1463800000e-02  1.8472000000e-03 -1.1557000000e-03 -2.3060000000e-03  3.7183000000e-03 -1.1400000000e-03  1.7840000000e-04 -4.5736000000e-03  5.0148000000e-03  2.9618000000e-03  1.8718000000e-03 -4.1715000000e-03 -5.4063000000e-03  4.7418000000e-03 -6.4564000000e-03 -3.5920000000e-03 -2.5762000000e-03  1.4270100000e-02  5.4577000000e-03 -2.3747000000e-03 -1.1774000000e-03 -1.9798000000e-03  3.8464000000e-03 -1.0541100000e-02 -2.3964000000e-03 -1.9060000000e-04 -2.3065000000e-03  3.5756000000e-03  1.3464000000e-03  1.2364200000e-02  1.5989000000e-03  2.1492000000e-03 -1.8585000000e-03 -1.3855000000e-03 -2.9260000000e-03  1.2161300000e-02  2.7774000000e-03  1.0469000000e-03 -4.2276000000e-03 -7.3830000000e-04 -4.8166000000e-03  9.9876000000e-03 -1.5814000000e-03  5.5938000000e-03 -9.5586000000e-03  4.5510000000e-04 -1.1425000000e-03  3.7722000000e-03 -4.0901000000e-03 -3.5132000000e-03  8.2632000000e-03  3.7226000000e-03  2.9496000000e-03 -2.0030300000e-02 -1.0990000000e-04 -2.4661000000e-03  7.0164000000e-03  1.4599400000e-02  6.3960000000e-04 -7.4395000000e-03 -1.6976600000e-02 -7.5997000000e-03 -1.0780000000e-04 -8.3180000000e-04  5.9185000000e-03  3.7762000000e-03 -7.6655000000e-03 -7.1400000000e-04 -1.2110000000e-03 -6.2924000000e-03 -7.1400000000e-05 -1.3530000000e-04  1.5101600000e-02  5.3795000000e-03  2.0817000000e-03

JOB 146
COORDS   7.5701000000e-01  2.4378900000e+00 -1.1516400000e+00  1.3283200000e+00  1.6699600000e+00 -1.1625100000e+00  4.9699000000e-01  2.5565100000e+00 -2.0651700000e+00  5.7765000000e-01  1.8385500000e+00  2.4832000000e+00  1.2245500000e+00  2.0470400000e+00  1.8091900000e+00 -2.6623000000e-01  2.0253000000e+00  2.0718500000e+00 -2.3824300000e+00  4.7420000000e-02 -4.2582900000e+00 -2.3189500000e+00 -1.3834000000e-01 -3.3214400000e+00 -1.6337100000e+00 -4.0713000000e-01 -4.6443500000e+00  2.0385400000e+00 -2.1819400000e+00  2.8693000000e-01  1.8992400000e+00 -1.7230300000e+00  1.1153200000e+00  1.8230100000e+00 -3.0945800000e+00  4.7897000000e-01 -1.4793000000e+00  2.1983300000e+00  7.6293000000e-01 -9.6177000000e-01  2.8468900000e+00  2.8569000000e-01 -2.3484200000e+00  2.5924500000e+00  8.3738000000e-01 -1.2874500000e+00 -7.2382000000e-01  2.1131700000e+00 -1.3869900000e+00  1.7306000000e-01  1.7939200000e+00 -1.4743000000e+00 -1.2719800000e+00  1.3510400000e+00 -9.0117000000e-01  2.3678100000e+00 -3.6879600000e+00 -9.9894000000e-01  3.0322400000e+00 -4.3700100000e+00 -1.4007900000e+00  1.6176700000e+00 -4.0103000000e+00  9.1480000000e-01 -3.9792800000e+00  2.2690500000e+00  9.3849000000e-01 -3.0635600000e+00  2.5467800000e+00  1.4758400000e+00 -4.4349800000e+00  2.8965900000e+00 -2.1194200000e+00 -6.3920000000e-02 -1.5850400000e+00 -1.5751500000e+00 -8.1581000000e-01 -1.3512100000e+00 -1.6002800000e+00  6.9769000000e-01 -1.3268200000e+00  3.0690800000e+00  1.3871900000e+00  5.6334000000e-01  2.9061800000e+00  4.4629000000e-01  4.9711000000e-01  4.0219800000e+00  1.4628500000e+00  6.1318000000e-01 -2.8151000000e-01 -1.8717200000e+00 -9.3809000000e-01  5.8205000000e-01 -1.7696200000e+00 -5.3800000000e-01 -4.6391000000e-01 -2.8095400000e+00 -8.7922000000e-01  9.8253000000e-01 -1.4462700000e+00  3.2028600000e+00  1.3259200000e+00 -6.8873000000e-01  3.6766300000e+00  1.9279000000e-01 -1.1211700000e+00  2.7705900000e+00
ENERGY -9.171671081337e+02
EMD0 -3.053902320000e+02
FORCES   2.2709000000e-03  1.9573000000e-03 -1.9157000000e-03 -5.4889000000e-03 -1.5346000000e-03 -7.0552000000e-03  1.0665800000e-02 -2.8694000000e-03  8.7962000000e-03 -7.1122000000e-03  4.3552000000e-03 -5.7039000000e-03 -9.4670000000e-03 -3.0000000000e-06  1.7409000000e-03  7.0064000000e-03 -9.2410000000e-04 -1.7970000000e-04 -1.1010600000e-02 -5.3338000000e-03  1.8460500000e-02  7.9356000000e-03 -9.3210000000e-04 -2.2611100000e-02  1.6141000000e-03  5.0664000000e-03  6.7607000000e-03  1.2280000000e-04 -9.4214000000e-03  5.6557000000e-03 -2.2105000000e-03 -1.9456000000e-03 -1.1969300000e-02 -2.5963000000e-03  1.0228800000e-02 -6.0875000000e-03  9.8283000000e-03 -3.2000000000e-03 -1.6900000000e-03 -1.2643000000e-02  3.4681000000e-03  1.1241500000e-02  5.4498000000e-03  3.2683000000e-03 -2.7873000000e-03  3.8154000000e-03  2.1081000000e-03  5.0640000000e-03 -1.9613000000e-03 -7.7486000000e-03  1.0484000000e-03  2.2093000000e-03  4.3511000000e-03  3.5438000000e-03 -1.1006300000e-02 -1.2083000000e-02 -7.7360000000e-04 -1.9698000000e-03 -4.6005000000e-03 -1.6809000000e-03  1.2573300000e-02  1.4293100000e-02 -1.4159000000e-03 -4.9939000000e-03  8.9196000000e-03  1.1771100000e-02  2.3850000000e-03 -8.6328000000e-03 -1.2976600000e-02  1.1857000000e-03  3.9110000000e-03  4.4000000000e-06  7.2688000000e-03 -5.9240000000e-03  3.5669000000e-03 -8.4011000000e-03  8.8338000000e-03 -4.1236000000e-03  6.0270000000e-04 -7.7205000000e-03 -2.0668000000e-03  2.3839000000e-03  4.7888000000e-03  1.0171000000e-03  2.1990000000e-03  4.2794000000e-03 -4.2850000000e-04 -2.1618000000e-03 -5.9439000000e-03 -4.2790000000e-04  1.8236200000e-02  6.9500000000e-03  3.1367000000e-03 -1.7198300000e-02 -3.4568000000e-03 -3.0997000000e-03  3.1304000000e-03  2.3951000000e-03  2.4416000000e-03 -2.0641600000e-02  2.0539000000e-03  1.4389000000e-03 -3.8227000000e-03 -4.1490000000e-04 -1.7835000000e-03  2.1801900000e-02 -8.5390000000e-03  3.0881000000e-03

JOB 147
COORDS   6.0096000000e-01  3.6345800000e+00 -1.4031700000e+00  2.7581000000e-01  3.1148100000e+00 -2.1382600000e+00  1.2615600000e+00  4.2095800000e+00 -1.7894500000e+00  1.0443300000e+00  1.9964100000e+00  1.0311200000e+00  1.2481900000e+00  2.7042600000e+00  1.6423600000e+00  9.7531000000e-01  2.4273800000e+00  1.7923000000e-01 -2.8291900000e+00  3.3486000000e-01 -1.3638100000e+00 -3.7679200000e+00  2.2461000000e-01 -1.2125700000e+00 -2.5489400000e+00  9.5526000000e-01 -6.9091000000e-01  1.6539900000e+00 -6.2106000000e-01  9.5130000000e-01  1.4213000000e+00  3.0658000000e-01  9.9092000000e-01  1.5984500000e+00 -9.2138000000e-01  1.8584700000e+00 -1.6954100000e+00  1.5548200000e+00  1.0716900000e+00 -1.6093500000e+00  7.0025000000e-01  1.4942200000e+00 -7.9428000000e-01  1.8359200000e+00  9.1299000000e-01 -5.8765000000e-01 -2.4045400000e+00  7.5259000000e-01  1.0198000000e-01 -1.7420700000e+00  7.9460000000e-01 -7.4746000000e-01 -2.5255900000e+00 -1.8338000000e-01 -2.7157000000e-01  1.5258800000e+00 -2.8274000000e+00  1.2634000000e-01  7.3136000000e-01 -2.4715200000e+00 -1.2138400000e+00  1.3830400000e+00 -2.7382200000e+00 -1.8385700000e+00 -9.4505000000e-01  2.5194700000e+00 -1.3813200000e+00 -1.6607700000e+00  2.0779900000e+00 -2.7231200000e+00 -1.2799600000e+00  2.6665900000e+00 -1.2544600000e+00 -2.1056800000e+00 -1.7066100000e+00 -4.9468000000e-01 -1.6849700000e+00 -2.1090700000e+00 -1.8401400000e+00 -1.3818000000e+00 -1.4847900000e+00  3.6529400000e+00 -1.3979700000e+00 -8.5353000000e-01  3.2060200000e+00 -1.1740500000e+00 -3.7220000000e-02  4.2594100000e+00 -2.0976800000e+00 -6.1096000000e-01  9.8783000000e-01 -6.6620000000e-01 -2.0320800000e+00  1.1735900000e+00 -4.9570000000e-01 -1.1086900000e+00  1.8190400000e+00 -9.7726000000e-01 -2.3906300000e+00  5.0813000000e-01 -9.2967000000e-01  3.7504700000e+00  5.5024000000e-01 -1.4303300000e+00  4.5652100000e+00 -4.2755000000e-01 -8.5428000000e-01  3.5632200000e+00
ENERGY -9.172029086196e+02
EMD0 -3.747410190000e+02
FORCES  -1.0424900000e-02 -8.4714000000e-03 -1.0223700000e-02  9.4605000000e-03  1.9198600000e-02  5.7588000000e-03 -2.2373000000e-03 -4.0190000000e-03 -4.3321000000e-03  5.1550000000e-04 -2.4923000000e-03 -1.9503000000e-03 -1.0099000000e-03  2.8386000000e-03 -5.9802000000e-03 -2.1198000000e-03 -1.0233900000e-02  1.9942800000e-02  2.0342000000e-03  3.6958000000e-03  6.5421000000e-03  2.6514000000e-03  2.3433000000e-03  4.2811000000e-03 -1.0484500000e-02 -6.7080000000e-03 -1.5798100000e-02 -6.1990000000e-04  1.0800500000e-02  6.9235000000e-03 -1.1159000000e-03 -1.7738300000e-02 -3.6072000000e-03  4.3640000000e-04  4.7967000000e-03 -1.2962800000e-02  8.5831000000e-03  4.8000000000e-05  1.3686200000e-02  5.8962000000e-03  9.8506000000e-03 -9.8010000000e-03 -4.0548000000e-03 -4.9965000000e-03 -3.1419000000e-03 -8.4417000000e-03  3.0392000000e-03 -2.8913400000e-02 -1.0361800000e-02 -1.5976000000e-03  2.7304000000e-03  1.2375400000e-02  4.2328000000e-03  1.7722900000e-02  1.1371500000e-02 -1.3532700000e-02  2.0259000000e-03 -1.2260300000e-02  8.7111000000e-03  3.4833000000e-03  7.5339000000e-03 -1.2298000000e-03  2.4064000000e-03  1.0926800000e-02 -9.9293000000e-03 -1.5166400000e-02 -4.6007000000e-03  1.4647400000e-02  2.3334100000e-02  3.0725000000e-03 -4.6740000000e-03 -2.0338000000e-03  5.3282000000e-03  8.5913000000e-03  4.0460000000e-03 -8.7373000000e-03 -7.0050000000e-04  4.8320000000e-03  1.0901700000e-02 -8.5153000000e-03  4.5220000000e-04 -4.7860000000e-03  3.4009000000e-03  3.6769000000e-03  1.0867400000e-02 -6.5079000000e-03 -6.6570000000e-03 -2.7996000000e-03  2.0138000000e-03  5.6974000000e-03 -2.6769000000e-03 -1.7280000000e-03 -6.7900000000e-04 -2.1454000000e-03  6.2535000000e-03 -9.1845000000e-03 -5.8891000000e-03  1.8298000000e-03  1.9138000000e-03 -1.3420200000e-02  2.5708000000e-03 -3.4290000000e-03 -6.6023000000e-03  8.2670000000e-04 -8.3780000000e-04  1.2833700000e-02 -6.6148000000e-03  5.2427000000e-03

JOB 148
COORDS   2.5088000000e-01  2.3709400000e+00  1.7695000000e-01  7.9942000000e-01  2.0796600000e+00 -5.5140000000e-01  5.7669000000e-01  1.8826100000e+00  9.3300000000e-01 -2.0240800000e+00  4.0032300000e+00  1.4512600000e+00 -2.8009300000e+00  3.9788100000e+00  8.9256000000e-01 -1.4080500000e+00  3.4023400000e+00  1.0321200000e+00 -3.1728800000e+00  1.6433000000e-01 -1.3755900000e+00 -4.1275300000e+00  1.0454000000e-01 -1.3395900000e+00 -2.9344700000e+00  6.6827000000e-01 -5.9749000000e-01  1.1511200000e+00  7.6991000000e-01  2.1220500000e+00  6.1638000000e-01 -2.3990000000e-02  2.1230600000e+00  2.0165000000e+00  4.7674000000e-01  2.4073800000e+00 -3.0640300000e+00  1.1721100000e+00  1.1916000000e+00 -2.4602500000e+00  4.4582000000e-01  1.3471100000e+00 -2.8273700000e+00  1.8259800000e+00  1.8493800000e+00 -1.1121000000e+00 -2.3061100000e+00 -8.3358000000e-01 -3.0709000000e-01 -2.3847300000e+00 -1.3454500000e+00 -1.6241000000e+00 -1.6400400000e+00 -1.2923300000e+00  1.6833800000e+00  1.1916400000e+00 -2.1356700000e+00  2.1252900000e+00  1.5855000000e+00 -2.8878800000e+00  7.9407000000e-01  1.0174900000e+00 -2.4439200000e+00 -9.1877000000e-01 -1.2638900000e+00  1.9074100000e+00 -1.0102500000e+00 -1.7114900000e+00  1.0662700000e+00 -1.4870900000e+00 -1.7528600000e+00  2.5025100000e+00 -8.6301000000e-01  3.1545000000e-01 -2.8722000000e+00 -1.0603300000e+00  3.9079000000e-01 -3.8058000000e+00 -1.7196600000e+00  3.1491000000e-01 -2.4451400000e+00  2.2890500000e+00 -5.6677700000e+00 -6.1961000000e-01  1.5301900000e+00 -5.4208700000e+00 -9.1020000000e-02  1.9639600000e+00 -5.6698700000e+00 -1.5199100000e+00  2.0217400000e+00 -1.3388200000e+00 -1.2248400000e+00  2.3161300000e+00 -4.3676000000e-01 -1.3508200000e+00  2.5818100000e+00 -1.6788100000e+00 -5.2702000000e-01  3.8157000000e+00  6.0760000000e-01  2.3361000000e+00  4.0190500000e+00  1.4777500000e+00  2.6792000000e+00  3.5361200000e+00  7.6457000000e-01  1.4341900000e+00
ENERGY -9.171557779805e+02
EMD0 -2.870282810000e+02
FORCES   9.6975000000e-03 -8.1932000000e-03  3.6205000000e-03 -1.3268000000e-03 -1.7689000000e-03  8.2518000000e-03 -3.8293000000e-03  5.6254000000e-03 -1.1393900000e-02  8.3504000000e-03  4.5881000000e-03 -4.2104000000e-03  2.5682000000e-03 -3.8117000000e-03  1.1020000000e-03 -1.5347400000e-02  1.6119000000e-03  7.2700000000e-03 -2.0342000000e-03  6.4953000000e-03  6.5474000000e-03  8.5670000000e-04  2.2321000000e-03  3.8853000000e-03 -1.1199000000e-03 -1.1266400000e-02 -1.0458500000e-02  3.5380000000e-03  5.2790000000e-03 -1.2075000000e-03  1.4861100000e-02  5.0020000000e-03  1.6854000000e-03 -8.0935000000e-03 -3.8604000000e-03 -8.4504000000e-03  7.8210000000e-04  6.5119000000e-03  1.8974000000e-03 -7.0464000000e-03  7.8406000000e-03 -4.9750000000e-03 -2.2000000000e-06 -1.0305400000e-02  1.1020000000e-04  2.8106000000e-03  1.6884000000e-03 -4.5256000000e-03 -9.4951000000e-03 -3.3530000000e-03 -2.4548000000e-03  6.1884000000e-03 -3.8500000000e-03  4.1740000000e-04 -1.1342300000e-02 -9.1333000000e-03  9.3360000000e-04 -5.6755000000e-03 -2.8562000000e-03 -2.2061000000e-03  1.8475600000e-02  1.1991600000e-02 -1.4115000000e-03  7.2279000000e-03 -5.5649000000e-03 -6.3671000000e-03 -5.8440000000e-03  4.6045000000e-03  1.9956700000e-02 -1.9265000000e-03 -7.6770000000e-04 -6.4519000000e-03 -8.9058000000e-03 -6.7960000000e-04  1.1616600000e-02 -2.5459000000e-03  1.2864000000e-03  3.2730000000e-03  1.1432100000e-02 -2.9745000000e-03 -1.1282800000e-02  2.8445000000e-03 -9.6190000000e-04  7.6730000000e-04  2.4880000000e-04 -5.1110000000e-04 -5.2000000000e-03 -2.8744000000e-03  6.9920000000e-04  4.2731000000e-03 -4.3308000000e-03  9.3193000000e-03 -7.4323000000e-03  8.7716000000e-03 -1.1079300000e-02  9.4705000000e-03  7.5830000000e-04  8.0124000000e-03 -1.5839000000e-03 -3.8280000000e-04 -1.5689000000e-03  2.5016000000e-03 -2.7030000000e-03 -1.4719000000e-03 -5.7787000000e-03 -4.5860000000e-03  1.1904000000e-03  7.8106000000e-03

JOB 149
COORDS  -7.4450000000e-01  2.9540900000e+00  1.0860500000e+00 -2.4019000000e-01  3.6090900000e+00  1.5686300000e+00 -3.9923000000e-01  2.1143200000e+00  1.3890400000e+00 -1.8446800000e+00  3.8503300000e+00 -1.4595000000e+00 -1.4170700000e+00  4.6524200000e+00 -1.7595500000e+00 -1.3512000000e+00  3.5920700000e+00 -6.8103000000e-01 -1.6241200000e+00 -1.5341200000e+00 -2.2261100000e+00 -2.0832500000e+00 -2.3739500000e+00 -2.2161200000e+00 -1.9473700000e+00 -1.0746500000e+00 -1.4511100000e+00  2.0221000000e-01  6.1336000000e-01  1.9164300000e+00  4.0844000000e-01 -1.9687000000e-01  2.3825100000e+00  7.3483000000e-01  5.7547000000e-01  1.1220100000e+00 -2.1647200000e+00  4.0373000000e-01  1.7238000000e-01 -1.4026200000e+00  2.6240000000e-01  7.3404000000e-01 -2.5011100000e+00  1.2604100000e+00  4.3540000000e-01  1.4503700000e+00 -3.6154600000e+00  1.5562000000e+00  1.0357500000e+00 -3.3123400000e+00  7.4845000000e-01  1.1270800000e+00 -3.0181400000e+00  2.2306800000e+00  8.8107000000e-01  4.6064400000e+00 -1.1454100000e+00  1.3763600000e+00  5.3892100000e+00 -9.0417000000e-01  1.5371800000e+00  4.0078600000e+00 -1.5024100000e+00  5.0651000000e-01 -1.3984200000e+00  3.8047300000e+00  1.3052600000e+00 -1.5406800000e+00  4.3126500000e+00 -1.1695000000e-01 -1.0363200000e+00  4.4343400000e+00  5.8811000000e-01  1.9340300000e+00 -1.8991200000e+00 -7.5920000000e-02  1.2454300000e+00 -1.8653900000e+00  1.0814000000e-01  2.7398300000e+00 -1.7079500000e+00  4.9128000000e-01 -5.1591300000e+00 -5.3715000000e-01  8.3734000000e-01 -5.1731300000e+00  3.5520000000e-01  5.0328000000e-01 -6.0754600000e+00 -8.1360000000e-01  4.9604000000e-01 -2.5332000000e+00 -1.0715200000e+00 -1.6105000000e-01 -2.1378500000e+00 -1.6443800000e+00  5.2081000000e-01 -3.4533800000e+00 -1.3340000000e+00  1.7020700000e+00 -1.0183000000e-01 -3.2394000000e-01  1.8198500000e+00  5.1385000000e-01 -1.0473300000e+00  1.3533200000e+00 -8.9231000000e-01 -7.3595000000e-01
ENERGY -9.171574246568e+02
EMD0 -3.030865880000e+02
FORCES   3.2009000000e-03 -1.1907300000e-02  4.1644000000e-03  1.7094000000e-03 -3.9530000000e-03  2.3717000000e-03  1.1013000000e-03  7.7943000000e-03 -6.8716000000e-03  1.6773000000e-03  4.2820000000e-04  7.1186000000e-03 -1.1963000000e-03 -6.4810000000e-04  2.0135000000e-03  9.9700000000e-05  2.3107000000e-03 -1.4865900000e-02  2.6612000000e-03  4.8711000000e-03  2.2054000000e-03  4.3759000000e-03  2.1001000000e-03  5.2726000000e-03  4.5132000000e-03 -1.5119000000e-02 -7.4289000000e-03  7.2243000000e-03 -2.0215000000e-03  4.4902000000e-03  5.5480000000e-04  5.0755000000e-03 -1.2336500000e-02 -1.6390400000e-02  6.1060000000e-03  1.6609200000e-02  1.1510000000e-03  6.9198000000e-03  6.4641000000e-03 -6.7192000000e-03  2.2544000000e-03 -7.7791000000e-03  3.3115000000e-03 -4.2993000000e-03  4.4549000000e-03  1.2145000000e-03  4.7212000000e-03 -3.0857000000e-03 -4.9400000000e-05 -1.1662600000e-02  9.2032000000e-03  1.9379000000e-03 -8.9100000000e-05 -5.0858000000e-03 -6.4475000000e-03 -5.9056000000e-03 -7.8310000000e-04  2.8134000000e-03 -4.6182000000e-03 -1.6628000000e-03 -1.9009000000e-03  5.9950000000e-03  2.2508000000e-03 -2.3670000000e-03  2.1948000000e-03 -2.9316000000e-03 -5.9323000000e-03  6.0430000000e-04  2.3288000000e-03  6.8050000000e-03 -2.4200000000e-04  1.4384000000e-03 -5.4238000000e-03  3.7983000000e-03  2.1342000000e-03  4.3388000000e-03  1.6426000000e-03  1.4218000000e-03  7.5054000000e-03 -2.6353000000e-03  5.2900000000e-04  1.5479000000e-03  1.2704100000e-02  4.1518000000e-03 -3.3089000000e-03 -6.6221000000e-03 -1.0155700000e-02  1.7056000000e-03  1.7230000000e-04  6.7042000000e-03 -1.3014900000e-02  4.7400000000e-05 -5.2164000000e-03  1.1913000000e-02 -1.1569200000e-02  4.3616000000e-03 -7.2896000000e-03  1.0858400000e-02 -4.2325000000e-03 -4.0560000000e-04 -5.4892000000e-03 -2.1745000000e-03 -7.0120000000e-04 -1.1704000000e-02 -1.0941000000e-03 -2.1460000000e-04  1.7887000000e-02 -3.9839000000e-03

JOB 150
COORDS   1.2746400000e+00  3.3044500000e+00  1.5396900000e+00  2.2169300000e+00  3.1407200000e+00  1.5008800000e+00  8.8775000000e-01  2.4433500000e+00  1.6980000000e+00 -3.5153300000e+00  2.9686400000e+00  4.2000000000e-02 -4.0343900000e+00  3.5308100000e+00  6.1713000000e-01 -2.8738200000e+00  3.5580600000e+00 -3.5459000000e-01 -9.3018000000e-01 -3.4331000000e-01 -2.7200800000e+00 -1.5800900000e+00 -8.5100000000e-02 -3.3736600000e+00 -1.1724100000e+00  1.4655000000e-01 -1.9342100000e+00  8.2238000000e-01  3.5851000000e-01  1.0248400000e+00  5.6480000000e-01 -2.2472000000e-01  1.7387900000e+00  1.4146600000e+00 -1.6726000000e-01  4.8726000000e-01 -1.7902100000e+00  1.1435700000e+00 -6.9620000000e-01 -1.4824900000e+00  8.5275000000e-01  1.6227000000e-01 -2.4637300000e+00  1.7952900000e+00 -5.0158000000e-01  2.0063700000e+00 -3.1101900000e+00  1.3474500000e+00  2.0997800000e+00 -2.8234400000e+00  4.3900000000e-01  2.8673700000e+00 -2.9578500000e+00  1.7369300000e+00 -7.5871000000e-01  4.2237000000e+00 -2.4780000000e-01 -2.4991000000e-01  3.6723100000e+00 -8.4221000000e-01 -2.9298000000e-01  4.1704000000e+00  5.8676000000e-01 -1.5000000000e-04 -1.0732400000e+00  3.2580600000e+00 -8.7830000000e-01 -1.2488800000e+00  3.5960600000e+00  3.1248000000e-01 -1.9234700000e+00  2.9488600000e+00  1.7789000000e+00  6.9236000000e-01 -2.8020300000e+00  1.5192200000e+00  1.5990500000e+00 -2.9654500000e+00  1.1336000000e+00  1.6860000000e-01 -3.2769000000e+00 -6.0732000000e-01 -3.7830600000e+00  1.6122200000e+00 -5.1954000000e-01 -4.6224500000e+00  1.1606000000e+00  2.8833000000e-01 -3.4522500000e+00  1.6800900000e+00 -2.6233000000e-01 -2.8439500000e+00 -1.1962700000e+00 -8.1372000000e-01 -2.1305700000e+00 -1.5176500000e+00 -4.6542000000e-01 -2.9023400000e+00 -2.6268000000e-01  2.0073700000e+00 -1.5169300000e+00 -1.1737100000e+00  1.9082300000e+00 -8.1760000000e-01 -1.8197200000e+00  1.2237800000e+00 -2.0560200000e+00 -1.2814600000e+00
ENERGY -9.171647141479e+02
EMD0 -3.208539660000e+02
FORCES   1.5729000000e-03 -3.5527000000e-03 -2.7605000000e-03 -1.2715000000e-03 -2.9249000000e-03  1.8498000000e-03  1.7766000000e-03  1.1079600000e-02  3.5129000000e-03  6.2714000000e-03 -9.8385000000e-03  9.9630000000e-04  3.6921000000e-03  5.1998000000e-03 -3.2267000000e-03 -1.1665500000e-02 -1.0428500000e-02  5.6290000000e-04 -6.1887000000e-03  1.2968800000e-02  1.4826900000e-02  1.3459000000e-03  3.5668000000e-03  2.2046000000e-03  3.3071000000e-03 -1.4739200000e-02 -1.3950500000e-02  2.1633000000e-03 -5.0301000000e-03  9.2700000000e-05  6.7369000000e-03 -1.4551000000e-03 -1.2964600000e-02 -5.0771000000e-03  7.1070000000e-04  1.4357400000e-02 -8.4487000000e-03  8.8722000000e-03 -1.2817000000e-03 -9.6698000000e-03  1.2566000000e-03 -1.2663000000e-03  1.0145300000e-02  3.1614000000e-03 -5.5280000000e-04 -1.2373000000e-03 -2.2086000000e-03 -3.7633000000e-03 -8.8240000000e-04 -6.7468000000e-03  1.0812200000e-02  1.8030000000e-04  1.7561000000e-03 -5.2594000000e-03  1.1548500000e-02 -1.2015000000e-03  7.2192000000e-03 -7.1260000000e-04  2.2140000000e-03 -3.4050000000e-04 -7.3805000000e-03 -1.8380000000e-04 -5.1589000000e-03 -7.1990000000e-04  3.5193000000e-03  1.7764000000e-03  3.4330000000e-03 -3.2594000000e-03 -5.0350000000e-04 -3.9572000000e-03  4.2594000000e-03 -2.5401000000e-03 -3.7152000000e-03 -1.5301000000e-03  7.6259000000e-03 -1.8903000000e-03 -2.0992000000e-03 -5.2182000000e-03  1.0561900000e-02  2.2850000000e-03  2.1920000000e-03  8.1473000000e-03 -3.4120000000e-03  5.7069000000e-03  3.5125000000e-03  4.7739000000e-03 -1.8269000000e-03 -1.3851500000e-02  1.9704000000e-03 -1.9892000000e-03  2.2114000000e-03  9.6790000000e-04 -2.4015000000e-03  3.9406000000e-03 -5.6287000000e-03  1.3673000000e-02  5.0486000000e-03  7.1970000000e-03 -1.0459400000e-02 -1.0736900000e-02 -1.1930000000e-04 -1.2495100000e-02 -1.0686900000e-02 -1.1970600000e-02 -2.9986000000e-03  1.2496200000e-02  1.0570000000e-02  3.5486000000e-03

JOB 151
COORDS   7.9739000000e-01  3.6380900000e+00 -2.3085000000e-01  1.0746700000e+00  2.7335500000e+00 -8.5390000000e-02  4.8616000000e-01  3.6510900000e+00 -1.1359500000e+00 -1.5477500000e+00  1.8694500000e+00  3.5215800000e+00 -1.6020400000e+00  2.6114900000e+00  4.1238000000e+00 -1.4215300000e+00  2.2679600000e+00  2.6604800000e+00 -1.6098000000e-01  3.1431000000e-01 -3.5076500000e+00 -9.5821000000e-01  2.9265000000e-01 -4.0369800000e+00 -4.5711000000e-01  5.8565000000e-01 -2.6387900000e+00  1.2507600000e+00  1.7606000000e-01  3.8178000000e-01  1.1015700000e+00 -6.8065000000e-01  7.8181000000e-01  1.6880000000e+00 -1.8970000000e-02 -4.4708000000e-01 -1.1628300000e+00  4.9972000000e-01 -7.8597000000e-01 -1.7955500000e+00 -7.6340000000e-02 -3.5696000000e-01 -3.7380000000e-01  4.3229000000e-01 -2.4828000000e-01  1.2102800000e+00 -2.4773700000e+00  1.4347300000e+00  2.0890500000e+00 -2.7551100000e+00  1.1761600000e+00  6.4250000000e-01 -2.7917000000e+00  7.3114000000e-01 -1.8000000000e+00  2.8496800000e+00  1.0141700000e+00 -2.1970600000e+00  2.3385000000e+00  3.0900000000e-01 -1.0561700000e+00  3.2893900000e+00  6.0235000000e-01 -2.9986300000e+00 -7.6363000000e-01  1.1836100000e+00 -2.5097300000e+00 -1.4336300000e+00  1.6614300000e+00 -2.7915400000e+00  5.3610000000e-02  1.6369000000e+00  4.7382700000e+00 -6.8971000000e-01 -3.0594200000e+00  5.5654600000e+00 -5.4628000000e-01 -3.5192100000e+00  4.7818900000e+00 -1.0859000000e-01 -2.3000600000e+00 -1.5549400000e+00 -2.4971000000e+00  2.8283800000e+00 -1.8184000000e+00 -1.8056200000e+00  3.4355700000e+00 -6.2461000000e-01 -2.3363300000e+00  2.6706400000e+00 -1.1291300000e+00 -3.1551100000e+00 -3.8433000000e-01 -1.6389600000e+00 -2.4994500000e+00 -8.6015000000e-01 -1.7596700000e+00 -3.5671300000e+00  2.0633000000e-01  2.2936200000e+00  2.5461000000e-01 -2.3098800000e+00  3.0137900000e+00 -2.0589000000e-01 -2.7406000000e+00  1.5898800000e+00  2.5973000000e-01 -2.9586900000e+00
ENERGY -9.171630530691e+02
EMD0 -3.126004430000e+02
FORCES   1.0302700000e-02  2.7126000000e-03  8.5250000000e-04 -6.4123000000e-03  6.1480000000e-03 -5.6520000000e-03 -1.6906000000e-03 -4.0494000000e-03  4.6602000000e-03 -1.9998000000e-03  4.6847000000e-03 -1.1563400000e-02  1.5528000000e-03  2.0323000000e-03 -4.3564000000e-03  3.9064000000e-03 -7.8060000000e-04  1.5049400000e-02  1.5366000000e-03 -3.1762000000e-03  5.5193000000e-03 -2.9474000000e-03  1.9146000000e-03  5.3872000000e-03  6.2976000000e-03  2.5096000000e-03 -1.5728400000e-02  6.8977000000e-03 -4.7248000000e-03  1.4353000000e-03 -3.3091000000e-03  6.8061000000e-03 -1.5410200000e-02 -9.1344000000e-03 -5.6810000000e-03  1.6024000000e-02  1.1545000000e-02 -5.3598000000e-03  1.3110300000e-02  1.2130500000e-02  4.2692000000e-03 -2.6792000000e-03 -1.8509700000e-02 -3.4750000000e-03 -7.4475000000e-03  8.4510000000e-04 -4.6795000000e-03  4.1976000000e-03 -4.9233000000e-03  2.3340000000e-04 -6.4100000000e-03  1.4373900000e-02  6.3284000000e-03  8.1486000000e-03  4.4137000000e-03 -2.7230000000e-03  6.3610000000e-04  6.8910000000e-04  6.3206000000e-03  7.4830000000e-04 -1.2248200000e-02 -6.2340000000e-03  8.5720000000e-04 -3.1023000000e-03 -9.0923000000e-03  1.1532300000e-02 -3.8089000000e-03  1.4104900000e-02 -2.0633000000e-03  4.3655000000e-03 -7.3963000000e-03 -3.7444000000e-03 -5.1002000000e-03 -2.5532000000e-03 -3.8853000000e-03  3.3660000000e-04  3.2202000000e-03  6.6204000000e-03 -2.9428000000e-03 -1.4545000000e-03 -6.5716000000e-03  3.5308000000e-03 -7.1629000000e-03  3.5394000000e-03  2.0320000000e-03  1.4625000000e-03 -1.0411300000e-02 -1.0854500000e-02  4.6285000000e-03  2.4001000000e-03 -2.0747000000e-03 -1.4229000000e-03 -4.0674000000e-03 -2.8367000000e-03 -4.0817000000e-03  3.9068000000e-03 -1.5710000000e-04  3.7493000000e-03 -4.8132000000e-03 -1.7788000000e-03 -2.2860000000e-04 -9.8502000000e-03 -2.0045000000e-03  4.2960000000e-03  4.9026000000e-03  1.1079400000e-02 -1.1453000000e-03  5.1261000000e-03

JOB 152
COORDS   1.8316100000e+00  3.8114000000e+00 -1.4455300000e+00  2.1377100000e+00  4.3871300000e+00 -2.1463000000e+00  2.0459400000e+00  2.9292100000e+00 -1.7488900000e+00 -2.5864800000e+00  3.5184600000e+00  2.2893100000e+00 -3.1971300000e+00  3.5362800000e+00  1.5524100000e+00 -1.7239300000e+00  3.4287700000e+00  1.8841000000e+00 -1.1530000000e-01  2.6040000000e-02 -2.1875200000e+00 -1.9168000000e-01 -9.2628000000e-01 -2.1284300000e+00 -6.3414000000e-01  3.5443000000e-01 -1.4532100000e+00  1.7309300000e+00 -3.9806000000e-01  3.8599000000e-01  1.3840200000e+00 -1.2864000000e+00  3.0397000000e-01  1.8048600000e+00 -8.5100000000e-02 -5.1558000000e-01 -1.1194200000e+00  3.9954000000e-01  1.7801000000e-01 -1.2615400000e+00  1.3335800000e+00  3.3168000000e-01 -2.1970000000e-01  2.4329000000e-01  4.6495000000e-01  6.9604000000e-01 -2.7108800000e+00  1.7910000000e-02  8.5407000000e-01 -3.5583100000e+00  4.3399000000e-01 -2.5234000000e-01 -2.6782600000e+00 -1.0755000000e-01 -6.6384000000e-01  3.7565900000e+00  1.4584000000e-01 -1.0032400000e+00  4.6239600000e+00 -7.4860000000e-02  2.7920000000e-01  3.8225400000e+00 -4.3700000000e-03 -2.8051200000e+00 -3.9872900000e+00  1.9982400000e+00 -2.2338000000e+00 -3.4126300000e+00  2.5077300000e+00 -3.6742500000e+00 -3.8601800000e+00  2.3785900000e+00  4.0262500000e+00 -6.0840000000e-01 -1.7838200000e+00  3.8655700000e+00 -1.4099100000e+00 -1.2858100000e+00  4.8029000000e+00 -8.0335000000e-01 -2.3082600000e+00 -1.3339400000e+00 -2.2509300000e+00  3.6821700000e+00 -1.0151800000e+00 -2.2827800000e+00  4.5841800000e+00 -1.0320700000e+00 -1.4052300000e+00  3.3506800000e+00 -1.9014800000e+00 -2.8606200000e+00 -5.6780000000e-01 -2.3663400000e+00 -3.3229500000e+00  1.2961000000e-01 -2.1990600000e+00 -1.9538200000e+00 -4.9441000000e-01  2.2230500000e+00  1.3467800000e+00 -2.7461500000e+00  2.7854900000e+00  6.5807000000e-01 -2.3918000000e+00  1.3389500000e+00  9.8305000000e-01 -2.6980900000e+00
ENERGY -9.171674255189e+02
EMD0 -3.077768070000e+02
FORCES   3.0497000000e-03 -1.2651800000e-02 -7.1994000000e-03  1.1658000000e-03 -2.9520000000e-03 -1.3456000000e-03 -2.5590000000e-03  1.7600900000e-02  6.4595000000e-03  4.6513000000e-03  2.1067000000e-03 -2.3428000000e-03  3.1222000000e-03 -5.9300000000e-05 -3.2900000000e-05 -8.4767000000e-03 -2.3533000000e-03  3.5548000000e-03 -8.0628000000e-03  6.9907000000e-03  1.4487800000e-02 -2.2942000000e-03  3.5325000000e-03  5.4125000000e-03  8.2588000000e-03 -5.2120000000e-03 -8.5102000000e-03  2.5159000000e-03 -2.1307300000e-02 -1.8902000000e-03  8.4980000000e-04  1.6858700000e-02 -2.9938000000e-03 -4.1115000000e-03 -6.5031000000e-03  2.3714000000e-03  8.8849000000e-03 -2.6273000000e-03 -2.6888000000e-03  5.9869000000e-03 -7.8106000000e-03 -1.5041000000e-03 -1.6795800000e-02  5.9480000000e-03 -7.1651000000e-03 -1.2544800000e-02  1.0557400000e-02 -5.2058000000e-03 -4.9785000000e-03  3.6260000000e-04 -3.8970000000e-04  1.9381100000e-02  2.5217000000e-03  9.2854000000e-03  6.9658000000e-03  1.1491000000e-03 -8.4653000000e-03  3.2744000000e-03 -3.2650000000e-04  1.8985000000e-03 -1.1716200000e-02  3.9863000000e-03  9.0862000000e-03  4.8575000000e-03 -1.4804000000e-03  9.9869000000e-03 -9.8654000000e-03 -4.2874000000e-03 -9.5220000000e-03  3.0557000000e-03  3.0819000000e-03  1.4778000000e-03 -2.6396000000e-03  6.1544000000e-03  1.4004000000e-03  5.5243000000e-03 -8.4260000000e-04 -6.2123000000e-03 -1.7681000000e-03 -5.4587000000e-03  4.2946000000e-03 -2.1665000000e-03 -3.7307000000e-03 -6.3350000000e-04  1.4953000000e-03  6.0323000000e-03 -2.6942000000e-03  1.1925000000e-03 -2.8468000000e-03  6.4075000000e-03 -3.4718000000e-03 -9.4171000000e-03  1.4405000000e-03  5.6162000000e-03  1.2106000000e-02 -1.0796900000e-02  3.2819000000e-03 -6.7374000000e-03  2.8420000000e-03 -3.0613000000e-03 -1.1791800000e-02 -3.4333000000e-03 -1.1998100000e-02  4.1305000000e-03 -7.2180000000e-04  1.3380400000e-02  5.2764000000e-03  3.3419000000e-03

JOB 153
COORDS   3.2139000000e-01  3.1257400000e+00 -2.1327700000e+00 -1.5870000000e-01  2.3472400000e+00 -2.4150500000e+00  1.1789800000e+00  2.7950500000e+00 -1.8655200000e+00 -3.4725700000e+00  9.9380000000e-01  6.3753000000e-01 -4.0089200000e+00  1.1288900000e+00 -1.4369000000e-01 -2.6452200000e+00  1.4325300000e+00  4.3942000000e-01  2.3024000000e-01  2.9327000000e-01 -1.3665800000e+00  2.2027000000e-01 -2.7713000000e-01 -5.9796000000e-01  1.1234700000e+00  2.2577000000e-01 -1.7039600000e+00  2.1063100000e+00 -2.4845200000e+00 -3.0246600000e+00  1.4616000000e+00 -2.5152100000e+00 -2.3178100000e+00  1.6190800000e+00 -2.1548100000e+00 -3.7797300000e+00 -1.3062400000e+00  1.1840000000e+00  3.4594000000e+00 -1.2402200000e+00  1.5708800000e+00  2.5863600000e+00 -9.9633000000e-01  1.8704500000e+00  4.0501500000e+00  6.4106000000e-01 -2.2134400000e+00 -5.0985000000e-01 -2.3651000000e-01 -2.4230300000e+00 -1.9020000000e-01  1.0316600000e+00 -1.6879800000e+00  1.8841000000e-01 -1.0231200000e+00  2.0060800000e+00  4.9121000000e-01 -6.0551000000e-01  1.6594300000e+00 -2.9724000000e-01 -5.0875000000e-01  2.7820200000e+00  7.1386000000e-01 -1.6370000000e+00 -2.3579600000e+00  1.1964600000e+00 -2.2749400000e+00 -1.9361700000e+00  1.7720900000e+00 -2.0921100000e+00 -3.1290300000e+00  8.5801000000e-01  3.8294000000e+00 -7.6214000000e-01 -1.6566100000e+00  4.3917900000e+00 -1.2188900000e+00 -1.0310400000e+00  3.4817700000e+00 -1.4555000000e+00 -2.2175300000e+00 -3.4126100000e+00 -1.1428800000e+00  2.9450200000e+00 -2.5809000000e+00 -8.4058000000e-01  3.3098500000e+00 -3.7020400000e+00 -4.2574000000e-01  2.3809500000e+00  5.9615000000e-01 -6.3720000000e-01  1.7334400000e+00 -4.6800000000e-02 -1.3463100000e+00  1.7333900000e+00  2.4031000000e-01  9.3600000000e-03  2.3430000000e+00  3.0704600000e+00  1.9911600000e+00 -1.7800200000e+00  3.4538400000e+00  1.1496100000e+00 -1.5329400000e+00  3.8046200000e+00  2.4957900000e+00 -2.1301300000e+00
ENERGY -9.171669970630e+02
EMD0 -3.151174610000e+02
FORCES   5.9947000000e-03 -3.2089000000e-03 -2.2358000000e-03  1.9132000000e-03  1.6317000000e-03  1.7381000000e-03 -1.1483800000e-02  2.1382000000e-03  5.5000000000e-05  1.2839500000e-02  6.5742000000e-03  1.3980000000e-03  5.7700000000e-03  3.2527000000e-03 -1.4748000000e-03 -1.1833500000e-02 -5.7468000000e-03 -6.6807000000e-03  4.2979000000e-03 -1.3987700000e-02  2.0954000000e-03  3.5741000000e-03  2.8653000000e-03  7.5560000000e-04 -4.0234000000e-03 -1.9404000000e-03  2.7928000000e-03 -1.6748000000e-03 -3.0496000000e-03  5.4803000000e-03  4.7228000000e-03  2.0403000000e-03 -1.6194200000e-02 -3.4889000000e-03 -5.8960000000e-04  4.7758000000e-03 -7.8122000000e-03  2.0458000000e-03  1.4997000000e-03  7.0602000000e-03  5.2740000000e-04  1.3814200000e-02  1.3479000000e-03  2.3914000000e-03 -7.5015000000e-03 -4.9216000000e-03  8.3356000000e-03  7.1356000000e-03  5.8055000000e-03  1.4231000000e-03 -9.3600000000e-04 -1.1613000000e-02  2.2967000000e-03 -4.6900000000e-03 -1.4821000000e-03 -6.3790000000e-03 -1.5545300000e-02 -9.4999000000e-03  9.2637000000e-03  1.1058100000e-02  2.6881000000e-03 -6.0539000000e-03  4.4908000000e-03 -1.0222200000e-02  9.9994000000e-03  1.0642700000e-02  1.5922700000e-02 -8.8504000000e-03 -8.2553000000e-03 -1.2109000000e-03  3.7746000000e-03 -6.2920000000e-04 -8.6216000000e-03 -5.3482000000e-03 -1.0632200000e-02 -1.9123000000e-03 -3.2098000000e-03 -3.7790000000e-03  1.3774400000e-02  4.9740000000e-03  1.3190900000e-02 -9.2815000000e-03  7.7708000000e-03  6.4945000000e-03 -2.3410000000e-04 -9.0954000000e-03 -1.2320200000e-02  5.0427000000e-03 -9.1652000000e-03  6.7022000000e-03 -1.8307000000e-03  9.5760000000e-04  2.6031000000e-03  7.5136000000e-03  7.9875000000e-03 -3.9368000000e-03 -1.4209000000e-03 -6.5945000000e-03 -3.2522000000e-03  4.6610000000e-04 -7.9132000000e-03 -1.2041000000e-03  1.0970000000e-03  1.5418000000e-02 -3.9090000000e-04  2.7370000000e-03 -4.5354000000e-03  2.9352000000e-03

JOB 154
COORDS   6.6754000000e-01  3.5432800000e+00  7.4894000000e-01  1.4349900000e+00  3.1846400000e+00  1.1946100000e+00  9.2204000000e-01  4.4354000000e+00  5.1316000000e-01 -3.0539400000e+00  7.1545000000e-01  1.7386700000e+00 -3.6694800000e+00  1.1237200000e+00  2.3474800000e+00 -2.7720100000e+00  1.4298300000e+00  1.1673400000e+00 -2.9718000000e-01  1.1535000000e-01 -1.2735500000e+00  8.1830000000e-02 -4.8188000000e-01 -6.2865000000e-01  3.5101000000e-01  1.5178000000e-01 -1.9769500000e+00  2.6839300000e+00 -1.5990800000e+00 -3.3020000000e-02  1.8329000000e+00 -1.8311700000e+00  3.3861000000e-01  2.9170200000e+00 -7.7607000000e-01  3.9659000000e-01 -2.4957000000e-01  4.9230000000e-01  1.7452400000e+00 -2.2210000000e-01  8.0562000000e-01  8.4119000000e-01 -1.1680000000e+00  5.7772000000e-01  2.0010300000e+00  1.8533000000e-01 -2.0172600000e+00  7.9857000000e-01 -6.2234000000e-01 -2.5249500000e+00  7.2011000000e-01 -7.9850000000e-02 -1.2114300000e+00  1.2419200000e+00 -1.8881500000e+00  2.5868500000e+00  1.6522000000e-01 -1.6144500000e+00  2.1175500000e+00 -6.2286000000e-01 -1.0719600000e+00  2.9063800000e+00  5.4988000000e-01 -2.4879800000e+00 -2.9792800000e+00  5.3758000000e-01 -2.6278400000e+00 -2.2061700000e+00 -9.2100000000e-03 -3.3559800000e+00 -3.3738700000e+00  6.2181000000e-01  2.5038600000e+00 -1.8061900000e+00 -2.8641100000e+00  3.2582400000e+00 -2.1257200000e+00 -3.3591200000e+00  2.7810700000e+00 -1.8505100000e+00 -1.9490000000e+00 -2.8503800000e+00 -6.9561000000e-01 -6.2924000000e-01 -2.9291400000e+00 -2.1129000000e-01  1.9262000000e-01 -1.9583700000e+00 -5.1829000000e-01 -9.2776000000e-01  2.8781000000e+00  6.8744000000e-01  2.4544900000e+00  3.2080400000e+00  4.4440000000e-02  3.0821300000e+00  1.9255400000e+00  6.2152000000e-01  2.5217000000e+00  1.8345800000e+00  8.6950000000e-01 -3.4912400000e+00  1.8233100000e+00 -5.4600000000e-02 -3.2419400000e+00  2.7410900000e+00  1.1442200000e+00 -3.3533800000e+00
ENERGY -9.171805233429e+02
EMD0 -3.466061910000e+02
FORCES  -3.7676000000e-03 -2.2455000000e-03 -1.9918000000e-03 -1.5010000000e-04  7.3608000000e-03 -3.3027000000e-03  4.7288000000e-03 -3.0393000000e-03  3.9470000000e-03 -7.0700000000e-04  3.8200000000e-03 -1.1292700000e-02  3.6455000000e-03  6.2739000000e-03 -3.1555000000e-03 -5.3483000000e-03 -2.2010300000e-02  1.3376900000e-02  5.5940000000e-04 -4.3711000000e-03 -9.6393000000e-03 -5.1322000000e-03  1.5084800000e-02 -1.5546000000e-03  9.7040000000e-04 -9.1906000000e-03  8.6161000000e-03 -1.1706600000e-02 -8.7807000000e-03  8.0444000000e-03  1.2922300000e-02  1.3944800000e-02 -1.7524000000e-03 -7.1561000000e-03 -4.2372000000e-03 -2.2141000000e-03 -1.3514200000e-02  3.2085000000e-03  2.6322000000e-03 -2.5264000000e-03 -8.9979000000e-03  4.8948000000e-03  1.2856200000e-02  1.6427000000e-03 -9.5349000000e-03 -1.0789000000e-03 -5.6619000000e-03  8.0406000000e-03  7.3256000000e-03  1.6843100000e-02  1.0829000000e-03 -5.9980000000e-04 -7.8231000000e-03 -1.7040200000e-02  7.0840000000e-03  1.0515600000e-02 -8.3920000000e-04  6.7410000000e-04  9.7320000000e-04  8.7042000000e-03 -1.0092200000e-02 -1.0240900000e-02 -4.1379000000e-03 -3.9564000000e-03  1.6461300000e-02 -9.5832000000e-03  6.1912000000e-03 -1.5667900000e-02  1.1036600000e-02 -3.0375000000e-03  5.7963000000e-03 -3.7212000000e-03 -3.4947000000e-03 -2.6750000000e-03  6.9533000000e-03  2.3050000000e-03  6.8670000000e-04  6.9476000000e-03  4.5135000000e-03 -8.8870000000e-04 -2.0223900000e-02 -4.7930000000e-04  1.1283000000e-03  1.0202000000e-03  1.2103800000e-02  3.0400000000e-05 -8.6339000000e-03 -6.2427000000e-03 -5.2081000000e-03  1.7273900000e-02  1.0977000000e-03  3.2573000000e-03  3.4698000000e-03 -5.6130000000e-03  3.6860000000e-04 -1.1001000000e-03  1.0525200000e-02 -2.1296000000e-03  1.5538000000e-03  5.5346000000e-03 -7.8665000000e-03 -4.2362000000e-03 -7.9461000000e-03  1.6343700000e-02  6.2012000000e-03 -4.8820000000e-04 -2.7057000000e-03  1.5850000000e-04

JOB 155
COORDS  -9.1440000000e-02  2.2456100000e+00 -2.9076000000e-01  5.2527000000e-01  1.9140800000e+00  3.6192000000e-01  1.3970000000e-02  1.6594100000e+00 -1.0400900000e+00 -3.7306300000e+00  1.5512300000e+00  2.3356200000e+00 -4.3722700000e+00  2.0668700000e+00  2.8241300000e+00 -2.9770300000e+00  2.1336700000e+00  2.2404100000e+00  9.3102000000e-01  7.8149000000e-01 -2.4577700000e+00  1.2504800000e+00 -7.8330000000e-02 -2.7314100000e+00  1.0842000000e-01  8.9457000000e-01 -2.9339700000e+00  2.5106000000e+00 -3.0528000000e-01 -3.0116000000e-01  1.7838300000e+00 -8.7951000000e-01 -5.9700000000e-02  2.0952600000e+00  4.3300000000e-01 -7.4689000000e-01 -7.1901000000e-01 -7.1107000000e-01  2.1671600000e+00 -1.6005000000e+00 -9.8631000000e-01  1.9152700000e+00 -5.0042000000e-01 -1.2634200000e+00  2.9177300000e+00  5.1835000000e-01 -1.9998000000e+00  3.3252000000e-01 -1.0411000000e-01 -1.9404200000e+00 -3.9223000000e-01  1.0432000000e-01 -1.5127300000e+00  1.0449700000e+00 -1.4355000000e+00  3.0048800000e+00  2.0267600000e+00 -6.0403000000e-01  3.0344100000e+00  2.5000700000e+00 -1.1848900000e+00  2.9498800000e+00  1.1045900000e+00 -1.3335000000e+00 -1.2974800000e+00 -1.3553500000e+00 -2.0595500000e+00 -1.0843500000e+00 -7.6912000000e-01 -1.7264500000e+00 -1.3135800000e+00 -2.2280200000e+00  4.0478900000e+00 -1.8148900000e+00 -2.2034600000e+00  5.0035200000e+00 -1.8673400000e+00 -2.2193500000e+00  3.8581900000e+00 -1.0604600000e+00 -1.6457100000e+00 -3.1426200000e+00 -8.7475000000e-01  1.2943800000e+00 -3.2989000000e+00  4.3200000000e-03  1.6394200000e+00 -3.9342700000e+00 -1.0818700000e+00  7.9775000000e-01  1.1055800000e+00  1.2060400000e+00  1.7798100000e+00  1.6395300000e+00  4.2817000000e-01  1.6184700000e+00  2.3482000000e-01  8.6225000000e-01  1.9793800000e+00  1.4585600000e+00 -1.7618600000e+00 -3.3362600000e+00  2.3767100000e+00 -1.6488900000e+00 -3.5821900000e+00  1.4883600000e+00 -2.0545700000e+00 -2.4254000000e+00
ENERGY -9.171772563919e+02
EMD0 -3.362215210000e+02
FORCES   1.4823600000e-02 -9.0874000000e-03  5.7681000000e-03 -1.2406900000e-02  1.2979000000e-03 -9.3936000000e-03 -1.2969000000e-03  2.9320000000e-04  5.0448000000e-03  1.0832500000e-02  1.3869000000e-03 -8.4540000000e-04  4.7021000000e-03  5.8165000000e-03 -3.5710000000e-04 -2.0611100000e-02 -7.3239000000e-03  1.2403000000e-03  5.3257000000e-03 -1.5160500000e-02 -3.6595000000e-03 -1.1937000000e-03  1.4523900000e-02  6.9522000000e-03  1.1420000000e-04 -1.5795000000e-03  3.5170000000e-03 -1.5674300000e-02 -1.3777900000e-02  4.9969000000e-03  9.6882000000e-03  2.2438500000e-02 -1.3785000000e-03 -3.0990000000e-04 -6.8270000000e-03  3.4082000000e-03 -6.9367000000e-03  2.2440000000e-03 -1.8656400000e-02  1.5838000000e-02 -4.9500000000e-05  7.8370000000e-03 -3.2354000000e-03 -2.7316000000e-03 -6.8950000000e-03 -2.0077800000e-02  9.8141000000e-03  6.5640000000e-03  2.4589000000e-03  2.0290000000e-03  8.2391000000e-03  4.0970000000e-03 -3.3493000000e-03 -6.7869000000e-03  3.6637000000e-03 -1.7131000000e-03 -7.7099000000e-03  2.0980000000e-04 -2.3910000000e-04 -5.0550000000e-03 -2.2951000000e-03  2.1617000000e-03  1.7028200000e-02  1.3148900000e-02 -3.4703000000e-03  9.0766000000e-03  1.0671000000e-03 -3.6119000000e-03 -1.1488300000e-02 -5.9794000000e-03  3.5502000000e-03  5.7584000000e-03 -6.0107000000e-03 -1.3149000000e-03  8.0030000000e-03 -1.9115000000e-03  5.2534000000e-03  3.5808000000e-03  1.2127700000e-02 -4.1321000000e-03 -1.3583800000e-02  2.7206000000e-03  1.0115300000e-02  1.5562800000e-02  6.7800000000e-03 -1.8639300000e-02 -1.1061500000e-02  8.0290000000e-04  6.8168000000e-03 -2.0794000000e-03 -3.3382000000e-03 -5.7670000000e-03 -5.9932000000e-03 -9.8427000000e-03 -1.3959000000e-03  3.0996000000e-03  7.6171000000e-03  6.9535000000e-03 -5.8682000000e-03  6.5852000000e-03 -9.9281000000e-03 -1.8725000000e-03 -9.1592000000e-03  6.3717000000e-03  3.2110000000e-04 -2.3235000000e-03  9.0318000000e-03 -3.3140000000e-03

JOB 156
COORDS   6.5430000000e-02  2.4952500000e+00 -1.7516000000e-01  4.0607000000e-01  1.9230200000e+00  5.1241000000e-01  8.3214000000e-01  2.7193800000e+00 -7.0256000000e-01 -1.9092800000e+00  1.2105500000e+00  2.2167900000e+00 -9.5426000000e-01  1.1474000000e+00  2.2038300000e+00 -2.0891200000e+00  2.0361900000e+00  2.6664700000e+00  2.1592200000e+00  1.2228100000e+00 -1.7451200000e+00  1.5679900000e+00  1.1511600000e+00 -2.4944900000e+00  2.8010200000e+00  1.8825100000e+00 -2.0080200000e+00  1.5446300000e+00 -1.1406100000e+00 -7.8380000000e-01  1.1181000000e+00 -1.5997300000e+00 -1.5073400000e+00  1.9096000000e+00 -3.5073000000e-01 -1.1826900000e+00  8.9910000000e-02 -1.0986700000e+00  4.0449900000e+00 -5.1856000000e-01 -1.5874300000e+00  3.4908200000e+00  3.6450000000e-02 -1.5294300000e+00  4.8981200000e+00 -9.6841000000e-01 -1.8503800000e+00 -2.5857700000e+00 -1.1588100000e+00 -1.7811100000e+00 -1.6502600000e+00 -1.8193100000e+00 -2.0143800000e+00 -2.9923500000e+00 -2.1025100000e+00  1.7795800000e+00 -1.5170900000e+00 -2.8649300000e+00  1.9124000000e+00 -9.5380000000e-01 -1.3536100000e+00  2.0001900000e+00 -9.6327000000e-01 -1.8407100000e+00 -9.2757000000e-01 -2.2077000000e-01 -1.1561100000e+00 -8.4833000000e-01  4.4351000000e-01 -1.8569000000e+00 -7.3080000000e-02 -6.5183000000e-01  4.1570800000e+00 -7.4391000000e-01  1.0385000000e-01  4.4309200000e+00 -1.5732000000e+00  4.9565000000e-01  3.2531100000e+00 -8.9568000000e-01 -1.7190000000e-01 -2.3638100000e+00 -1.6499600000e+00  2.6021400000e+00 -2.3915100000e+00 -7.0621000000e-01  2.7596300000e+00 -2.7399500000e+00 -1.7586600000e+00  1.7286800000e+00  9.2235000000e-01  3.2922000000e-01  1.5790200000e+00  1.2239100000e+00 -3.1999000000e-01  9.4356000000e-01  1.0478000000e+00 -9.1330000000e-02  2.4296900000e+00  2.9903000000e-01  3.5657000000e-01 -3.5432400000e+00 -3.3543000000e-01  1.0649400000e+00 -3.4341800000e+00 -2.1543000000e-01 -4.4418000000e-01 -3.4414700000e+00
ENERGY -9.171830873579e+02
EMD0 -3.409493150000e+02
FORCES   1.7993000000e-03 -7.6334000000e-03 -2.5740000000e-03 -4.0484000000e-03  9.4068000000e-03 -6.8162000000e-03 -1.3524000000e-03  2.9401000000e-03  3.3573000000e-03  3.1389000000e-03 -1.2286000000e-03 -1.8564000000e-03 -9.6389000000e-03  6.8727000000e-03  3.8248000000e-03  5.1635000000e-03 -1.2736000000e-03 -1.0597000000e-03 -5.1692000000e-03 -1.8301900000e-02 -1.1086000000e-03  1.2713000000e-02  1.3106900000e-02  1.1641800000e-02 -1.0788100000e-02  4.1416000000e-03 -5.5376000000e-03  5.0152000000e-03  9.6486000000e-03 -6.9194000000e-03  3.0471000000e-03  6.7900000000e-03 -2.0100000000e-04 -2.2194000000e-03 -1.7564100000e-02  6.3002000000e-03 -4.4400000000e-03 -5.7520000000e-04  3.5080000000e-04  1.0560700000e-02  3.0542000000e-03  8.7984000000e-03 -4.2607000000e-03 -2.9360000000e-03 -3.1956000000e-03 -2.3756000000e-03  6.0711000000e-03  1.7283000000e-02  4.6918000000e-03 -7.1930000000e-03 -1.6552700000e-02  3.5520000000e-04  3.2586000000e-03  3.2631000000e-03  1.3105000000e-02  1.5220000000e-02  2.3408000000e-03  5.9164000000e-03 -2.2168000000e-03  3.3570000000e-03 -1.8736300000e-02 -1.0617400000e-02 -5.2721000000e-03 -3.5764000000e-03  9.5526000000e-03 -3.0136000000e-03 -4.1187000000e-03  7.3870000000e-04 -5.9803000000e-03  6.3109000000e-03 -1.2536500000e-02  8.1291000000e-03 -6.1623000000e-03 -2.7790000000e-04 -4.1652000000e-03 -3.5009000000e-03  5.7000000000e-04 -1.1102000000e-03  1.6210000000e-03  3.8371000000e-03  2.1181000000e-03 -5.5144000000e-03  4.8689000000e-03 -3.2658000000e-03  1.6287000000e-03 -1.2100100000e-02 -8.5260000000e-04  6.5130000000e-04  2.5382000000e-03  4.4257000000e-03  8.0897000000e-03 -3.1259000000e-03 -2.6333000000e-03 -3.8900000000e-04  3.5922000000e-03  1.4492800000e-02  7.7710000000e-04 -1.0663000000e-03 -1.3737800000e-02 -5.3685000000e-03 -1.9496000000e-02  3.6112000000e-03  6.0794000000e-03 -3.1353000000e-03  1.4116000000e-03  9.9500000000e-04  1.5069800000e-02 -8.8534000000e-03

JOB 157
COORDS   1.4830200000e+00  2.6335000000e+00  1.9515000000e-01  1.4519200000e+00  2.0559100000e+00  9.5782000000e-01  2.4045000000e+00  2.6396200000e+00 -6.3830000000e-02 -2.3021400000e+00  1.7516800000e+00  2.0370600000e+00 -1.3714600000e+00  1.7319400000e+00  1.8141500000e+00 -2.3683000000e+00  2.4050300000e+00  2.7334700000e+00  2.1522300000e+00  6.3461000000e-01 -2.2843600000e+00  1.3912600000e+00  7.0420000000e-02 -2.1470900000e+00  1.8444100000e+00  1.3098600000e+00 -2.8889400000e+00  4.7475800000e+00 -2.9229000000e-01 -1.3052000000e+00  4.5546000000e+00  2.3755000000e-01 -5.3173000000e-01  4.0253600000e+00 -1.1090000000e-01 -1.9066400000e+00 -6.5102000000e-01 -2.3537500000e+00  4.8910000000e-01 -7.0576000000e-01 -3.3069300000e+00  4.2061000000e-01 -3.2759000000e-01 -2.0698900000e+00 -3.6592000000e-01 -2.6189900000e+00 -2.1478400000e+00 -1.7471700000e+00 -3.0097100000e+00 -1.3635100000e+00 -1.3619400000e+00 -2.3794000000e+00 -2.6903800000e+00 -9.9585000000e-01 -8.2293000000e-01  1.5916500000e+00 -1.1888300000e+00 -1.1078100000e+00  2.1172800000e+00 -1.9363500000e+00 -3.3662000000e-01  2.2037200000e+00 -6.3648000000e-01 -3.4518600000e+00  5.1966000000e-01 -6.1658000000e-01 -3.7260200000e+00  7.1958000000e-01  2.7846000000e-01 -2.5996300000e+00  9.4590000000e-01 -7.0740000000e-01  4.1253300000e+00  1.1340300000e+00  1.0317900000e+00  4.3768100000e+00  2.0534600000e+00  1.1191600000e+00  4.0053100000e+00  8.3147000000e-01  1.9319500000e+00 -3.3602000000e+00 -2.1445200000e+00  3.3593500000e+00 -3.4662200000e+00 -2.5102400000e+00  2.4811500000e+00 -4.1786400000e+00 -2.3567000000e+00  3.8080900000e+00  8.2669000000e-01 -3.3701000000e-01  1.5611500000e+00  1.3169000000e+00 -6.1140000000e-02  7.8667000000e-01  2.9941000000e-01 -1.0771200000e+00  1.2603900000e+00 -5.3460000000e-02 -1.1016000000e+00 -1.5898300000e+00 -4.8960000000e-01 -3.2224000000e-01 -1.2454200000e+00 -7.6895000000e-01 -1.6848800000e+00 -1.8429800000e+00
ENERGY -9.171227937292e+02
EMD0 -2.337211380000e+02
FORCES   5.6053000000e-03 -3.8035000000e-03 -6.0250000000e-03  4.8220000000e-04  2.7790000000e-03 -4.3148000000e-03  1.0742000000e-03  3.4306000000e-03  8.0911000000e-03 -6.3330000000e-04 -5.8665000000e-03  3.5565000000e-03 -3.4019000000e-03  8.5855000000e-03  1.5786000000e-03  5.2006000000e-03  1.8650000000e-04 -2.9445000000e-03 -3.2892000000e-03 -5.8751000000e-03  2.6093000000e-03  3.5895000000e-03  1.2389200000e-02 -2.5591000000e-03 -3.4445000000e-03 -2.5721000000e-03  9.0080000000e-04 -4.2335000000e-03  1.0858000000e-03  3.9768000000e-03 -7.1550000000e-04  1.0093000000e-03 -6.7850000000e-03  6.0842000000e-03  1.7150000000e-04  4.3587000000e-03  1.4633300000e-02  1.9826700000e-02 -1.1441800000e-02 -4.1043000000e-03  4.6461000000e-03 -1.2780400000e-02 -1.5300000000e-02 -8.7822000000e-03  2.3553000000e-03 -1.0334900000e-02  8.0512000000e-03  2.8551000000e-03  9.3359000000e-03 -1.4744400000e-02 -2.9024000000e-03  6.3478000000e-03  3.5740000000e-03 -4.3186000000e-03  1.0522200000e-02 -1.8150000000e-04  3.6505000000e-03  1.5598000000e-03  2.1906000000e-03  5.2880000000e-03 -1.4734700000e-02 -2.7900000000e-05 -6.2908000000e-03  2.7774000000e-03  8.7317000000e-03  3.9540000000e-03  4.5090000000e-04  4.4610000000e-04 -5.3378000000e-03 -8.2318000000e-03 -4.8181000000e-03 -7.7850000000e-04  6.0875000000e-03 -1.0290500000e-02 -4.9485000000e-03 -6.3281000000e-03 -2.6148000000e-03  2.6848000000e-03  1.1414000000e-03  9.1826000000e-03 -1.1788000000e-03  3.6883000000e-03  3.0314000000e-03  5.1420000000e-04 -5.1696000000e-03 -1.5569000000e-03  4.2459000000e-03  1.4090000000e-03 -1.5748000000e-03 -5.1704000000e-03 -6.5318000000e-03 -1.9236300000e-02  1.5643000000e-03 -6.6910000000e-03  2.0602000000e-03  3.3741000000e-03  8.6965000000e-03  1.2193400000e-02 -7.6968000000e-03 -1.4601600000e-02 -4.5387000000e-03  3.0271000000e-03  4.0055000000e-03 -1.4716600000e-02  2.8290000000e-04  1.5054200000e-02 -2.3716000000e-03  2.6605100000e-02

JOB 158
COORDS   1.5844100000e+00  2.7703100000e+00 -1.1473200000e+00  1.7875600000e+00  3.0596900000e+00 -2.5781000000e-01  2.1454400000e+00  2.0071600000e+00 -1.2854200000e+00 -2.4122000000e+00  6.2128000000e-01  2.5710700000e+00 -3.1184200000e+00  8.1915000000e-01  3.1861400000e+00 -2.3381500000e+00 -3.3287000000e-01  2.5895700000e+00  2.4718400000e+00  3.2318000000e-01 -2.1562800000e+00  1.5462100000e+00  1.4779000000e-01 -2.3256200000e+00  2.9330800000e+00 -1.0492000000e-01 -2.8775400000e+00  3.0835800000e+00 -8.8554000000e-01  2.8133000000e-01  2.6808700000e+00 -2.3180000000e-01  8.5288000000e-01  2.7967800000e+00 -6.4370000000e-01 -5.9929000000e-01 -1.1532000000e-01 -1.3955000000e+00  4.3710000000e-01  7.7117000000e-01 -1.6748100000e+00  2.0831000000e-01 -4.8309000000e-01 -1.0679800000e+00 -3.8370000000e-01 -2.7194800000e+00 -9.6400000000e-01 -3.9557000000e-01 -2.7616200000e+00 -1.2567900000e+00  5.1477000000e-01 -2.6637600000e+00 -1.0130000000e-02 -3.3855000000e-01 -4.9961000000e-01  2.2275000000e+00 -2.9601800000e+00 -1.2247800000e+00  2.7711700000e+00 -2.6523000000e+00  2.4395000000e-01  2.4892700000e+00 -2.4172000000e+00 -2.4078600000e+00  1.6401900000e+00  3.9330000000e-02 -2.6663900000e+00  1.3906300000e+00  9.2653000000e-01 -1.4681200000e+00  1.8109400000e+00  1.0228000000e-01  8.7260000000e-02  1.1931900000e+00  1.5557100000e+00 -4.3605000000e-01  1.0362500000e+00  2.3416800000e+00  1.2847000000e-01  3.4149000000e-01  1.1208100000e+00 -1.7682000000e+00 -1.9269100000e+00  2.2813500000e+00 -1.5611300000e+00 -2.7623200000e+00  2.7002100000e+00 -1.1336300000e+00 -1.8519900000e+00  1.5686500000e+00  2.8981800000e+00 -3.1906400000e+00  1.6752000000e+00  3.2371800000e+00 -3.6844800000e+00  9.2858000000e-01  2.9777100000e+00 -2.2736500000e+00  1.4124400000e+00 -2.0450000000e-01 -3.8086000000e-01 -2.1968500000e+00 -5.0944000000e-01  4.8755000000e-01 -2.4597300000e+00 -8.4007000000e-01 -9.8483000000e-01 -2.5809200000e+00
ENERGY -9.171875577112e+02
EMD0 -3.454520430000e+02
FORCES  -1.5955000000e-03  5.6300000000e-05 -2.7446000000e-03  7.9624000000e-03 -5.1222000000e-03 -2.8694000000e-03 -6.6077000000e-03  6.6159000000e-03  8.7615000000e-03  1.1338800000e-02 -1.3028100000e-02 -6.2496000000e-03  4.5540000000e-04 -6.0979000000e-03 -2.2627000000e-03 -7.4078000000e-03  1.9151000000e-02 -2.8950000000e-04 -6.9399000000e-03  3.6802000000e-03 -2.4249000000e-03  1.7054600000e-02  6.9451000000e-03  8.4260000000e-04 -6.8208000000e-03 -3.5217000000e-03  1.1235000000e-03  6.9641000000e-03 -3.6460000000e-04 -1.0906000000e-02 -2.0462000000e-03 -6.3935000000e-03 -4.5339000000e-03 -3.6200000000e-03 -5.3440000000e-03  1.5213500000e-02 -1.8123400000e-02 -4.2733000000e-03  3.2924000000e-03 -6.9303000000e-03  7.2323000000e-03 -6.3232000000e-03  1.3266800000e-02 -3.7072000000e-03  1.2476400000e-02 -2.1691000000e-03  1.4756400000e-02  2.0509000000e-03  4.7886000000e-03  9.3813000000e-03 -1.0318000000e-03  1.3993000000e-03 -1.6301200000e-02  9.0353000000e-03  6.9135000000e-03  7.0906000000e-03  4.6640000000e-04  5.1082000000e-03  7.3460000000e-04  1.6448000000e-03 -1.2226800000e-02 -8.7399000000e-03 -7.3330000000e-03  3.2349000000e-03 -4.6592000000e-03  1.5199900000e-02 -1.3977000000e-03 -3.4294000000e-03 -1.4450400000e-02 -6.7801000000e-03 -1.8902000000e-03 -4.8168000000e-03 -1.0335200000e-02 -8.1955000000e-03  3.3273000000e-03  6.4309000000e-03 -3.9661000000e-03 -3.4548000000e-03  9.2450000000e-04  9.5501000000e-03  2.9849000000e-03  1.2897300000e-02  9.0960000000e-03 -1.3757900000e-02  6.1022000000e-03 -3.5220000000e-04 -5.9079000000e-03 -1.5080100000e-02 -3.5032000000e-03  1.2600700000e-02  4.3870000000e-03  9.7303000000e-03 -5.2049000000e-03 -1.3384000000e-03  1.9586000000e-03 -3.8670000000e-04 -3.0769000000e-03 -3.6138000000e-03  5.1205000000e-03 -4.3575000000e-03  1.3755100000e-02 -3.3632000000e-03  7.4298000000e-03 -2.3108400000e-02  3.7142000000e-03  1.9500000000e-04  5.8778000000e-03  4.5630000000e-04

JOB 159
COORDS   4.6281000000e-01  9.6109000000e-01  4.8230000000e-01  6.3177000000e-01  1.9027000000e+00  4.4980000000e-01  1.0302900000e+00  5.9194000000e-01 -1.9440000000e-01 -1.9016200000e+00  1.4836700000e+00  1.5836000000e+00 -1.1991400000e+00  9.8424000000e-01  1.1672800000e+00 -1.4730800000e+00  2.2754900000e+00  1.9085700000e+00  2.0950800000e+00 -1.5317000000e-01 -1.3321100000e+00  1.9795000000e+00  2.5676000000e-01 -2.1893300000e+00  2.8554000000e+00 -7.2460000000e-01 -1.4399100000e+00  3.2327100000e+00 -1.7362900000e+00  1.7052300000e+00  3.1765000000e+00 -2.2810200000e+00  2.4903100000e+00  3.0425800000e+00 -8.5034000000e-01  2.0137300000e+00 -8.9817000000e-01 -1.3369300000e+00  6.2080000000e-01 -4.4426000000e-01 -1.9623900000e+00  5.6010000000e-02 -5.2974000000e-01 -4.8643000000e-01  3.8176000000e-01 -2.5516700000e+00  2.8765000000e-01 -1.7651800000e+00 -2.3826300000e+00 -4.4190000000e-01 -1.1690100000e+00 -3.0742800000e+00  9.0233000000e-01 -1.2501200000e+00 -6.8481000000e-01  3.9507000000e-01 -3.9136700000e+00 -1.1243000000e+00  1.0203900000e+00 -4.4899100000e+00 -1.3197900000e+00  2.2191000000e-01 -3.2186500000e+00 -4.1372600000e+00  1.7031900000e+00  7.0780000000e-02 -4.6713500000e+00  9.6093000000e-01  3.5368000000e-01 -3.4224200000e+00  1.7405000000e+00  7.0627000000e-01  2.7522000000e-01 -1.1725700000e+00  3.3047100000e+00 -2.8560000000e-01 -1.6193800000e+00  2.6706100000e+00 -1.8537000000e-01 -3.5632000000e-01  3.4991700000e+00 -2.2122400000e+00  1.0298500000e+00  4.1643400000e+00 -2.8266600000e+00  3.6761000000e-01  4.4808100000e+00 -2.1958400000e+00  9.0788000000e-01  3.2150800000e+00  4.3979100000e+00 -1.9133800000e+00 -1.0675500000e+00  5.2081000000e+00 -2.4167400000e+00 -1.1478800000e+00  4.2523300000e+00 -1.8419000000e+00 -1.2419000000e-01  1.9137000000e+00  4.8856000000e-01 -3.8450100000e+00  9.5957000000e-01  5.3956000000e-01 -3.9022300000e+00  2.1443400000e+00 -2.8239000000e-01 -4.3633500000e+00
ENERGY -9.171624855572e+02
EMD0 -3.014854370000e+02
FORCES   7.8907000000e-03 -1.7733200000e-02 -8.7908000000e-03  7.2300000000e-04 -2.4278000000e-03 -5.4900000000e-04 -2.1502900000e-02  1.7743900000e-02  1.2894300000e-02  6.6858000000e-03 -5.6531000000e-03 -5.2131000000e-03 -7.4501000000e-03  3.1831000000e-03  6.8083000000e-03  1.9208000000e-03 -5.1297000000e-03 -1.8766000000e-03  8.0705000000e-03 -1.3474000000e-03 -1.8462400000e-02 -2.0116000000e-03 -3.4865000000e-03  1.6463100000e-02 -6.8445000000e-03  6.8203000000e-03 -5.6957000000e-03 -7.8529000000e-03 -9.2310000000e-04  1.1726000000e-03  2.3534000000e-03  3.7745000000e-03  5.2610000000e-04  5.6260000000e-03 -3.0949000000e-03  2.6139000000e-03  1.1992600000e-02  8.8652000000e-03  4.8138000000e-03 -2.2398000000e-03  4.1855000000e-03 -7.5700000000e-04 -7.0965000000e-03 -3.0716000000e-03 -1.9376000000e-03 -1.0817000000e-02  1.0936000000e-02  6.5872000000e-03 -2.2767000000e-03  5.8786000000e-03 -1.6296000000e-03  1.0952500000e-02 -1.3972300000e-02 -2.6559000000e-03  3.1677000000e-03 -4.4460000000e-03  1.1909400000e-02 -3.1300000000e-04 -4.9920000000e-04  2.9822000000e-03  7.4116000000e-03  9.2620000000e-04 -1.5783900000e-02  5.5175000000e-03  6.6217000000e-03  8.5157000000e-03  6.6232000000e-03 -5.2850000000e-04  1.1065000000e-03 -1.1512500000e-02 -4.3790000000e-03 -8.1008000000e-03 -1.7674000000e-03  5.3420000000e-04 -4.9145000000e-03 -9.0230000000e-04  1.8123000000e-03  8.9986000000e-03  9.6600000000e-05 -4.4942000000e-03 -5.2472000000e-03  3.0900000000e-05  7.1128000000e-03 -9.2064000000e-03  4.9560000000e-04 -2.8200000000e-04 -7.5291000000e-03  5.7860000000e-04 -3.6662000000e-03  1.1017000000e-02 -3.1251000000e-03  3.6630000000e-04 -1.1510000000e-04 -7.9280000000e-04 -4.0300000000e-04  7.2548000000e-03  9.2083000000e-03 -4.4500000000e-04 -1.2508200000e-02 -1.6335600000e-02 -1.4269000000e-03  7.2421000000e-03  1.8311800000e-02 -2.1190000000e-03  5.3360000000e-04 -4.8163000000e-03  7.6810000000e-04 -4.6620000000e-04

JOB 160
COORDS  -2.3673000000e-01  1.3907900000e+00  1.6672000000e-01 -9.9995000000e-01  1.1170800000e+00 -3.4201000000e-01  3.0070000000e-01  6.0178000000e-01  2.3650000000e-01 -2.7178900000e+00  3.6924500000e+00  1.1008500000e+00 -1.9514000000e+00  3.1381400000e+00  9.5432000000e-01 -2.4369600000e+00  4.5667300000e+00  8.3079000000e-01  1.4200300000e+00 -1.4108500000e+00 -3.9814000000e-01  1.3768800000e+00 -8.8444000000e-01 -1.1964300000e+00  2.0910100000e+00 -2.0687100000e+00 -5.8046000000e-01  4.5583600000e+00 -9.9464000000e-01  2.0929700000e+00  3.6276200000e+00 -7.7115000000e-01  2.0908300000e+00  4.9157000000e+00 -5.2711000000e-01  2.8479200000e+00 -1.4537000000e+00 -2.3512400000e+00 -9.9783000000e-01 -2.2059900000e+00 -2.6814000000e+00 -5.0663000000e-01 -8.1357000000e-01 -3.0620400000e+00 -9.6288000000e-01 -1.8292100000e+00  5.4410000000e-01 -1.5426900000e+00 -1.7467800000e+00 -4.0937000000e-01 -1.5612500000e+00 -2.6776500000e+00  7.0363000000e-01 -1.1292700000e+00 -9.6123000000e-01  1.6545300000e+00 -3.9755100000e+00 -1.7330400000e+00  2.0776000000e+00 -4.3517500000e+00 -1.2653700000e+00  1.2995700000e+00 -3.1402000000e+00 -3.5730600000e+00  1.1245000000e+00  6.4361000000e-01 -3.6990400000e+00  2.0442300000e+00  4.1024000000e-01 -3.2042100000e+00  1.1493000000e+00  1.5265400000e+00  9.4270000000e-01 -1.1965600000e+00  2.4003800000e+00  1.0369200000e+00 -1.2769700000e+00  1.4512200000e+00  1.1143000000e+00 -2.0771600000e+00  2.7340400000e+00 -1.0604500000e+00  8.0323000000e-01  3.0769200000e+00 -6.9159000000e-01  1.2884100000e+00  2.3388300000e+00 -4.9031000000e-01  4.0190000000e-02  3.1715000000e+00  3.5521100000e+00 -3.0085600000e+00  4.4452000000e-01  4.1156600000e+00 -2.6514600000e+00  1.1309100000e+00  4.1019400000e+00 -3.6473200000e+00 -9.2600000000e-03  1.3227400000e+00 -1.1810000000e-01 -2.9599100000e+00  1.2249500000e+00  6.5573000000e-01 -3.5147600000e+00  6.0039000000e-01 -6.9091000000e-01 -3.2174600000e+00
ENERGY -9.171515228084e+02
EMD0 -2.783023260000e+02
FORCES  -1.4564300000e-02 -1.2835200000e-02 -2.6527400000e-02  6.0330000000e-04  2.0894000000e-03  8.4608000000e-03 -4.6642000000e-03  1.5000000000e-04 -7.8740000000e-04 -9.1950000000e-04 -5.4200000000e-04  6.0816000000e-03 -8.7450000000e-03  4.6319000000e-03 -2.8341000000e-03  3.4588000000e-03 -4.1002000000e-03 -1.1006000000e-03  6.5142000000e-03  3.9840000000e-03 -4.6800000000e-04  9.2430000000e-04 -1.3662900000e-02  6.7017000000e-03 -1.0743500000e-02  3.7420000000e-03 -1.1889300000e-02  2.3359000000e-03  1.4182000000e-03 -3.3900000000e-03  8.2635000000e-03 -2.7159000000e-03  4.0124000000e-03 -5.7888000000e-03  1.6802000000e-03 -8.7400000000e-04  6.5508000000e-03  1.9964000000e-03  1.7015000000e-03  4.7614000000e-03 -3.2778000000e-03 -1.6063000000e-03 -8.2632000000e-03 -5.0274000000e-03  1.1862000000e-03  1.4044600000e-02  3.5561000000e-03  2.0315800000e-02 -6.7956000000e-03  1.3191700000e-02 -1.8707000000e-03  1.0565500000e-02 -1.5315000000e-03 -8.8339000000e-03 -1.1187000000e-03 -5.4780000000e-04  7.4953000000e-03 -2.1520000000e-03 -2.2245000000e-03  5.2308000000e-03  6.5300000000e-04  4.3170000000e-03 -1.4398400000e-02  6.3430000000e-04  3.2400000000e-03  1.0953000000e-02  5.6768000000e-03 -8.3347000000e-03 -3.9627000000e-03 -4.1967000000e-03  6.3415000000e-03 -5.8439000000e-03 -4.4983000000e-03  2.2590000000e-03 -1.0426100000e-02  1.8000000000e-04 -2.7271000000e-03  1.7443600000e-02  1.0591000000e-03  1.1121000000e-03 -4.2529000000e-03  8.1161000000e-03 -4.7046000000e-03 -3.7710000000e-03 -2.7069000000e-03 -2.0675000000e-03  7.6858000000e-03 -3.9257000000e-03  6.7090000000e-03  2.5679000000e-03  7.4000000000e-04  1.1347100000e-02  5.9420000000e-03 -3.1801000000e-03 -1.2071700000e-02 -6.4965000000e-03  1.7439000000e-03  2.3708000000e-03  3.3902000000e-03  2.1107000000e-03  9.4132000000e-03 -2.0392000000e-03  6.8690000000e-04 -8.2013000000e-03 -1.7085000000e-03  2.6396000000e-03  1.0228000000e-03  3.9123000000e-03

JOB 161
COORDS   4.4822000000e-01 -1.2440000000e-02  5.6864000000e-01 -1.9130000000e-02  6.2509000000e-01  2.8850000000e-02  8.0376000000e-01 -6.4267000000e-01 -5.7970000000e-02 -3.8859400000e+00  4.0259200000e+00  9.2113000000e-01 -4.3448300000e+00  3.8997500000e+00  9.0630000000e-02 -4.1354800000e+00  4.9063400000e+00  1.2018600000e+00  1.4020200000e+00 -1.8517800000e+00 -1.2498500000e+00  1.5843700000e+00 -1.3528100000e+00 -2.0461000000e+00  2.2587700000e+00 -1.9713700000e+00 -8.4009000000e-01  2.6750900000e+00 -1.0025800000e+00  1.8652700000e+00  2.3871700000e+00 -1.4129600000e+00  2.6807000000e+00  1.8706400000e+00 -6.7092000000e-01  1.4664200000e+00 -1.8706800000e+00 -1.9049700000e+00 -1.7600900000e+00 -1.3424700000e+00 -2.3980700000e+00 -1.1323300000e+00 -1.4618100000e+00 -2.0801300000e+00 -2.6076500000e+00 -1.5986500000e+00  9.1406000000e-01 -1.2229300000e+00 -1.7678200000e+00  2.3280000000e-02 -1.5297200000e+00 -2.0579200000e+00  9.7058000000e-01 -3.8501000000e-01  3.7062000000e-01  1.4568300000e+00 -2.8131400000e+00  8.1347000000e-01  2.2034300000e+00 -2.4097600000e+00 -4.0416000000e-01  1.3148600000e+00 -2.2692800000e+00 -2.7139400000e+00  1.4469700000e+00  1.0955000000e+00 -3.2673000000e+00  2.2271700000e+00  1.1317500000e+00 -2.3470800000e+00  1.3718100000e+00  1.9764100000e+00  5.9923000000e-01 -1.7144900000e+00  4.0308900000e+00  1.6968000000e-01 -8.7129000000e-01  3.8869100000e+00 -1.2047000000e-01 -2.3418100000e+00  4.0997300000e+00 -5.6986000000e-01  9.3468000000e-01  2.9652400000e+00 -7.3900000000e-02  7.4268000000e-01  2.1693800000e+00 -2.5870000000e-02  1.5619200000e+00  3.4415500000e+00  3.9837400000e+00 -1.5068900000e+00 -4.2548000000e-01  3.9996400000e+00 -1.1771200000e+00  4.7298000000e-01  4.8608800000e+00 -1.3257500000e+00 -7.6317000000e-01  1.1435000000e+00 -9.5431000000e-01 -3.9991200000e+00  2.0046500000e+00 -8.7109000000e-01 -4.4086600000e+00  8.9287000000e-01 -5.6210000000e-02 -3.7827200000e+00
ENERGY -9.171828208330e+02
EMD0 -3.382991560000e+02
FORCES   1.5207000000e-03 -1.4624000000e-02 -1.5239300000e-02  7.0517000000e-03 -2.9968000000e-03  6.9475000000e-03 -1.4166000000e-03  1.9098800000e-02  1.7446100000e-02  5.1723000000e-03 -8.4610000000e-04  4.4754000000e-03 -1.1500000000e-04  2.4852000000e-03  4.9161000000e-03 -2.9523000000e-03 -1.0134000000e-03 -6.8741000000e-03  9.8875000000e-03 -3.9129000000e-03 -1.0231000000e-02  6.2322000000e-03  1.3615000000e-03  1.3876400000e-02 -1.2258700000e-02  4.8716000000e-03 -2.5336000000e-03 -6.0660000000e-03  1.8600000000e-04 -3.8654000000e-03  6.1300000000e-05  5.3923000000e-03 -5.6263000000e-03  3.0363000000e-03 -7.8916000000e-03  1.2761000000e-03  7.0500000000e-04 -3.2128000000e-03  1.9192000000e-03 -3.5505000000e-03 -1.2252000000e-03 -4.2987000000e-03 -1.8275000000e-03 -5.5000000000e-06  4.5914000000e-03 -5.5680000000e-03  2.1500000000e-03  9.4189000000e-03  2.0453000000e-03  1.6053400000e-02  3.8264000000e-03  9.2260000000e-03 -1.1523700000e-02 -1.6451000000e-02 -1.7351000000e-02 -4.5938000000e-03  1.0549500000e-02 -4.3645000000e-03  5.3300000000e-05  3.5582000000e-03  1.4824900000e-02  8.2660000000e-04 -8.1057000000e-03  6.6487000000e-03  1.2574000000e-03 -4.3013000000e-03  1.9145000000e-03 -8.2478000000e-03  2.6948000000e-03 -1.1233200000e-02  6.8840000000e-03 -4.4943000000e-03 -1.9830000000e-03  1.8491000000e-03 -3.8390000000e-04  3.4025000000e-03 -1.0402700000e-02  3.4837000000e-03 -1.9043000000e-03  4.7071000000e-03  6.0760000000e-04 -9.5810000000e-04 -2.1862000000e-03 -1.1994200000e-02 -2.5806000000e-03  1.1660300000e-02  1.4291300000e-02  2.8728000000e-03 -3.6753000000e-03 -4.8432000000e-03 -1.3173400000e-02 -3.0969000000e-03  4.6145000000e-03  1.3012300000e-02  1.2218000000e-03 -1.4214600000e-02  4.8030000000e-04  3.7654000000e-03  8.3153000000e-03 -8.4679000000e-03  5.1556000000e-03 -1.7998000000e-03 -1.1127000000e-03  4.9992000000e-03  4.2305000000e-03  8.7890000000e-03 -1.4523900000e-02 -5.7824000000e-03

JOB 162
COORDS   1.2370900000e+00  1.0051400000e+00 -4.2265000000e-01  6.4968000000e-01  1.2517300000e+00 -1.1370500000e+00  1.1776900000e+00  5.0660000000e-02 -3.8172000000e-01 -4.4304900000e+00  7.4693000000e-01  2.0591100000e+00 -4.7695100000e+00  6.0647000000e-01  1.1750500000e+00 -5.1950400000e+00  1.0131100000e+00  2.5698500000e+00  1.0943000000e+00 -1.8586300000e+00 -8.6076000000e-01  1.3927700000e+00 -1.7946400000e+00 -1.7679800000e+00  1.5053300000e+00 -2.6567300000e+00 -5.2861000000e-01  2.3707200000e+00 -2.5145800000e+00  2.8978900000e+00  2.9733300000e+00 -1.9957500000e+00  2.3650600000e+00  1.5708500000e+00 -1.9901200000e+00  2.9350600000e+00 -1.2844100000e+00 -1.3566800000e+00 -1.6698000000e+00 -5.0077000000e-01 -1.8395300000e+00 -1.4071400000e+00 -1.0566500000e+00 -9.7159000000e-01 -2.5160000000e+00 -1.6847400000e+00  1.7119300000e+00 -1.5196900000e+00 -1.6176200000e+00  7.6103000000e-01 -1.4329800000e+00 -2.0659900000e+00  2.0021500000e+00 -6.9105000000e-01 -5.5978000000e-01  1.3666200000e+00 -3.9156700000e+00 -9.7565000000e-01  1.6217500000e+00 -3.0921500000e+00 -1.1314300000e+00  1.7253800000e+00 -4.5944400000e+00 -2.1869200000e+00  2.5020900000e+00  1.1306000000e+00 -2.8898500000e+00  1.9902400000e+00  1.5307800000e+00 -1.4212400000e+00  2.3271200000e+00  1.6777300000e+00  9.9881000000e-01  5.2810000000e-02  3.4113800000e+00  1.7916800000e+00  3.5912000000e-01  3.8515600000e+00  5.3129000000e-01  8.5371000000e-01  3.1743000000e+00  4.3916000000e-01  2.5636800000e+00  1.9048400000e+00  8.2713000000e-01  2.2169300000e+00  1.1014200000e+00  4.0777000000e-01  3.5103800000e+00  1.7670100000e+00  2.6842900000e+00 -3.7788500000e+00  5.3700000000e-01  2.6528300000e+00 -3.6189400000e+00  1.4802300000e+00  2.5413500000e+00 -4.7211700000e+00  4.4845000000e-01  1.3689800000e+00 -4.9319000000e-01 -3.4990400000e+00  2.1816100000e+00  9.2700000000e-03 -3.5573900000e+00  6.8809000000e-01  1.1826000000e-01 -3.7796700000e+00
ENERGY -9.171764577719e+02
EMD0 -3.202308930000e+02
FORCES   1.2470000000e-04 -1.1942600000e-02 -1.9887000000e-03  3.0148000000e-03 -4.8030000000e-03  1.8840000000e-03 -1.9997000000e-03  1.3131800000e-02 -4.1980000000e-03  6.5270000000e-04 -4.6850000000e-03  3.8598000000e-03 -1.5779000000e-03  4.5073000000e-03  4.5092000000e-03 -9.3800000000e-04 -1.3963000000e-03 -5.9255000000e-03 -3.6232000000e-03  2.1126000000e-03  5.3557000000e-03 -5.6270000000e-03 -1.0740200000e-02  1.1537200000e-02 -8.6402000000e-03  7.6352000000e-03 -1.7128300000e-02 -7.6337000000e-03  4.2187000000e-03  2.8712000000e-03 -3.4972000000e-03 -7.4016000000e-03 -2.8364000000e-03  8.6842000000e-03 -5.6909000000e-03 -3.1985000000e-03  1.9790100000e-02 -1.4343700000e-02  1.0427900000e-02 -6.5801000000e-03  1.6305000000e-03 -1.3860800000e-02  1.9783000000e-03  2.5091000000e-03  7.4432000000e-03 -4.2883000000e-03  8.6628000000e-03  1.2539600000e-02  2.4917000000e-03  1.4223500000e-02 -5.6074000000e-03 -2.0343000000e-03 -1.4208200000e-02 -1.5213400000e-02 -3.5000000000e-05  2.7979000000e-03  1.1698500000e-02  3.9859000000e-03 -9.4478000000e-03 -1.5041100000e-02 -3.2207000000e-03  2.2616000000e-03  4.9251000000e-03  1.0881200000e-02  1.6886000000e-03  4.8847000000e-03  1.1347600000e-02  3.3606000000e-03 -4.1526000000e-03 -1.5093400000e-02 -7.6360000000e-04  2.0085000000e-03 -4.3909000000e-03  4.8445000000e-03 -2.9292000000e-03 -2.2110000000e-03  1.4536000000e-03 -1.8839000000e-03  4.5466000000e-03 -4.8570000000e-03  7.4607000000e-03  2.4102000000e-03 -6.7021000000e-03 -7.7325000000e-03 -5.2352000000e-03  1.7861600000e-02  1.2630500000e-02  4.2230000000e-04 -4.0671000000e-03 -5.5437000000e-03  1.2841000000e-03  9.4448000000e-03  1.3954500000e-02  7.4304000000e-03 -7.0487000000e-03 -1.2770100000e-02 -1.5348000000e-03  2.5304000000e-03  5.0150000000e-03 -9.9537000000e-03  8.8399000000e-03 -6.0879000000e-03 -3.4459000000e-03  2.0758000000e-03 -1.9130000000e-03  1.2515400000e-02 -7.6931000000e-03  5.0058000000e-03

JOB 163
COORDS   1.8643300000e+00  1.4342300000e+00  2.2970700000e+00  9.8358000000e-01  1.4684000000e+00  2.6703500000e+00  1.7236400000e+00  1.4279700000e+00  1.3502800000e+00 -9.2488000000e-01 -3.7107000000e-01  1.3426400000e+00 -5.2648000000e-01 -8.3340000000e-01  6.0524000000e-01 -3.3596000000e-01 -5.3980000000e-01  2.0781300000e+00  1.0465000000e-01 -1.6745200000e+00 -8.6167000000e-01 -5.5906000000e-01 -2.0624100000e+00 -1.4319900000e+00  5.6260000000e-01 -2.4243600000e+00 -4.8185000000e-01  7.2498000000e-01 -1.2011200000e+00  3.9659100000e+00  1.6212500000e+00 -1.0428200000e+00  4.2623300000e+00  4.3995000000e-01 -1.9682200000e+00  4.4624400000e+00 -2.0443200000e+00 -8.9988000000e-01 -3.0305500000e+00 -1.5696200000e+00 -6.2472000000e-01 -3.8148900000e+00 -2.8939900000e+00 -1.1969900000e+00 -3.3561500000e+00 -1.5250800000e+00  1.4010000000e+00 -1.6658900000e+00 -1.8143700000e+00  5.4147000000e-01 -1.9720600000e+00 -2.2256900000e+00  1.6970500000e+00 -1.0847400000e+00 -3.2800000000e-03  2.5219800000e+00 -3.6268000000e+00 -7.0783000000e-01  2.2900100000e+00 -3.0217900000e+00  7.9983000000e-01  2.3797400000e+00 -3.1257900000e+00 -3.3314300000e+00  8.3906000000e-01  6.8148000000e-01 -2.5388600000e+00  4.6978000000e-01  1.0709500000e+00 -4.0110800000e+00  1.8855000000e-01  8.5793000000e-01  3.2516400000e+00  3.3440000000e-02  4.1822300000e+00  3.3172400000e+00  6.8250000000e-01  4.8827000000e+00  2.9490800000e+00  5.3039000000e-01  3.4221500000e+00  9.5648000000e-01  9.8161000000e-01 -3.5032000000e-01  2.2760000000e-02  1.1244000000e+00 -5.0530000000e-01  1.1105900000e+00  7.8770000000e-02 -6.2846000000e-01  1.0522800000e+00 -3.0703900000e+00  2.0084100000e+00  7.9294000000e-01 -2.3078300000e+00  2.5255900000e+00  1.9544500000e+00 -3.2461000000e+00  2.2757200000e+00 -8.7180000000e-02  1.4210000000e-01 -4.9741300000e+00  2.5818000000e-01  1.6670000000e-01 -5.8665100000e+00  5.4270000000e-02  1.0269600000e+00 -4.6375800000e+00
ENERGY -9.171950027335e+02
EMD0 -3.483631710000e+02
FORCES  -1.1513000000e-03 -1.5159000000e-03 -1.3178100000e-02  1.5865000000e-03 -1.5570000000e-04 -2.2429000000e-03  1.8942000000e-03  3.7177000000e-03  1.7672700000e-02  5.6773000000e-03 -7.6060000000e-04 -1.2066200000e-02  1.0125000000e-03  4.2352000000e-03  1.3478500000e-02  1.1273000000e-03 -3.6967000000e-03 -9.3070000000e-03 -2.2597000000e-03  7.3264000000e-03 -1.6981000000e-03  6.6590000000e-03 -8.2326000000e-03  8.3676000000e-03 -6.3904000000e-03  2.7263000000e-03 -8.3682000000e-03  1.1072700000e-02  9.3339000000e-03  1.1147000000e-03 -1.8060300000e-02 -1.4786200000e-02  1.4823000000e-03  8.3829000000e-03 -2.1360000000e-04 -4.5553000000e-03  5.9657000000e-03  5.3786000000e-03 -3.0927000000e-03 -1.6635900000e-02 -3.8259000000e-03  1.0517500000e-02  3.8547000000e-03  1.0947000000e-03 -4.5848000000e-03 -1.9612000000e-03 -1.0551700000e-02 -6.4520000000e-03  1.7760000000e-03  1.4067300000e-02  7.2921000000e-03  5.1831000000e-03 -2.8753000000e-03 -7.0615000000e-03 -1.1849800000e-02  2.2867000000e-03  1.2375800000e-02  1.0927800000e-02  2.1929000000e-03 -1.1568300000e-02 -2.9898000000e-03 -3.7981000000e-03 -4.1151000000e-03  8.1916000000e-03 -2.5286000000e-03  4.8279000000e-03 -1.6266300000e-02  3.6449000000e-03 -4.0110000000e-03  4.0343000000e-03 -2.0464000000e-03  2.2393000000e-03  5.6000000000e-04  8.6719000000e-03 -1.3684100000e-02 -2.8324000000e-03  1.2906000000e-03 -3.4592000000e-03  5.9342000000e-03 -7.1356000000e-03  1.7791900000e-02 -1.6606500000e-02 -5.6039000000e-03 -2.8947000000e-03  9.1497000000e-03 -5.0030000000e-03  4.7551000000e-03 -4.1900000000e-05  3.5241000000e-03  3.2757000000e-03 -1.9184000000e-03  8.5705000000e-03  1.1889900000e-02  1.2090000000e-03 -8.5183000000e-03 -4.0271000000e-03 -2.6320000000e-03  2.0944000000e-03  1.7169000000e-03  2.3363000000e-03  1.2446900000e-02  7.4256000000e-03  1.9739000000e-03  6.5518000000e-03  2.2913000000e-03  3.0872000000e-03 -1.7906400000e-02 -1.2148300000e-02

JOB 164
COORDS  -4.2327000000e-01  2.6550300000e+00  1.9533300000e+00 -1.1832600000e+00  2.4178500000e+00  2.4847400000e+00 -7.9478000000e-01  2.9564500000e+00  1.1242600000e+00 -2.4644500000e+00  1.0315000000e-01  2.1472400000e+00 -1.8933000000e+00 -6.2555000000e-01  1.9043000000e+00 -2.5486200000e+00  3.5340000000e-02  3.0983200000e+00 -3.3947000000e-01 -1.5699200000e+00  1.2232600000e+00 -9.4420000000e-02 -1.3600900000e+00  3.2206000000e-01 -4.2589000000e-01 -2.5231600000e+00  1.2327200000e+00  2.6685200000e+00 -2.2016400000e+00  1.8655000000e+00  2.3505300000e+00 -1.3060900000e+00  1.9799600000e+00  3.5167800000e+00 -2.2136200000e+00  2.3088400000e+00  2.8787000000e-01 -8.3254000000e-01 -1.4192900000e+00  3.3221000000e-01 -7.5524000000e-01 -2.3723300000e+00  1.2022700000e+00 -8.7004000000e-01 -1.1387600000e+00 -7.6076000000e-01  1.8628000000e+00 -1.1314100000e+00 -5.4217000000e-01  9.3096000000e-01 -1.1418300000e+00 -1.5878800000e+00  1.9099400000e+00 -6.5195000000e-01 -6.2796000000e-01  2.5086500000e+00 -3.7343200000e+00 -7.0124000000e-01  2.4628400000e+00 -2.7810300000e+00 -1.5081700000e+00  2.7386800000e+00 -4.0319000000e+00 -3.4149600000e+00  1.8517400000e+00  1.3425000000e-01 -3.2372900000e+00  1.3001100000e+00  8.9606000000e-01 -3.8274200000e+00  1.2627600000e+00 -4.9758000000e-01  1.7563700000e+00  6.0145000000e-01  2.2096500000e+00  8.0398000000e-01  6.9280000000e-01  2.1804500000e+00  2.0632200000e+00  1.4142900000e+00  2.6113500000e+00  2.9523100000e+00 -6.0181000000e-01 -4.0515000000e-01  2.8133400000e+00  1.6163000000e-01  1.5528000000e-01  2.9024600000e+00 -1.3492300000e+00  1.9077000000e-01  5.9097000000e-01 -4.0895100000e+00  1.4574600000e+00  1.2692700000e+00 -3.4736200000e+00  1.7346500000e+00  1.0022600000e+00 -4.6023000000e+00  7.6167000000e-01 -2.2692000000e-01 -2.5859000000e-01 -4.3661300000e+00  6.3796000000e-01 -3.1324000000e-01 -4.7726100000e+00 -5.0851000000e-01  6.4299000000e-01 -4.5213600000e+00
ENERGY -9.171891446697e+02
EMD0 -3.448829320000e+02
FORCES   5.8840000000e-04  1.6346000000e-03 -6.1259000000e-03  2.0787000000e-03  2.0897000000e-03 -2.2759000000e-03 -5.4731000000e-03  6.6880000000e-04  6.8596000000e-03  7.6311000000e-03 -7.8543000000e-03 -9.0836000000e-03 -1.5750200000e-02  8.0924000000e-03  1.3824900000e-02  4.9333000000e-03 -2.6957000000e-03 -1.8876000000e-03  7.1705000000e-03 -1.1142200000e-02 -8.6641000000e-03  5.4335000000e-03 -5.4090000000e-03  1.0341100000e-02 -1.4498000000e-03  1.1845500000e-02 -2.9863000000e-03 -6.9685000000e-03  3.3117000000e-03  3.1365000000e-03  1.5209500000e-02 -1.2394000000e-02 -1.0247600000e-02 -2.1680000000e-03  5.8600000000e-03 -1.5776000000e-03  3.5272000000e-03 -7.0340000000e-04 -4.9244000000e-03  1.2475700000e-02 -6.5700000000e-04  1.4034100000e-02 -1.7641700000e-02 -6.4084000000e-03 -4.1484000000e-03  1.4861000000e-03 -6.9016000000e-03 -2.1464000000e-03 -1.1608700000e-02  1.2195700000e-02  1.8142000000e-03  1.3801000000e-02 -4.9286000000e-03 -2.9859000000e-03  6.0477000000e-03 -3.6400000000e-04  2.2216000000e-02 -5.6413000000e-03  6.4731000000e-03 -1.8942800000e-02  9.2760000000e-04 -4.2965000000e-03  3.7333000000e-03 -5.4585000000e-03 -1.8607000000e-03  8.8622000000e-03 -3.8027000000e-03  7.3051000000e-03 -1.3494300000e-02  3.9578000000e-03 -1.7683000000e-03  3.1959000000e-03 -8.0853000000e-03  5.9277000000e-03 -8.7720000000e-04  7.2791000000e-03 -4.5170000000e-04  6.5945000000e-03 -1.8622000000e-03 -1.8707000000e-03  1.0426000000e-03  6.3109000000e-03 -1.2931000000e-03  7.6437000000e-03  2.2553000000e-03 -7.4580000000e-03 -1.2338000000e-03 -5.4287000000e-03  1.0382400000e-02 -2.0205000000e-03  3.7226000000e-03  5.8989000000e-03  4.1667000000e-03 -1.0424200000e-02 -7.1905000000e-03 -7.4859000000e-03  3.5029000000e-03  3.4038000000e-03  1.7972000000e-03 -7.2121000000e-03  1.1461100000e-02 -1.5157000000e-03 -1.7866000000e-03  2.2482000000e-03  3.0206000000e-03  2.4230000000e-03 -1.3151200000e-02 -9.6592000000e-03

JOB 165
COORDS   1.2818000000e-01  1.9977000000e+00  1.8135100000e+00  2.5669000000e-01  2.8851100000e+00  1.4784900000e+00 -7.7018000000e-01  1.7763300000e+00  1.5681900000e+00 -3.6954200000e+00 -1.9640000000e-01  1.7947500000e+00 -2.8308300000e+00 -5.2578000000e-01  1.5493500000e+00 -4.0348200000e+00 -8.4744000000e-01  2.4088900000e+00 -1.2898100000e+00 -1.2274300000e+00  9.1498000000e-01 -1.1694100000e+00 -1.5411000000e+00  1.8690000000e-02 -6.8901000000e-01 -1.7584000000e+00  1.4378000000e+00  4.1405400000e+00 -2.4204600000e+00  1.4549600000e+00  4.4862300000e+00 -1.5634100000e+00  1.2055700000e+00  4.5843100000e+00 -3.0369600000e+00  8.7254000000e-01 -3.5833000000e-01 -1.4146500000e+00 -1.7965900000e+00 -2.5840000000e-02 -1.2513300000e+00 -2.6792100000e+00  3.7319000000e-01 -1.1941700000e+00 -1.2199600000e+00 -1.0090800000e+00  1.6192700000e+00 -1.5787200000e+00 -9.1483000000e-01  6.7119000000e-01 -1.6709700000e+00 -1.7502400000e+00  1.7299400000e+00 -9.8318000000e-01 -7.2003000000e-01  2.7454900000e+00 -4.4520600000e+00 -7.8379000000e-01  2.5486100000e+00 -3.5175000000e+00 -1.6145000000e+00  2.9652600000e+00 -4.7125900000e+00 -2.7386400000e+00  2.1828200000e+00  9.1083000000e-01 -3.2165700000e+00  1.4383900000e+00  1.2763900000e+00 -3.0848200000e+00  2.9431100000e+00  1.3781200000e+00  2.2167900000e+00 -6.3220000000e-02  3.1281800000e+00  1.5230400000e+00  3.5781000000e-01  2.6205600000e+00  2.1718500000e+00  3.5423000000e-01  3.9883800000e+00  1.9189500000e+00 -6.7195000000e-01 -1.4305000000e-01  1.8384800000e+00  2.6845000000e-01  1.6330000000e-02  2.0600000000e+00 -1.0511900000e+00  7.2443000000e-01  8.8817000000e-01 -2.4769300000e+00  2.2945800000e+00  1.5827200000e+00 -3.0302400000e+00  1.9372500000e+00  1.3506800000e+00 -1.7463600000e+00  2.7051700000e+00  5.4097000000e-01 -1.2206000000e-01 -4.3991700000e+00  1.6996000000e-01 -3.6948000000e-01 -5.2461500000e+00  1.4750000000e-01  7.2843000000e-01 -4.2040400000e+00
ENERGY -9.171747269931e+02
EMD0 -3.223129640000e+02
FORCES  -9.4444000000e-03  1.9186000000e-03 -4.6710000000e-03 -3.0463000000e-03 -4.8230000000e-04  9.9980000000e-04  9.8675000000e-03  4.1904000000e-03  4.6236000000e-03  7.1523000000e-03 -2.5083000000e-03 -6.2735000000e-03 -1.7182000000e-02  1.0245300000e-02  1.0468200000e-02  5.7022000000e-03 -3.7729000000e-03 -1.1703000000e-03  6.1093000000e-03 -3.1186000000e-03 -2.0751000000e-03  6.0741000000e-03 -1.8669000000e-03  9.8839000000e-03 -9.6373000000e-03  4.3876000000e-03 -9.4889000000e-03  1.8434000000e-03  9.0120000000e-04  2.1925000000e-03  1.8532000000e-03 -5.3827000000e-03 -3.0399000000e-03  9.2810000000e-04  4.6261000000e-03  5.2640000000e-04  7.0070000000e-03 -7.5644000000e-03 -4.4696000000e-03 -3.1300000000e-04  5.2400000000e-04  1.3550200000e-02 -1.5425500000e-02  6.9500000000e-04 -8.2068000000e-03 -6.3120000000e-04 -3.9985000000e-03  8.3346000000e-03 -3.4542000000e-03  1.1641300000e-02  9.4070000000e-04  4.6204000000e-03 -7.4314000000e-03 -7.6688000000e-03  1.0430000000e-03  5.0188000000e-03  2.8205000000e-03 -1.0173000000e-03 -3.7430000000e-04 -1.5852700000e-02  7.6690000000e-04 -6.6900000000e-04  4.2639000000e-03 -9.4687000000e-03 -9.1368000000e-03  1.7447000000e-03  9.4777000000e-03  1.4212700000e-02 -3.6424000000e-03 -1.3621000000e-03 -4.4084000000e-03  2.8237000000e-03  4.6117000000e-03  5.4119000000e-03  2.3544000000e-03  6.2554000000e-03 -1.3342500000e-02  5.8777000000e-03 -3.1959000000e-03  1.3988000000e-03 -2.9161000000e-03  5.5750000000e-04 -3.4163000000e-03  1.3101000000e-03  2.8201000000e-03 -6.0451000000e-03  2.8912000000e-03 -2.4690000000e-04  9.0510000000e-03 -1.0683000000e-03  3.8376000000e-03  1.4043000000e-03  6.3275000000e-03 -1.2212000000e-03  4.4391000000e-03  1.6354000000e-03 -6.5406000000e-03 -6.4852000000e-03 -1.2048400000e-02  3.5778000000e-03  7.8941000000e-03 -5.2839000000e-03 -1.4515000000e-03  1.8739000000e-03  2.1825000000e-03 -4.6700000000e-04 -9.8305000000e-03  2.1240000000e-03

JOB 166
COORDS   2.6036000000e-01  3.6710900000e+00  1.0852400000e+00 -4.0909000000e-01  3.4313400000e+00  4.4447000000e-01  1.0595000000e-01  4.5999100000e+00  1.2575400000e+00 -1.1600000000e+00 -3.3861000000e-01  9.8060000000e-01 -1.1175300000e+00 -1.2135600000e+00  1.3664600000e+00 -7.9318000000e-01 -4.4532000000e-01  1.0293000000e-01 -1.3788900000e+00 -2.9967800000e+00  2.4095300000e+00 -1.2880000000e+00 -3.0092500000e+00  3.3623300000e+00 -7.7687000000e-01 -3.6745000000e+00  2.1021300000e+00  2.6604000000e+00 -3.2522300000e+00  2.8311000000e-01  2.6893600000e+00 -3.2548800000e+00 -6.7365000000e-01  3.2590800000e+00 -2.5507000000e+00  5.3938000000e-01  6.5934000000e-01  7.0132000000e-01 -1.3565600000e+00  8.2143000000e-01  6.1479000000e-01 -2.2959600000e+00  1.5169800000e+00  9.0357000000e-01 -9.8268000000e-01 -1.5171000000e+00  2.4457800000e+00 -8.4090000000e-01 -8.4383000000e-01  1.7982200000e+00 -1.0497200000e+00 -2.3293100000e+00  1.9413400000e+00 -7.9521000000e-01 -1.1985700000e+00  2.9032800000e+00 -3.5112000000e+00 -1.6651900000e+00  3.6482300000e+00 -3.8900900000e+00 -1.1954400000e+00  3.0757400000e+00 -2.5696700000e+00 -3.1471900000e+00  3.8772000000e-01 -3.1829000000e-01 -3.4940200000e+00 -3.9251000000e-01 -7.5093000000e-01 -2.5370700000e+00  4.7930000000e-02  3.3634000000e-01  5.1512000000e-01  1.0921400000e+00  2.4411600000e+00  4.5009000000e-01  1.9641900000e+00  2.0519000000e+00 -7.7420000000e-02  5.5142000000e-01  1.9189000000e+00  3.3369000000e+00 -6.7800000000e-01  2.0167800000e+00  2.5567500000e+00 -2.7275000000e-01  2.3954300000e+00  3.9429900000e+00  5.0070000000e-02  1.8796500000e+00  6.9459000000e-01 -4.6459700000e+00  1.6323200000e+00  1.1546200000e+00 -3.9238500000e+00  1.2043500000e+00  8.7638000000e-01 -5.4068200000e+00  1.0807000000e+00  2.4869000000e-01  6.7834000000e-01 -4.6556300000e+00 -8.9920000000e-02  8.1377000000e-01 -5.5406400000e+00 -3.2494000000e-01  1.2022400000e+00 -4.0964300000e+00
ENERGY -9.171664354046e+02
EMD0 -3.074593660000e+02
FORCES  -3.0440000000e-03 -3.7417000000e-03 -7.3910000000e-04  1.0681100000e-02  8.9537000000e-03  8.5151000000e-03 -3.8607000000e-03 -1.0013000000e-03 -5.6197000000e-03 -8.3485000000e-03  1.0597300000e-02  5.5574000000e-03  5.5605000000e-03  1.5798400000e-02 -1.6635300000e-02 -1.2375800000e-02 -5.7475000000e-03  6.8800000000e-03  3.9566000000e-03 -1.3108500000e-02  7.3100000000e-05  2.4116000000e-03 -3.8438000000e-03 -2.0503000000e-03 -7.7707000000e-03  1.3314600000e-02  6.5015000000e-03  3.3360000000e-04 -3.6170000000e-04  9.4036000000e-03  2.5691000000e-03  3.4217000000e-03  3.1801000000e-03  7.1870000000e-04 -7.0980000000e-03 -1.4286500000e-02  5.7710000000e-04  1.4601000000e-03  9.0460000000e-04  2.3737000000e-03  3.5638000000e-03  8.4388000000e-03  2.9610000000e-04 -1.9532000000e-03 -8.3258000000e-03 -1.1138900000e-02 -1.7931200000e-02  1.5343000000e-03 -1.0959500000e-02  7.9900000000e-03 -1.9694000000e-03  1.2988200000e-02  6.6468000000e-03 -3.7997000000e-03 -1.0744000000e-03 -3.6934000000e-03  1.0482700000e-02 -1.7840000000e-04  1.7746000000e-03  6.8516000000e-03  3.8853000000e-03  5.0236000000e-03 -1.5426100000e-02  1.9885500000e-02 -1.1500000000e-03  1.8671300000e-02  6.3565000000e-03 -3.6455000000e-03  4.9570000000e-03 -4.4110000000e-03 -2.3030000000e-03 -1.7324900000e-02 -1.5235500000e-02  1.8664000000e-03 -5.1297000000e-03 -3.0603000000e-03 -1.2635300000e-02 -1.9768000000e-03  6.6310000000e-03  4.2715000000e-03  2.5520000000e-04 -5.1407000000e-03  1.3041000000e-03  6.4828000000e-03  1.1918700000e-02 -2.0729000000e-03 -2.2412000000e-03 -3.1300000000e-03 -1.0300000000e-04 -3.7990000000e-04  1.0687000000e-02  2.0584000000e-03  2.6020000000e-04 -1.5198900000e-02 -6.6412000000e-03  1.5219000000e-03  1.7028000000e-03  3.2441000000e-03 -2.9253000000e-03 -2.6411000000e-03  7.0266000000e-03 -2.5052000000e-03 -2.3229000000e-03  1.2372000000e-03  1.7488000000e-03  6.3580000000e-03 -1.2521600000e-02 -8.8490000000e-04

JOB 167
COORDS   4.3038000000e-01  8.7253000000e-01 -2.6902000000e-01  5.5221000000e-01  6.4140000000e-02 -7.6691000000e-01  1.6240000000e-01  1.5187100000e+00 -9.2237000000e-01 -7.0207000000e-01 -1.3652700000e+00  3.2005800000e+00 -5.7470000000e-01 -1.9285300000e+00  2.4372000000e+00 -5.9166000000e-01 -1.9493300000e+00  3.9508600000e+00 -4.9266000000e-01 -3.2548700000e+00  1.3373500000e+00 -7.3964000000e-01 -3.4625300000e+00  4.3618000000e-01  3.1605000000e-01 -3.7455900000e+00  1.4836900000e+00  3.6013400000e+00 -2.8352500000e+00  1.3493700000e+00  4.5094300000e+00 -2.5351600000e+00  1.3099100000e+00  3.0984100000e+00 -2.0502900000e+00  1.5664400000e+00 -1.4613200000e+00  1.5809000000e-01 -3.0571800000e+00 -8.5790000000e-01  7.0232000000e-01 -3.5630700000e+00 -2.3317600000e+00  4.6240000000e-01 -3.3139900000e+00 -1.4616200000e+00  2.5753400000e+00 -1.9310600000e+00 -1.4615500000e+00  1.7147100000e+00 -2.3500300000e+00 -1.8808000000e+00  2.4293700000e+00 -1.0829900000e+00  2.9481000000e-01  4.2342300000e+00 -3.2653100000e+00  3.9780000000e-02  5.1537700000e+00 -3.3403500000e+00 -3.1344000000e-01  3.8681100000e+00 -2.6232700000e+00 -2.9684100000e+00  2.3747400000e+00  4.9310000000e-01 -2.2579500000e+00  1.9983000000e+00  1.0124900000e+00 -3.7659900000e+00  2.1190000000e+00  9.5646000000e-01 -1.1759900000e+00  1.2232300000e+00  2.1122100000e+00 -6.6524000000e-01  9.6374000000e-01  1.3453800000e+00 -1.2943900000e+00  4.1257000000e-01  2.6072300000e+00  1.8963800000e+00 -8.9720000000e-01  2.0988500000e+00  1.8532800000e+00 -2.7400000000e-03  1.7607500000e+00  1.2420600000e+00 -9.2163000000e-01  2.7970700000e+00  1.6377300000e+00 -4.5649000000e+00  2.4615400000e+00  2.5093300000e+00 -4.3700500000e+00  2.1171800000e+00  1.6970500000e+00 -4.3599900000e+00  3.3946700000e+00  4.1658000000e-01  1.4726300000e+00 -4.5167000000e+00  7.0710000000e-02  1.7252600000e+00 -5.3727300000e+00  4.5737000000e-01  2.2917300000e+00 -4.0231000000e+00
ENERGY -9.171705464967e+02
EMD0 -3.278099350000e+02
FORCES  -2.0359000000e-03  4.0982000000e-03 -3.4372000000e-03  8.4420000000e-04  5.6790000000e-03 -1.8823000000e-03  2.4976000000e-03 -1.0115800000e-02  1.6152000000e-03 -1.0188800000e-02 -9.6720000000e-03 -1.4223900000e-02  6.9749000000e-03  1.1605600000e-02  1.9077200000e-02  6.3212000000e-03 -2.4840000000e-03 -4.7307000000e-03  5.3881000000e-03 -5.4030000000e-04  1.0631800000e-02  6.8878000000e-03 -5.2532000000e-03  7.4450000000e-04 -1.3729300000e-02  7.7805000000e-03 -1.2728600000e-02 -1.1886800000e-02  8.7394000000e-03  1.1103000000e-03 -3.6156000000e-03  5.7048000000e-03  1.3361000000e-03  1.6583000000e-02 -7.4814000000e-03 -4.2992000000e-03  1.2524600000e-02  9.0140000000e-04 -8.8442000000e-03 -2.1245200000e-02  7.5009000000e-03  2.1347500000e-02  8.3494000000e-03  9.2020000000e-03  2.1195000000e-03 -1.4155600000e-02 -9.3161000000e-03 -2.0142000000e-03  2.2559000000e-03  5.5332000000e-03 -2.3858000000e-03  1.5942900000e-02 -8.7870000000e-03 -9.5650000000e-03 -2.9204000000e-03 -1.8263000000e-03  3.9895000000e-03 -3.7618000000e-03 -1.7969000000e-03  5.2740000000e-03  9.6792000000e-03  1.0022500000e-02 -9.7011000000e-03  5.8909000000e-03 -3.9987000000e-03  1.3009100000e-02 -5.5975000000e-03  3.3623000000e-03 -1.7889500000e-02  2.2720000000e-03 -1.6260000000e-03  3.6939000000e-03  8.1090000000e-04 -2.8892000000e-03  1.6018000000e-03 -1.3987000000e-02  1.7916000000e-03  8.7867000000e-03  1.9861000000e-03  6.6771000000e-03 -9.1170000000e-03 -5.8346000000e-03 -8.1858000000e-03  1.0075000000e-03 -7.8230000000e-04 -3.1393000000e-03  6.4048000000e-03  8.6643000000e-03  3.9934000000e-03 -4.6821000000e-03  3.3948000000e-03  2.3072000000e-03 -4.0941000000e-03 -9.1545000000e-03 -7.2808000000e-03  9.9660000000e-03  3.4757000000e-03  1.2221000000e-03 -1.9957000000e-03  8.9787000000e-03  1.7912000000e-03 -2.3869000000e-03 -1.9393000000e-03  1.6092000000e-03  4.2091000000e-03 -8.8874000000e-03 -1.5128700000e-02 -1.9468000000e-03

JOB 168
COORDS   2.3862000000e-01  2.3537000000e-01 -7.3652000000e-01 -5.2894000000e-01 -1.2733000000e-01 -1.1787000000e+00  1.3070000000e-01  1.1838000000e+00 -8.0764000000e-01 -2.7042000000e+00 -2.1150700000e+00  2.1429600000e+00 -1.7740600000e+00 -2.2276500000e+00  1.9470600000e+00 -3.0663400000e+00 -3.0003000000e+00  2.1048700000e+00 -1.5302000000e-01 -2.0184700000e+00  1.7358600000e+00  1.9420000000e-02 -1.3860800000e+00  1.0383100000e+00  6.2957000000e-01 -1.9881000000e+00  2.2861800000e+00  4.5749600000e+00 -1.6060200000e+00  1.6427900000e+00  5.4780100000e+00 -1.3349100000e+00  1.4777700000e+00  4.1946700000e+00 -1.7169800000e+00  7.7141000000e-01 -2.4969300000e+00 -1.2949000000e-01 -2.1201700000e+00 -2.3140500000e+00  4.0293000000e-01 -2.8943300000e+00 -2.9465000000e+00 -9.0261000000e-01 -2.4613500000e+00 -4.1830000000e-02  2.7421100000e+00 -6.6133000000e-01 -7.2689000000e-01  3.2293800000e+00 -1.1190400000e+00 -3.5696000000e-01  2.6742400000e+00  2.3995000000e-01  1.9654300000e+00  3.2173700000e+00 -2.9567400000e+00  2.8166600000e+00  3.6086100000e+00 -3.1531200000e+00  1.8657200000e+00  3.3220900000e+00 -2.0105300000e+00 -1.7609800000e+00  1.9414600000e+00  1.6332800000e+00 -2.3216700000e+00  1.3650500000e+00  1.1140400000e+00 -1.9578400000e+00  1.7131100000e+00  2.5417600000e+00 -3.4315000000e+00  1.0928000000e-01  5.2345000000e-01 -2.9259300000e+00 -7.7080000000e-02 -2.6769000000e-01 -3.2692400000e+00 -6.4166000000e-01  1.0944000000e+00  2.2362900000e+00 -1.7093100000e+00 -6.6364000000e-01  2.3507800000e+00 -1.7994500000e+00 -1.6096900000e+00  1.5131700000e+00 -1.0895800000e+00 -5.6740000000e-01  2.1377900000e+00 -2.3788900000e+00  3.1734900000e+00  2.9625400000e+00 -2.2360700000e+00  2.7091300000e+00  2.2460000000e+00 -3.2295900000e+00  3.5987400000e+00 -6.7796000000e-01  1.7619300000e+00 -3.5795100000e+00 -6.3160000000e-02  1.0999600000e+00 -3.8958100000e+00 -1.4305000000e-01  2.3521200000e+00 -3.0486800000e+00
ENERGY -9.171674284045e+02
EMD0 -3.053566310000e+02
FORCES  -9.8090000000e-04  3.4089600000e-02  6.0530000000e-04  7.2229000000e-03  3.1955000000e-03  3.6675000000e-03 -4.8619000000e-03 -1.1890700000e-02  2.8490000000e-04  2.1596600000e-02  3.8011000000e-03  3.0866000000e-03 -2.2381500000e-02 -5.6803000000e-03 -4.1484000000e-03  7.1217000000e-03 -1.1343000000e-03 -1.3506000000e-03  3.6754000000e-03 -5.1761000000e-03  1.3152600000e-02  2.5664000000e-03 -4.4352000000e-03  4.6772000000e-03 -1.0693800000e-02  8.5515000000e-03 -1.2534900000e-02 -1.3165000000e-03  2.7751000000e-03  3.5709000000e-03 -2.5245000000e-03 -8.1160000000e-04 -7.4587000000e-03  1.2508300000e-02 -1.9070000000e-04  6.1829000000e-03 -2.7482000000e-03  9.8079000000e-03  3.3693000000e-03 -7.5794000000e-03 -1.4470300000e-02 -1.9300000000e-05  3.1093000000e-03  4.1552000000e-03 -3.7814000000e-03 -9.0900000000e-04 -1.7329900000e-02  6.8251000000e-03  2.4581000000e-03 -1.5776000000e-03  1.7439000000e-03  5.3979000000e-03  1.4436000000e-03 -1.8742100000e-02 -3.8750000000e-04 -6.4890000000e-04 -2.9508000000e-03 -8.1790000000e-04 -1.0940000000e-04  6.4690000000e-03  5.2750000000e-03  3.0938000000e-03 -7.6362000000e-03 -1.4171700000e-02 -1.3956400000e-02 -2.8721000000e-03  1.4275400000e-02  1.0411300000e-02  6.6005000000e-03 -3.5709000000e-03 -2.1005000000e-03 -1.5952000000e-03 -4.9374000000e-03 -6.0281000000e-03  2.4891000000e-03  3.6898000000e-03 -3.7568000000e-03  1.2393700000e-02  2.1593000000e-03  1.2446200000e-02 -1.4510000000e-02 -1.1944300000e-02  8.9475000000e-03  1.1919000000e-03 -1.8775000000e-03  1.6440000000e-03  9.6930000000e-04  5.9094000000e-03 -1.4158500000e-02 -2.5430000000e-03 -6.3460000000e-04  4.0269000000e-03 -3.9784000000e-03 -9.2888000000e-03 -9.2492000000e-03  5.2184000000e-03  5.4019000000e-03  1.2088000000e-03 -2.2734000000e-03  7.3661000000e-03  6.9013000000e-03 -8.2460000000e-04 -3.0169000000e-03 -8.1460000000e-04  2.0249000000e-03 -5.0906000000e-03 -2.9799000000e-03  2.6960000000e-03

JOB 169
COORDS   1.3099500000e+00 -1.3280600000e+00 -1.3639800000e+00  5.1970000000e-01 -1.1015500000e+00 -1.8543200000e+00  1.2044400000e+00 -8.8632000000e-01 -5.2138000000e-01 -2.1499900000e+00 -2.7465000000e-01  2.4493800000e+00 -1.8128400000e+00 -1.0160100000e+00  1.9464500000e+00 -1.5729500000e+00 -2.1909000000e-01  3.2110700000e+00 -1.3106600000e+00 -3.1160300000e+00  2.4242100000e+00 -1.1580700000e+00 -3.6031300000e+00  1.6144600000e+00 -4.3624000000e-01 -2.8642300000e+00  2.7212100000e+00  3.7130800000e+00 -3.0076900000e+00  2.6086100000e+00  4.4257900000e+00 -3.4128300000e+00  3.1027300000e+00  4.0690900000e+00 -2.8882500000e+00  1.7281400000e+00 -1.6629400000e+00  3.9451000000e-01 -2.0384400000e+00 -1.7088800000e+00  1.0813500000e+00 -2.7035500000e+00 -2.4888800000e+00 -8.1100000000e-02 -2.1271600000e+00 -5.2629000000e-01  4.0952100000e+00 -1.2007200000e+00  9.9100000000e-03  3.6156600000e+00 -1.8321800000e+00 -4.0935000000e-01  3.6210000000e+00 -3.7750000000e-01 -3.0264900000e+00  4.0154500000e+00 -2.9133500000e+00 -3.5769500000e+00  3.6533300000e+00 -2.2190200000e+00 -2.2725800000e+00  4.3850600000e+00 -2.4537300000e+00  1.1138400000e+00  1.2937000000e-01  1.1371500000e+00  3.6784000000e-01  6.9958000000e-01  1.3231300000e+00  1.1068200000e+00 -5.1386000000e-01  1.8459800000e+00 -1.2429900000e+00  1.7111400000e+00  5.0598000000e-01 -1.4938700000e+00  1.5379700000e+00 -4.0139000000e-01 -1.8974900000e+00  1.2477000000e+00  1.0285500000e+00  3.8213600000e+00 -2.8708500000e+00 -7.4557000000e-01  3.3383100000e+00 -3.6925400000e+00 -6.5764000000e-01  3.1544400000e+00 -2.2238100000e+00 -9.7533000000e-01  1.0361700000e+00 -2.1982500000e+00  3.1540200000e+00  1.9342600000e+00 -2.3646600000e+00  2.8676700000e+00  1.1214400000e+00 -1.9337500000e+00  4.0699800000e+00 -1.0444400000e+00  2.5371100000e+00 -4.0494300000e+00 -1.1225500000e+00  2.4660800000e+00 -5.0007900000e+00 -1.7735900000e+00  3.1004600000e+00 -3.7901700000e+00
ENERGY -9.171644704472e+02
EMD0 -3.015377480000e+02
FORCES  -1.3286000000e-03  8.2598000000e-03  1.4212000000e-03  1.0063000000e-03 -8.4360000000e-04  5.3107000000e-03 -8.1560000000e-04 -1.1619300000e-02 -1.2029900000e-02 -3.6889000000e-03 -1.1813700000e-02  4.5398000000e-03  3.3813000000e-03  1.3191200000e-02 -7.3290000000e-04  2.8082000000e-03 -5.6750000000e-04 -3.3946000000e-03  1.1389900000e-02 -9.2360000000e-04  1.0838400000e-02  4.0555000000e-03  3.5154000000e-03  1.5724000000e-03 -1.0251100000e-02 -4.3440000000e-04 -6.0827000000e-03 -1.4194000000e-03 -2.9620000000e-04  1.4790000000e-04  2.9565000000e-03  8.7350000000e-04 -6.3741000000e-03  2.2221000000e-03 -4.5143000000e-03  1.2603800000e-02  6.3506000000e-03  8.3470000000e-04 -5.7104000000e-03 -1.1810600000e-02 -8.2124000000e-03  1.3031600000e-02  1.1960000000e-03  5.1147000000e-03 -3.0951000000e-03  1.8136000000e-03  3.7300000000e-04  7.5136000000e-03 -3.1984000000e-03  1.9360000000e-04  5.8941000000e-03  6.0327000000e-03  1.5667000000e-03 -9.0580000000e-03  8.6320000000e-04  2.0515000000e-03  1.9864000000e-03  3.0859000000e-03  1.5953000000e-03  7.7030000000e-04 -7.6860000000e-03 -8.0705000000e-03 -1.1085900000e-02 -3.4758000000e-03  7.5923000000e-03 -2.1447000000e-03  8.6956000000e-03 -1.0120900000e-02  1.2056100000e-02 -2.8918000000e-03  6.9315000000e-03 -5.2315000000e-03 -1.5380000000e-03 -8.4380000000e-03 -2.5358000000e-03 -4.7352000000e-03  7.8048000000e-03  1.0135300000e-02  2.1972000000e-03  4.3627000000e-03 -1.3031100000e-02 -2.9233000000e-03  5.0695000000e-03 -1.2819000000e-02 -6.5100000000e-05  3.2088000000e-03  3.3506000000e-03  6.7049000000e-03 -8.8806000000e-03  7.4694000000e-03 -1.0113000000e-03 -1.4647700000e-02 -5.8408000000e-03 -1.4921200000e-02  1.1485500000e-02  5.0516000000e-03  2.8596000000e-03 -1.2400000000e-05 -3.1991000000e-03 -2.8024000000e-03  8.5829000000e-03  1.2086000000e-03 -5.5882000000e-03  3.6856000000e-03  2.3080000000e-03  1.2531800000e-02 -6.8978000000e-03 -4.8442000000e-03

JOB 170
COORDS   3.3564100000e+00 -3.7930000000e-02 -4.9699000000e-01  3.5109800000e+00  2.5178000000e-01 -1.3961100000e+00  3.1010200000e+00  7.5717000000e-01 -2.9210000000e-02 -1.6342100000e+00 -1.6743200000e+00  4.3223000000e-01 -1.3907900000e+00 -1.9760800000e+00  1.3074000000e+00 -2.5878700000e+00 -1.5975200000e+00  4.6149000000e-01 -4.5361400000e+00 -7.8658000000e-01  7.4124000000e-01 -4.7119300000e+00 -4.4640000000e-02  1.6257000000e-01 -5.3146100000e+00 -8.4899000000e-01  1.2946900000e+00  1.0590500000e+00 -2.2555900000e+00  2.0818600000e+00  1.2790500000e+00 -3.0827100000e+00  2.5104600000e+00  1.6662600000e+00 -2.1986500000e+00  1.3441000000e+00  6.0399000000e-01  1.6638000000e-01 -2.2243400000e+00 -1.4244000000e-01  6.0807000000e-01 -2.6292900000e+00  3.9866000000e-01 -7.6584000000e-01 -2.2954000000e+00 -1.8474900000e+00  2.5913500000e+00  9.3976000000e-01 -1.2776600000e+00  3.2617800000e+00  1.3166700000e+00 -1.2560100000e+00  1.8741200000e+00  7.1184000000e-01 -3.4345500000e+00  1.6369100000e+00 -1.5204000000e+00 -4.0768000000e+00  2.2728300000e+00 -1.8355900000e+00 -3.1124300000e+00  2.0081100000e+00 -6.9902000000e-01  2.5336400000e+00  2.0296600000e+00  1.3028000000e+00  1.6900100000e+00  1.6421400000e+00  1.5359400000e+00  3.1613500000e+00  1.6097500000e+00  1.8909200000e+00 -9.0920000000e-02  4.2237000000e-01  2.9697000000e-01  2.5380000000e-02  4.1131000000e-01 -6.5308000000e-01 -6.9131000000e-01 -3.0189000000e-01  4.7369000000e-01  2.1613400000e+00 -2.2465100000e+00 -2.9137000000e-01  2.4065800000e+00 -1.3383300000e+00 -4.6832000000e-01  2.9880700000e+00 -2.6824100000e+00 -8.4620000000e-02  3.6856400000e+00 -7.9940000000e-01  2.4171300000e+00  2.8098400000e+00 -1.0890700000e+00  2.6726700000e+00  3.5931000000e+00 -5.3369000000e-01  1.5022200000e+00 -1.7319900000e+00  8.9059000000e-01 -3.6795900000e+00 -2.0434500000e+00  1.5942200000e+00 -4.2489100000e+00 -1.9917500000e+00  1.1615900000e+00 -2.7990700000e+00
ENERGY -9.171529475435e+02
EMD0 -2.817335340000e+02
FORCES  -1.1206200000e-02 -6.7067000000e-03  6.4417000000e-03 -9.1060000000e-04  2.8046000000e-03  4.1536000000e-03  1.1475500000e-02 -1.5393300000e-02 -6.9813000000e-03  4.3887000000e-03  4.4188000000e-03 -5.7937000000e-03 -9.9566000000e-03  6.7305000000e-03 -2.2498000000e-03  1.1260800000e-02 -4.7358000000e-03  3.6470000000e-03  2.2888000000e-03 -8.7820000000e-04  1.0090000000e-04 -6.7143000000e-03 -2.8358000000e-03  6.6794000000e-03 -9.2340000000e-04  5.1108000000e-03 -4.2543000000e-03  2.9208000000e-03 -4.5450000000e-04 -2.6258400000e-02  4.2527000000e-03  2.5722000000e-03 -4.1349000000e-03  7.3976000000e-03 -9.7710000000e-04  2.4962500000e-02 -3.1240000000e-04  1.7345000000e-03 -3.2939000000e-03  2.5900000000e-05 -3.4290000000e-03  1.8810200000e-02 -3.5233000000e-03  6.1303000000e-03  1.7203000000e-03  8.3969000000e-03 -7.9540000000e-03  2.5534000000e-03  3.5299000000e-03 -4.2395000000e-03 -2.3660000000e-04 -1.2683900000e-02  1.8407100000e-02  2.4667000000e-03  2.7942000000e-03 -2.1950000000e-04  8.6200000000e-04  2.3089000000e-03  4.0540000000e-04  4.5684000000e-03 -9.7038000000e-03 -3.9148000000e-03 -1.2452700000e-02 -5.4306000000e-03  7.2754000000e-03  4.1804000000e-03  1.0687300000e-02  2.3867000000e-03  4.9593000000e-03 -5.3623000000e-03 -2.9573000000e-03 -9.1649000000e-03  5.2600000000e-05 -2.7980600000e-02 -1.8337900000e-02 -1.5586100000e-02 -2.4830000000e-04  7.7012000000e-03  6.2465000000e-03  1.2795700000e-02 -2.3565000000e-03  2.5814000000e-03  2.2511500000e-02 -7.1736000000e-03 -1.7499000000e-03 -1.4348800000e-02  4.3480000000e-03 -4.3166000000e-03  4.0500000000e-03  7.2894000000e-03 -1.0404000000e-03 -6.0591000000e-03 -2.8040000000e-04  7.9215000000e-03  3.5334000000e-03 -5.4731000000e-03 -6.5911000000e-03  3.4710000000e-03  6.7208000000e-03 -8.7132000000e-03 -2.3153000000e-03  8.7100000000e-04 -1.9476000000e-03  9.4510000000e-04  4.2199000000e-03  1.8141900000e-02  3.6470000000e-04 -8.8139000000e-03

JOB 171
COORDS   3.8078700000e+00  7.1789000000e-01 -2.3714000000e-01  4.4363100000e+00  1.4287400000e+00 -3.6357000000e-01  3.7890100000e+00  5.7984000000e-01  7.0987000000e-01 -5.3290000000e-01 -7.5593000000e-01  7.6956000000e-01 -2.4222000000e-01 -1.6663700000e+00  7.1643000000e-01 -1.4882200000e+00 -8.0677000000e-01  7.3784000000e-01 -3.3613700000e+00 -6.8152000000e-01  9.5140000000e-01 -4.2565700000e+00 -6.9631000000e-01  1.2899700000e+00 -3.4118500000e+00 -1.4097000000e-01  1.6305000000e-01  5.9613000000e-01 -3.2866000000e+00  4.7868000000e-01  1.4972000000e-01 -3.1847800000e+00 -3.6190000000e-01  1.3640500000e+00 -3.8221200000e+00  2.7927000000e-01 -3.6076000000e-01 -3.0961800000e+00 -2.3813100000e+00 -5.0360000000e-01 -2.1506900000e+00 -2.4247600000e+00 -1.0508800000e+00 -3.4686100000e+00 -2.9302000000e+00 -1.3731700000e+00  2.9576400000e+00 -7.3140000000e-01 -8.2251000000e-01  2.6872100000e+00 -1.4661600000e+00 -7.9540000000e-01  2.9135300000e+00  3.0480000000e-02 -3.6004800000e+00  1.5541200000e+00 -1.3926200000e+00 -4.2910400000e+00  2.0295900000e+00 -1.8544500000e+00 -2.9159900000e+00  2.2070700000e+00 -1.2464900000e+00  3.3388300000e+00  8.6472000000e-01  2.4347600000e+00  2.6823100000e+00  1.5586300000e+00  2.4956200000e+00  2.8374000000e+00  5.2750000000e-02  2.5088800000e+00  3.7723000000e-01  1.9268700000e+00  1.4949500000e+00  7.5533000000e-01  1.9725400000e+00  6.1678000000e-01  7.5660000000e-02  1.0223700000e+00  1.5796400000e+00  1.2595200000e+00  1.5595300000e+00 -1.1730500000e+00  8.8049000000e-01  7.2361000000e-01 -9.0137000000e-01  2.1567900000e+00  1.5355500000e+00 -8.4054000000e-01  1.6227600000e+00 -1.4541300000e+00  2.6670900000e+00  8.0890000000e-01 -1.1613700000e+00  2.2570200000e+00  1.5817600000e+00 -2.4095900000e+00  2.6265100000e+00 -1.6499300000e+00 -2.8412000000e-01 -2.7332000000e+00 -1.5575500000e+00  1.7440000000e-02 -3.6369500000e+00 -2.1322200000e+00  4.1671000000e-01 -2.2944800000e+00
ENERGY -9.171732915664e+02
EMD0 -3.327538980000e+02
FORCES   1.5136000000e-03 -7.2928000000e-03  1.7435700000e-02 -4.0300000000e-03  5.4990000000e-04  2.8099000000e-03  3.4148000000e-03 -8.4550000000e-04 -1.7753200000e-02 -5.5048000000e-03 -5.1912000000e-03  1.0016000000e-03 -9.8458000000e-03  5.3729000000e-03  1.0280000000e-04  1.1231800000e-02 -4.1683000000e-03 -8.2914000000e-03  2.0950000000e-04 -6.6820000000e-04  5.7363000000e-03 -1.6490000000e-03  3.2081000000e-03 -6.1808000000e-03  2.1705000000e-03 -8.0510000000e-03  8.1087000000e-03  2.9540000000e-04  8.3000000000e-04 -2.6833000000e-03  5.8047000000e-03  7.1685000000e-03  1.5147700000e-02 -3.1581000000e-03 -1.2313000000e-03 -2.4117000000e-03 -1.1977000000e-03  5.5320000000e-04 -4.6647000000e-03  2.1950000000e-03 -1.1657200000e-02 -1.5150000000e-04  5.5600000000e-04  4.5443000000e-03 -1.6712000000e-03  4.7727000000e-03 -2.5020000000e-04  1.3404800000e-02 -8.9073000000e-03 -1.6368000000e-03  1.9917000000e-03  3.6536000000e-03  1.8510000000e-03 -1.2207300000e-02  4.6361000000e-03  7.3785000000e-03  8.9352000000e-03  5.7402000000e-03  5.1667000000e-03  9.4120000000e-04 -1.3832700000e-02 -9.6917000000e-03 -1.7819200000e-02 -3.4765000000e-03 -2.8845000000e-03  4.7550000000e-03  3.1577000000e-03 -5.4190000000e-03  1.3020000000e-04  4.4594000000e-03  1.4806500000e-02 -8.0366000000e-03 -1.4495000000e-03 -7.6062000000e-03 -8.0777000000e-03 -7.9145000000e-03 -6.7430000000e-04  7.2336000000e-03  6.8102000000e-03  7.0385000000e-03 -7.5600000000e-05  1.5184600000e-02 -6.8343000000e-03 -5.4835000000e-03  3.1211000000e-03  9.7089000000e-03  6.2160000000e-03 -1.7867200000e-02  6.3908000000e-03  2.1638000000e-03 -3.0109000000e-03 -2.9099000000e-03 -3.2595000000e-03  5.5676000000e-03 -4.2644000000e-03  2.0909000000e-03 -3.3927000000e-03  1.2884000000e-03  4.7180000000e-04 -7.5391000000e-03  3.8451000000e-03  6.4419000000e-03 -2.3330000000e-03  2.0215000000e-03  3.2533000000e-03  1.0614300000e-02 -4.4580000000e-04 -9.6050000000e-03

JOB 172
COORDS   3.7939600000e+00  1.1457600000e+00  4.3121000000e-01  3.5337300000e+00  1.9339500000e+00  9.0794000000e-01  4.0992300000e+00  5.4430000000e-01  1.1103900000e+00  1.6313000000e-01 -1.9848500000e+00  9.4776000000e-01 -7.6000000000e-02 -2.8284300000e+00  5.6380000000e-01 -6.7012000000e-01 -1.5999700000e+00  1.2193900000e+00 -1.7187400000e+00 -2.1520000000e-01  2.1867000000e+00 -1.4319700000e+00  5.0777000000e-01  2.7446500000e+00 -1.9265800000e+00  1.9673000000e-01  1.3480400000e+00 -7.3190000000e-01 -4.0213400000e+00 -8.5671000000e-01  2.5480000000e-02 -3.6899100000e+00 -1.3391600000e+00 -1.4877800000e+00 -3.7259300000e+00 -1.3642600000e+00 -2.2440100000e+00 -2.6863000000e+00 -2.8096300000e+00 -2.3688600000e+00 -1.7597700000e+00 -3.0150100000e+00 -2.8605600000e+00 -3.1439900000e+00 -3.3811300000e+00 -1.8161000000e+00  1.4207200000e+00  1.4962000000e-01 -1.4122300000e+00  1.2795700000e+00 -7.0664000000e-01 -1.0855800000e+00  1.3907600000e+00  7.6741000000e-01 -2.5179000000e+00  1.8978300000e+00 -3.7267800000e+00 -2.7334600000e+00  2.2945600000e+00 -4.5708000000e+00 -2.7349600000e+00  2.5716100000e+00 -3.0824700000e+00  2.6931700000e+00  3.3676400000e+00  1.6800200000e+00  1.9752200000e+00  3.0116800000e+00  2.2035300000e+00  2.6048000000e+00  4.3169100000e+00  1.7654800000e+00  6.5184000000e-01  1.5365400000e+00  2.0356000000e+00  9.5313000000e-01  1.3758700000e+00  1.1413800000e+00  7.4265000000e-01  6.9102000000e-01  2.4750000000e+00  1.1828400000e+00  3.7371000000e-01 -5.3712000000e-01  1.2351900000e+00 -5.7433000000e-01 -4.1583000000e-01  2.0665600000e+00  6.8904000000e-01 -3.4777000000e-01  1.4505800000e+00 -1.1193000000e+00  3.1968100000e+00  9.8583000000e-01 -1.5733300000e+00  2.4938900000e+00  1.3507200000e+00 -1.6903400000e+00  3.9585000000e+00 -8.6486000000e-01  1.7683000000e-01 -2.6466400000e+00 -2.5218000000e-01  6.0096000000e-01 -2.0458200000e+00 -1.1860300000e+00  8.8675000000e-01 -3.2026000000e+00
ENERGY -9.171629947183e+02
EMD0 -3.064349350000e+02
FORCES   5.0301000000e-03  9.5852000000e-03  1.5741000000e-03  7.7760000000e-04 -1.7322300000e-02 -1.6486000000e-03 -1.7459000000e-03  5.2413000000e-03  1.3043000000e-03 -6.9796000000e-03 -2.1322000000e-03 -1.6821000000e-03  2.6165000000e-03  1.1934500000e-02  6.3523000000e-03  6.9569000000e-03 -1.0695900000e-02 -6.3918000000e-03 -2.1091000000e-03  1.1854700000e-02 -9.2426000000e-03 -1.1218000000e-03  2.1466000000e-03 -5.2178000000e-03  1.6606700000e-02  3.5837000000e-03  6.5077000000e-03 -9.6326000000e-03  1.8894000000e-03 -9.6843000000e-03 -8.4930000000e-04  1.9911000000e-03  5.8580000000e-03  6.5328000000e-03 -7.4012000000e-03  4.8701000000e-03  8.0026000000e-03  4.6290000000e-03  4.7418000000e-03 -1.0448400000e-02 -9.4846000000e-03 -7.1309000000e-03  9.6000000000e-06  5.9020000000e-03  8.5400000000e-05  1.5889000000e-03 -4.9573000000e-03  4.6430000000e-03  3.7885000000e-03  5.9809000000e-03  4.9249000000e-03 -1.3806400000e-02 -1.5505100000e-02 -6.0620000000e-04  4.5966000000e-03 -1.1094700000e-02  5.1505000000e-03 -1.1859000000e-03  3.0142000000e-03  5.4576000000e-03  1.5383000000e-03  1.1117000000e-03 -7.0642000000e-03 -4.3470000000e-04 -7.5512000000e-03 -2.7083000000e-03  8.9693000000e-03  1.3353600000e-02 -2.9766000000e-03 -7.1593000000e-03 -2.5888000000e-03  5.0011000000e-03  6.1972000000e-03 -1.1176300000e-02 -2.8222000000e-03 -1.1734000000e-03  5.1422000000e-03  9.4378000000e-03 -6.4565000000e-03  9.8925000000e-03 -9.8862000000e-03  8.4347000000e-03 -6.3358000000e-03  1.0496000000e-03  9.7388000000e-03  7.6870000000e-03 -5.2336000000e-03 -1.9096700000e-02 -5.1985000000e-03  3.9395000000e-03 -2.1975000000e-03 -6.2489000000e-03 -8.4187000000e-03  3.4194000000e-03  7.2216000000e-03  1.7442000000e-02 -1.8617000000e-03 -4.0517000000e-03 -4.8945000000e-03 -3.8310000000e-04  3.4400000000e-05 -6.6948000000e-03 -1.6912300000e-02  9.6393000000e-03 -4.3206000000e-03  8.7491000000e-03 -9.0400000000e-05  8.2842000000e-03

JOB 173
COORDS   3.4908800000e+00  2.9962700000e+00  2.1300000000e-01  3.4848800000e+00  2.8720400000e+00  1.1620800000e+00  3.9463400000e+00  3.8280200000e+00  8.2720000000e-02  9.2126000000e-01 -1.8672800000e+00 -2.4171000000e-01  1.1805100000e+00 -2.6832000000e+00 -6.6983000000e-01 -2.5000000000e-04 -1.9963200000e+00 -1.7240000000e-02 -9.1589000000e-01  1.7878900000e+00  9.2478000000e-01 -3.0983000000e-01  1.3555100000e+00  1.5264100000e+00 -4.7881000000e-01  1.7481800000e+00  7.4120000000e-02  1.1713000000e-01 -4.8038000000e+00 -1.5173900000e+00 -1.5328000000e-01 -4.4725600000e+00 -2.3737700000e+00 -6.9148000000e-01 -4.8356300000e+00 -1.0061400000e+00 -1.7817800000e+00 -2.4602400000e+00 -1.1436600000e+00 -2.6661400000e+00 -2.1621200000e+00 -9.3090000000e-01 -1.3825000000e+00 -1.7200900000e+00 -1.6008000000e+00 -3.5865900000e+00  1.9660800000e+00 -4.2320000000e-02 -2.8028300000e+00  1.9821000000e+00  5.0693000000e-01 -3.8067300000e+00  2.8883700000e+00 -1.7332000000e-01 -1.2249800000e+00  2.0850000000e-02 -2.8777300000e+00 -1.2099500000e+00  7.4344000000e-01 -2.2501300000e+00 -1.0432300000e+00  4.3281000000e-01 -3.7224100000e+00  3.2295100000e+00  2.5775700000e+00  2.8631200000e+00  2.4229000000e+00  2.0623000000e+00  2.8740000000e+00  3.4088800000e+00  2.7620800000e+00  3.7850800000e+00  1.2030500000e+00  6.8118000000e-01  2.3863700000e+00  1.4059000000e+00  7.3419000000e-01  1.4524200000e+00  1.0826100000e+00 -2.5366000000e-01  2.5531200000e+00  1.2283700000e+00  9.2254000000e-01 -5.5359000000e-01  1.2037100000e+00 -1.2800000000e-03 -8.0297000000e-01  2.0545200000e+00  1.2460900000e+00 -9.1278000000e-01  1.3997000000e+00 -2.0135500000e+00  2.7060100000e+00  1.3104900000e+00 -2.0135900000e+00  1.7529800000e+00  1.1363000000e+00 -2.8945900000e+00  2.9717400000e+00 -4.1231800000e+00  1.7924000000e-01 -2.6942700000e+00 -3.1932900000e+00 -3.8920000000e-02 -2.7569400000e+00 -4.2100900000e+00  6.1877000000e-01 -1.8484000000e+00
ENERGY -9.171615255637e+02
EMD0 -3.027844680000e+02
FORCES  -8.7810000000e-04 -1.5450000000e-03  1.4066700000e-02  1.7050000000e-04  3.5865000000e-03 -1.2720100000e-02  3.9530000000e-04 -5.0660000000e-04  4.4172000000e-03 -3.8758000000e-03 -3.7009000000e-03 -8.4928000000e-03 -1.8820000000e-03  6.9426000000e-03  4.6393000000e-03  1.1374700000e-02  2.1275000000e-03  3.2363000000e-03  1.7507600000e-02 -3.6521000000e-03  8.7266000000e-03 -9.8460000000e-04 -8.7900000000e-05 -1.3159200000e-02 -6.9223000000e-03 -2.1227000000e-03  1.1367000000e-03 -4.4245000000e-03 -2.7930000000e-03 -1.6727000000e-03  4.1580000000e-04 -9.9870000000e-04  2.6704000000e-03  2.3973000000e-03 -1.8733000000e-03 -2.2263000000e-03 -2.7663000000e-03 -1.6213000000e-03 -8.1269000000e-03  5.3513000000e-03  2.5440000000e-03 -8.3300000000e-04 -2.7251000000e-03 -3.7147000000e-03  1.3180800000e-02  5.9547000000e-03 -2.4389000000e-03  8.2267000000e-03 -1.3972400000e-02  7.5492000000e-03 -7.8131000000e-03  4.7309000000e-03 -7.2610000000e-04  2.2091000000e-03  1.7582000000e-03 -1.0853000000e-03 -5.5651000000e-03 -3.1394000000e-03 -3.2218000000e-03 -5.9240000000e-03 -4.2120000000e-04  4.1385000000e-03  5.3259000000e-03 -1.5213000000e-03 -4.3544000000e-03 -8.6303000000e-03  9.8109000000e-03  1.2336700000e-02  2.7415000000e-03 -6.1597000000e-03 -3.6396000000e-03  1.2041000000e-03  6.2403000000e-03 -1.0554500000e-02  4.9466000000e-03 -9.5268000000e-03 -3.2705000000e-03  1.3806100000e-02 -2.7310000000e-03  7.7967000000e-03 -1.7514900000e-02 -1.8641000000e-03  8.3560000000e-04  2.8280000000e-03  4.4175000000e-03  1.3590900000e-02 -1.7912000000e-03 -5.0583000000e-03 -1.3643100000e-02 -4.3391000000e-03  4.1393000000e-03  3.7974000000e-03  9.8400000000e-04 -6.5536000000e-03  1.5389000000e-03  1.4691800000e-02  3.8720000000e-04 -3.2600000000e-04 -7.6986000000e-03  2.3785000000e-03  2.2863000000e-03 -1.9383000000e-03 -5.3197000000e-03  3.2010000000e-03  6.1008000000e-03  3.2963000000e-03 -6.3956000000e-03 -6.6928000000e-03

JOB 174
COORDS   3.1815800000e+00  1.2008900000e+00 -9.8801000000e-01  3.3734800000e+00  2.0408300000e+00 -5.7099000000e-01  3.4206200000e+00  1.3285800000e+00 -1.9060400000e+00 -1.0606400000e+00 -3.1220100000e+00  1.1294400000e+00 -6.3870000000e-01 -3.3086100000e+00  2.9077000000e-01 -1.5505400000e+00 -2.3139100000e+00  9.7708000000e-01 -7.2108000000e-01  1.7210200000e+00  2.4909800000e+00  4.2950000000e-02  1.3647800000e+00  2.0375700000e+00 -1.0600600000e+00  9.8689000000e-01  3.0032100000e+00  5.4869000000e-01 -2.6971900000e+00 -1.3725000000e+00  1.0037800000e+00 -1.9462200000e+00 -9.9148000000e-01 -2.5309000000e-01 -2.3289000000e+00 -1.7436400000e+00 -1.9474800000e+00 -1.3437200000e+00 -7.7229000000e-01 -1.8289700000e+00 -3.9399000000e-01 -7.8661000000e-01 -2.5097900000e+00 -1.5267800000e+00 -1.5249700000e+00 -2.4827500000e+00  2.0570500000e+00  6.7886000000e-01 -1.9100800000e+00  1.8693800000e+00  1.4225400000e+00 -2.8885100000e+00  2.8967900000e+00  8.9434000000e-01 -1.8881000000e+00  1.2709900000e+00 -1.9568400000e+00 -9.6650000000e-01  1.2239700000e+00 -1.7025000000e+00 -2.3373800000e+00  1.5881200000e+00 -1.1733800000e+00  2.7023700000e+00  3.3654200000e+00  9.3403000000e-01  2.2750600000e+00  2.7520300000e+00  1.5318500000e+00  2.5191600000e+00  4.2287400000e+00  1.3046300000e+00  1.3811700000e+00  1.2390000000e-02  1.3649000000e+00  2.0686400000e+00 -4.0896000000e-01  8.4907000000e-01  1.1300300000e+00 -6.4568000000e-01  2.0130600000e+00  6.1907000000e-01  6.7314000000e-01 -1.0871700000e+00  4.9711000000e-01  5.2861000000e-01 -1.4884000000e-01  1.5662500000e+00  7.5856000000e-01 -1.1957200000e+00  6.3150000000e-01 -2.0377300000e+00  3.0781600000e+00  1.2087000000e-01 -2.5608700000e+00  2.4602400000e+00  1.1624300000e+00 -2.6773700000e+00  3.5527100000e+00 -9.9171000000e-01 -1.2156900000e+00 -3.5704200000e+00 -1.0033500000e+00 -2.8570000000e-01 -3.3441300000e+00 -1.7853200000e+00 -1.3463500000e+00 -4.0894000000e+00
ENERGY -9.171691765813e+02
EMD0 -3.073431060000e+02
FORCES  -9.9299000000e-03  2.3375000000e-03  8.2732000000e-03  5.1241000000e-03 -8.4177000000e-03 -1.1834100000e-02 -4.1657000000e-03  4.2114000000e-03  3.9310000000e-03 -5.7197000000e-03  1.4762000000e-03 -1.8814100000e-02 -6.8501000000e-03 -6.3300000000e-04  9.3945000000e-03  6.6378000000e-03 -1.1823000000e-03  8.8754000000e-03 -8.7570000000e-04  5.7969000000e-03 -9.4463000000e-03 -1.0004200000e-02  1.0025000000e-03  5.5589000000e-03 -7.6420000000e-04  1.5940000000e-03 -8.4716000000e-03 -4.1190000000e-03  9.2373000000e-03 -9.4128000000e-03  4.8970000000e-04 -2.9820000000e-03  2.2773000000e-03  4.5222000000e-03 -7.0989000000e-03  7.7825000000e-03  3.6697000000e-03  6.4877000000e-03 -9.8906000000e-03  3.9510000000e-04 -5.2243000000e-03  6.8250000000e-03 -3.1820000000e-04 -1.5380000000e-04  1.1949000000e-03  1.9924900000e-02 -5.7301000000e-03  1.4631200000e-02 -1.3169800000e-02  8.9880000000e-04 -5.0565000000e-03  3.1969000000e-03 -1.2549000000e-03  4.7710000000e-03  7.6106000000e-03  8.0557000000e-03  7.1897000000e-03 -1.6966200000e-02 -4.5715000000e-03  8.4680000000e-04  5.6189000000e-03 -8.4770000000e-03 -7.2304000000e-03  4.3280000000e-04  2.1750000000e-03 -2.5786000000e-03  8.3690000000e-04  6.9139000000e-03  4.7260000000e-04 -2.7961000000e-03 -4.5905000000e-03  4.2159000000e-03 -1.2803000000e-03 -8.0188000000e-03  1.1270000000e-03 -6.2296000000e-03 -4.8094000000e-03  2.4011000000e-03  4.3732000000e-03  1.4155100000e-02 -1.6182000000e-02  2.1446800000e-02  6.1584000000e-03  8.1024000000e-03 -4.9900000000e-05  1.4805000000e-03 -5.3462000000e-03 -8.0412000000e-03 -8.3905000000e-03  3.8510000000e-04 -1.0039500000e-02 -5.5604000000e-03 -4.8786000000e-03  1.8077000000e-02  8.9367000000e-03  1.5867600000e-02 -3.5877000000e-03 -4.3244000000e-03 -4.6003000000e-03  2.8503000000e-03  3.3788000000e-03  2.2745000000e-03 -8.2800000000e-04 -5.2576000000e-03 -5.9384000000e-03  5.2790000000e-04  2.3806000000e-03  3.2825000000e-03

JOB 175
COORDS   2.6299500000e+00  2.3077200000e+00 -9.8211000000e-01  1.9353400000e+00  2.5492700000e+00 -1.5948200000e+00  3.4003100000e+00  2.7831800000e+00 -1.2931000000e+00 -1.3928400000e+00 -4.4132100000e+00  1.4722500000e+00 -1.1906600000e+00 -5.0653300000e+00  8.0136000000e-01 -1.4623800000e+00 -3.5882500000e+00  9.9180000000e-01  5.4224000000e-01  1.7471900000e+00  2.3289600000e+00  8.0605000000e-01  8.4902000000e-01  2.5287900000e+00  1.2830300000e+00  2.1129900000e+00  1.8456000000e+00  4.3227000000e-01 -1.7569600000e+00 -2.2904600000e+00  8.4238000000e-01 -1.4440500000e+00 -1.4841600000e+00  1.2686000000e-01 -9.6247000000e-01 -2.7283500000e+00 -1.5222400000e+00 -2.1930800000e+00 -4.3430000000e-01 -1.6722000000e+00 -1.2521400000e+00 -5.2585000000e-01 -8.1278000000e-01 -2.3838500000e+00 -1.0478900000e+00 -1.2257800000e+00  3.2309100000e+00  8.6059000000e-01 -5.8483000000e-01  2.7775100000e+00  1.4081700000e+00 -1.9247700000e+00  3.4797900000e+00  1.4653300000e+00 -1.2510700000e+00  9.2007000000e-01 -7.2867000000e-01 -3.8737000000e-01  5.3190000000e-01 -5.8871000000e-01 -1.1433500000e+00  1.8394300000e+00 -4.8492000000e-01  8.4618000000e-01  3.3760000000e+00 -2.6353400000e+00  3.9847000000e-01  3.9818900000e+00 -2.0448600000e+00  1.4003000000e-01  2.8888300000e+00 -3.0599000000e+00  1.2675900000e+00 -1.0783900000e+00  2.5542500000e+00  1.9186700000e+00 -1.4941000000e+00  3.1195000000e+00  4.8801000000e-01 -1.6267500000e+00  2.6425300000e+00  1.1938700000e+00 -1.5009000000e-01 -3.2972000000e-01  1.3879900000e+00 -3.4461000000e-01  5.8718000000e-01  1.9999000000e+00  2.3976000000e-01 -6.6820000000e-01 -5.6206000000e-01 -2.7323500000e+00  3.4967800000e+00 -9.6255000000e-01 -3.4684900000e+00  3.0342600000e+00 -1.2802600000e+00 -2.3429500000e+00  3.9955600000e+00 -9.7224000000e-01  6.6534000000e-01 -3.3413700000e+00 -1.6866500000e+00  4.0304000000e-01 -3.9219300000e+00 -1.3811800000e+00  7.4812000000e-01 -2.4798900000e+00
ENERGY -9.171946728663e+02
EMD0 -3.569572470000e+02
FORCES  -1.1717600000e-02  9.0283000000e-03 -1.1774500000e-02  1.1814900000e-02 -3.5714000000e-03  9.9147000000e-03 -3.4541000000e-03  1.6497000000e-03 -2.0835000000e-03 -1.1836000000e-03  2.8322000000e-03 -3.2996000000e-03 -4.8430000000e-04  4.3816000000e-03 -3.7448000000e-03  4.9530000000e-03 -1.4279500000e-02  1.0328200000e-02 -5.1494000000e-03 -1.0598000000e-02  4.5135000000e-03  3.8004000000e-03  1.4973700000e-02 -5.1768000000e-03 -6.0081000000e-03 -3.3034000000e-03  1.2915000000e-03  1.1577000000e-03  1.3119500000e-02  2.9789000000e-03 -9.0303000000e-03 -4.7977000000e-03 -4.1264000000e-03  5.4390000000e-03 -6.3168000000e-03  9.3930000000e-03  5.2202000000e-03  7.5069000000e-03 -1.3743100000e-02  5.2741000000e-03 -5.1221000000e-03 -3.8247000000e-03 -3.5007000000e-03  9.2910000000e-04  1.3681200000e-02  3.0430000000e-03 -9.5669000000e-03  6.6404000000e-03 -5.0345000000e-03  1.0807300000e-02 -8.5148000000e-03  3.8517000000e-03 -8.5450000000e-04  3.8889000000e-03  8.7793000000e-03  4.4630000000e-03  1.0132200000e-02 -1.3736700000e-02  5.3274000000e-03 -3.9188000000e-03  1.0915900000e-02 -9.3799000000e-03 -1.0532900000e-02  6.4133000000e-03 -3.5342000000e-03 -2.7532000000e-03 -1.8270000000e-04 -5.5165000000e-03 -2.6887000000e-03  6.7060000000e-04  1.0648600000e-02  6.9194000000e-03 -1.4799300000e-02 -1.7102900000e-02  9.6858000000e-03 -1.8567000000e-03 -1.5550000000e-03  1.7600000000e-04  1.4754600000e-02  9.9854000000e-03 -4.6166000000e-03 -7.3926000000e-03  2.7747000000e-03 -3.4856000000e-03  4.1058000000e-03  8.3054000000e-03 -1.3379100000e-02 -4.3129000000e-03 -1.3726900000e-02  6.7005000000e-03  6.1244000000e-03 -5.9794000000e-03 -6.9110000000e-03 -3.3271000000e-03  1.4849000000e-02  1.1189000000e-02 -1.7554000000e-03 -4.6338000000e-03 -3.7695000000e-03 -1.4759000000e-03  1.3615000000e-03  1.5507600000e-02 -2.2998000000e-03  1.1426000000e-03  7.4520000000e-03  3.8390000000e-04 -4.2470000000e-03 -2.2049100000e-02

JOB 176
COORDS   1.1709400000e+00  1.0651300000e+00 -1.4047800000e+00  9.5779000000e-01  1.1670200000e+00 -2.3323600000e+00  4.1909000000e-01  6.0212000000e-01 -1.0352200000e+00 -1.9314600000e+00 -3.9019300000e+00  3.4790000000e-02 -2.3586600000e+00 -4.6983300000e+00 -2.8060000000e-01 -1.8322200000e+00 -3.3574400000e+00 -7.4618000000e-01  8.8004000000e-01  3.6331800000e+00  1.7051000000e+00  1.5109700000e+00  4.2275800000e+00  2.1111000000e+00  1.4090600000e+00  3.0733200000e+00  1.1368300000e+00  1.1475300000e+00 -2.5487100000e+00 -6.8973000000e-01  1.4773300000e+00 -3.4393400000e+00 -8.0906000000e-01  1.9224900000e+00 -1.9928500000e+00 -7.7159000000e-01 -1.0790600000e+00 -2.0070500000e+00 -2.2048800000e+00 -1.2923000000e+00 -1.0813800000e+00 -2.3227600000e+00 -2.6264000000e-01 -2.0035100000e+00 -1.7052100000e+00 -1.1124900000e+00  2.0700100000e+00  3.2575200000e+00 -6.0632000000e-01  1.3020200000e+00  3.5225200000e+00 -5.1641000000e-01  2.5693700000e+00  2.6993500000e+00 -1.1615900000e+00  6.9962000000e-01  6.2705000000e-01 -1.6233600000e+00 -9.9490000000e-02  8.8088000000e-01 -1.2767500000e+00  1.2901100000e+00  1.3715600000e+00  9.6488000000e-01  3.2960400000e+00 -3.1834300000e+00  1.9203700000e+00  3.2548200000e+00 -3.2231200000e+00  7.7244000000e-01  3.5352900000e+00 -2.2768100000e+00  1.1821300000e+00 -6.1721000000e-01  2.3712100000e+00  1.6611600000e+00 -1.3005900000e+00  2.8399900000e+00  3.6430000000e-01 -1.0371600000e+00  2.1047000000e+00  2.8190700000e+00 -4.0920000000e-01 -3.3250000000e-02  2.3007600000e+00 -6.5265000000e-01  7.3377000000e-01  2.2467400000e+00  1.7094000000e-01 -5.3535000000e-01 -1.2599800000e+00 -1.8786100000e+00  1.9525400000e+00 -1.2969100000e+00 -2.5224000000e+00  1.2451500000e+00 -1.9988000000e+00 -2.1016000000e+00  2.5188000000e+00 -1.6325200000e+00  6.4328000000e-01 -2.4474600000e+00 -1.9845200000e+00  1.1664900000e+00 -3.1675800000e+00 -1.7015400000e+00  1.2126100000e+00 -1.6810800000e+00
ENERGY -9.171669046496e+02
EMD0 -3.125679660000e+02
FORCES   5.9123000000e-03 -2.5248000000e-03  1.3558000000e-03 -8.2690000000e-04 -3.3197000000e-03  6.1324000000e-03  9.5894000000e-03 -2.0374000000e-03 -8.7131000000e-03  1.3487000000e-03  1.1516000000e-03 -1.2268000000e-03  6.1040000000e-04  2.9914000000e-03 -5.9985000000e-03 -4.2663000000e-03 -1.2228300000e-02  1.3102100000e-02 -1.9934000000e-03  1.6473000000e-03  1.6858000000e-03  2.9273000000e-03 -3.3413000000e-03 -5.1556000000e-03  1.5300000000e-03  6.8194000000e-03  4.0405000000e-03  2.8171000000e-03  8.2502000000e-03  1.2483000000e-03  5.6506000000e-03  4.4272000000e-03 -5.1000000000e-06 -1.1112200000e-02 -1.4990900000e-02 -3.9278000000e-03  5.6849000000e-03  8.3655000000e-03 -5.2919000000e-03  1.0475300000e-02 -6.7292000000e-03  4.9418000000e-03 -1.2951500000e-02  9.2339000000e-03 -4.0002000000e-03  3.8914000000e-03  8.0130000000e-03  6.0376000000e-03 -2.1340000000e-03  3.8848000000e-03 -4.1304000000e-03 -9.0224000000e-03 -1.4501000000e-02  2.3890000000e-04  7.6970000000e-04 -1.9618000000e-03  1.5523100000e-02 -1.8940000000e-03  8.8429000000e-03 -1.4285000000e-03  5.2760000000e-04 -5.8140000000e-03 -6.9379000000e-03 -7.0300000000e-04  5.9690000000e-04  4.0160000000e-04 -3.3624000000e-03 -1.0900000000e-05  3.8571000000e-03  3.9672000000e-03 -4.5800000000e-05 -3.2594000000e-03 -1.0897900000e-02 -1.1797000000e-03 -7.7200000000e-05 -2.6497000000e-03 -8.3050000000e-04 -4.4018000000e-03  1.4205900000e-02  2.2379000000e-03  2.7823000000e-03 -7.4768000000e-03  1.8210600000e-02 -1.8030000000e-04  1.6303000000e-03 -4.3413000000e-03 -1.4855500000e-02 -4.2524000000e-03 -1.1224700000e-02  9.8441000000e-03  4.5253000000e-03 -6.1470000000e-03 -1.4791000000e-03 -1.6815000000e-03  1.2026100000e-02  7.8162000000e-03 -6.3760000000e-04 -1.2762000000e-03 -3.8186000000e-03  7.9250000000e-04 -1.1337300000e-02  2.3310000000e-03 -1.0475000000e-03  3.7526000000e-03  6.7287000000e-03  5.3500000000e-05  3.3905000000e-03 -1.3179700000e-02

JOB 177
COORDS   3.5895000000e-01  1.1878300000e+00 -1.5303800000e+00  9.1647000000e-01  4.1673000000e-01 -1.6343400000e+00 -2.8853000000e-01  9.2918000000e-01 -8.7456000000e-01 -1.9243100000e+00 -4.2448700000e+00  1.6086000000e-01 -2.8187000000e+00 -4.0005700000e+00 -7.7100000000e-02 -1.3892900000e+00 -3.9404500000e+00 -5.7216000000e-01  2.4168700000e+00  2.4261500000e+00  1.1591000000e-01  1.7628300000e+00  3.1243700000e+00  1.4681000000e-01  2.0731200000e+00  1.8034900000e+00 -5.2468000000e-01  1.6430300000e+00 -1.4881600000e+00 -8.7793000000e-01  2.3758600000e+00 -2.0908000000e+00 -1.0044800000e+00  1.9122000000e+00 -9.3340000000e-01 -1.4579000000e-01 -7.5448000000e-01 -2.4192700000e+00 -1.6947100000e+00 -1.0100000000e+00 -1.8610900000e+00 -2.4291300000e+00  1.1369000000e-01 -2.1035600000e+00 -1.4440300000e+00 -2.5165000000e-01  2.5580400000e+00  2.2426200000e+00  1.2404000000e-01  1.7448500000e+00  2.5799900000e+00 -1.0440700000e+00  2.6903200000e+00  2.7630000000e+00 -1.6659500000e+00  7.1707000000e-01  3.5023000000e-01 -2.0527100000e+00 -3.3510000000e-02  8.0110000000e-01 -1.4293800000e+00  1.3230300000e+00  1.0524300000e+00 -4.0550000000e-02  3.9447200000e+00 -4.6109000000e-01  1.7068000000e-01  3.0844600000e+00 -8.2382000000e-01 -5.1144000000e-01  3.7540500000e+00  3.5017000000e-01  3.9309000000e-01 -2.6274000000e-01  2.4951000000e+00  7.9937000000e-01 -8.8453000000e-01  3.0988800000e+00 -2.1374000000e-01 -7.9219000000e-01  1.9777300000e+00  2.8036000000e+00 -3.4360000000e-02  1.2946500000e+00  1.9161700000e+00 -1.2111000000e-01  1.6427600000e+00  2.8265300000e+00  8.4261000000e-01  9.1173000000e-01 -1.5475700000e+00 -1.8036100000e+00  1.4171500000e+00 -1.3831300000e+00 -2.6085700000e+00  9.2600000000e-01 -2.2100700000e+00 -2.0478800000e+00  2.0634100000e+00 -1.2744700000e+00 -4.7553000000e-01 -3.5909700000e+00 -1.8462600000e+00 -3.5036000000e-01 -4.3483400000e+00 -1.2651500000e+00  3.7603000000e-01 -3.1539500000e+00
ENERGY -9.171806568982e+02
EMD0 -3.427671590000e+02
FORCES  -6.3365000000e-03 -4.5677000000e-03  3.0324000000e-03 -2.8894000000e-03  7.9536000000e-03  8.0756000000e-03  1.6107500000e-02  6.1164000000e-03 -1.0229000000e-02  1.8423000000e-03 -2.5132000000e-03 -9.4927000000e-03  3.0891000000e-03  2.5390000000e-03  1.3046000000e-03 -6.9675000000e-03 -3.9115000000e-03  1.5151400000e-02 -8.6984000000e-03  9.4594000000e-03 -1.7435000000e-03  1.6456000000e-03 -1.0017200000e-02 -5.0079000000e-03  4.9447000000e-03 -5.2603000000e-03  1.0021000000e-02  3.3320000000e-04  2.5377000000e-03  8.8093000000e-03 -1.2679000000e-03  1.0821000000e-03  3.4965000000e-03 -9.4727000000e-03 -6.2188000000e-03 -1.5018200000e-02  5.6818000000e-03  1.1704800000e-02 -6.1906000000e-03  8.3986000000e-03 -4.0066000000e-03  8.7587000000e-03 -8.7667000000e-03 -1.4606000000e-03 -6.8028000000e-03  1.3727100000e-02 -3.6500000000e-04  3.5396000000e-03 -1.1395200000e-02  9.8458000000e-03  1.0757000000e-03  1.2318000000e-03 -6.9450000000e-03 -4.4254000000e-03  1.5350000000e-04 -8.7997000000e-03  3.6230000000e-04 -2.1311000000e-03  1.3601600000e-02  8.5134000000e-03 -6.1688000000e-03 -1.0638000000e-02 -9.4450000000e-04 -2.8342000000e-03 -3.8820000000e-04 -3.2711000000e-03  3.9733000000e-03  5.1433000000e-03  1.2791500000e-02 -1.5140000000e-04 -1.8831000000e-03 -5.8277000000e-03 -9.1710000000e-03 -5.5373000000e-03 -8.9482000000e-03 -8.9010000000e-04 -1.4189000000e-03 -7.6594000000e-03  1.5222100000e-02  7.7754000000e-03  1.0171100000e-02 -1.0846000000e-03  1.6421900000e-02  1.5332900000e-02  6.7712000000e-03 -4.8720000000e-03 -1.1579300000e-02 -8.0145000000e-03 -1.5967200000e-02 -6.1863000000e-03  4.8050000000e-03 -1.1878000000e-02 -1.4401400000e-02  6.2340000000e-04  1.2216400000e-02  1.1845900000e-02 -7.1200000000e-05  1.8465000000e-03 -3.8459000000e-03  4.8769000000e-03 -3.3295000000e-03  3.8676000000e-03  2.7470000000e-04  5.8871000000e-03  3.4596000000e-03 -7.3907000000e-03 -4.1533000000e-03 -8.0354000000e-03

JOB 178
COORDS  -6.9256000000e-01  2.2213700000e+00 -1.3289100000e+00 -6.5023000000e-01  1.3273600000e+00 -1.6683000000e+00 -1.1044900000e+00  2.1325400000e+00 -4.6946000000e-01 -5.6202000000e-01 -2.9965900000e+00 -1.8946000000e-01 -5.7922000000e-01 -3.7486300000e+00 -7.8137000000e-01 -4.9653000000e-01 -2.2370500000e+00 -7.6830000000e-01  3.0318200000e+00  2.4143900000e+00  4.2128000000e-01  2.8561100000e+00  2.8720200000e+00  1.2434300000e+00  2.7507400000e+00  3.0264400000e+00 -2.5888000000e-01  2.1384300000e+00 -1.3515900000e+00 -2.5146100000e+00  2.4231600000e+00 -7.3665000000e-01 -3.1906400000e+00  2.4807400000e+00 -9.8660000000e-01 -1.6986200000e+00 -3.9061000000e-01 -5.5867000000e-01 -1.6399300000e+00 -8.7481000000e-01 -1.0887200000e+00 -2.2730400000e+00  5.3010000000e-01 -7.2338000000e-01 -1.8433600000e+00  2.7550000000e-01  3.7291000000e-01  2.2985900000e+00 -5.1033000000e-01  2.2994000000e-01  2.8260900000e+00  7.0491000000e-01  1.1248200000e+00  2.7066100000e+00 -2.1984300000e+00  1.2570500000e+00  1.2667800000e+00 -1.7900100000e+00  4.0008000000e-01  1.1442200000e+00 -2.1710100000e+00  1.4029300000e+00  2.2124000000e+00  1.6349200000e+00  4.1532200000e+00 -1.1948300000e+00  7.6668000000e-01  3.7639300000e+00 -1.2989500000e+00  1.8236100000e+00  4.5499300000e+00 -2.0452700000e+00 -1.8762900000e+00 -2.5259000000e-01  3.6406800000e+00 -2.1116800000e+00 -4.4742000000e-01  4.5477900000e+00 -2.0773000000e+00 -1.0570600000e+00  3.1625000000e+00  2.6235500000e+00 -3.7133000000e-01  5.7615000000e-01  1.9914400000e+00 -6.2013000000e-01  1.2505100000e+00  2.6650800000e+00  5.8363000000e-01  6.2677000000e-01 -2.1354400000e+00 -2.0929900000e+00  1.7850900000e+00 -1.4688500000e+00 -2.4128200000e+00  1.1771500000e+00 -2.8597500000e+00 -1.8168700000e+00  1.2235100000e+00 -1.7201300000e+00 -2.7766400000e+00 -3.0559000000e+00 -1.9737500000e+00 -3.6507500000e+00 -3.3522900000e+00 -2.3541800000e+00 -2.1900300000e+00 -3.4683400000e+00
ENERGY -9.171621748214e+02
EMD0 -2.970543200000e+02
FORCES  -1.8498000000e-03 -1.4079700000e-02  2.4529000000e-03 -4.3595000000e-03  9.2586000000e-03  6.4810000000e-04  4.3831000000e-03 -6.3850000000e-04 -8.7684000000e-03  4.4000000000e-05  7.1368000000e-03  8.0800000000e-04  1.0088000000e-03  3.5136000000e-03 -4.4933000000e-03 -3.2919000000e-03 -1.3177800000e-02 -1.2260000000e-04 -4.9816000000e-03  5.6230000000e-03 -1.2816400000e-02 -1.9953000000e-03 -4.9700000000e-04 -1.8598000000e-03  9.0136000000e-03 -5.1044000000e-03  1.1998000000e-02  6.1170000000e-03 -8.1049000000e-03  1.5294000000e-03 -8.3760000000e-04  1.5366000000e-03  5.4412000000e-03 -8.9614000000e-03  3.4217000000e-03 -1.7497600000e-02  1.4576700000e-02 -3.1570000000e-04 -2.2593000000e-03  1.2160000000e-03  1.7080000000e-03  4.9791000000e-03 -1.4246500000e-02  2.4150000000e-03  4.7022000000e-03 -1.8665900000e-02 -3.7301000000e-03  4.7501000000e-03  3.5348000000e-03  8.7238000000e-03 -1.0548900000e-02 -3.5922000000e-03 -1.9972000000e-03  3.5561000000e-03  7.2156000000e-03 -4.9550000000e-03  1.0391600000e-02 -5.1955000000e-03  8.4980000000e-04  1.7106000000e-03  2.4638000000e-03  2.8740000000e-04 -1.7245000000e-03 -5.3184000000e-03 -5.9584000000e-03  5.1598000000e-03  1.1381500000e-02  1.4561100000e-02 -4.3432000000e-03 -4.3773000000e-03 -2.8291000000e-03 -3.0100000000e-04  1.0154900000e-02 -6.6226000000e-03 -2.1176700000e-02 -3.3508000000e-03 -7.0350000000e-03 -4.1547000000e-03 -1.4031000000e-03  1.3921900000e-02  1.8621300000e-02 -9.0970000000e-04  9.6478000000e-03  5.1434000000e-03  7.7411000000e-03  3.8113000000e-03 -4.6010000000e-04 -4.3780000000e-03 -1.2959600000e-02  6.4725000000e-03  1.6028600000e-02 -9.8809000000e-03 -5.8065000000e-03 -1.4787400000e-02  1.1892200000e-02  6.5089000000e-03  4.5603000000e-03  1.2667000000e-03 -7.5540000000e-04  4.4326000000e-03 -3.2089000000e-03  2.1415000000e-03 -4.3815000000e-03  4.6196000000e-03 -1.4947000000e-03  3.0109000000e-03 -3.1002000000e-03  1.5683000000e-03

JOB 179
COORDS  -1.3587400000e+00  2.0490400000e+00 -1.2843200000e+00 -1.3804700000e+00  1.2035800000e+00 -8.3604000000e-01 -1.2873100000e+00  1.8267200000e+00 -2.2126000000e+00 -2.1205000000e+00  2.3867200000e+00  1.4966700000e+00 -1.6889400000e+00  3.2145400000e+00  1.7081200000e+00 -2.3179500000e+00  2.4508400000e+00  5.6225000000e-01  2.7257200000e+00  1.9757000000e-01 -1.2972800000e+00  3.5539800000e+00  4.3209000000e-01 -8.7869000000e-01  2.2821400000e+00  1.0341900000e+00 -1.4370500000e+00  2.2643600000e+00 -2.0950000000e+00 -2.5215000000e+00  2.2777800000e+00 -1.2553500000e+00 -2.0621200000e+00  2.3109700000e+00 -1.8620300000e+00 -3.4487500000e+00 -9.3441000000e-01 -4.9704000000e-01 -3.2296800000e+00 -1.1200700000e+00 -4.5573000000e-01 -2.2915700000e+00 -2.3229000000e-01 -1.1429900000e+00 -3.3071600000e+00  7.0914000000e-01  8.3382000000e-01  2.9971800000e+00  9.4067000000e-01  1.6847600000e+00  3.3693700000e+00 -2.3773000000e-01  7.6746000000e-01  3.1207200000e+00 -1.9277000000e+00  4.1326000000e-01  3.3848100000e+00 -2.2168800000e+00  1.1885100000e+00  2.9035500000e+00 -1.9622000000e+00 -2.9503000000e-01  2.7418800000e+00  1.3549700000e+00  2.6179900000e+00 -1.2948200000e+00  4.1532000000e-01  2.6196600000e+00 -1.1124000000e+00  1.6101800000e+00  3.5393500000e+00 -1.2479100000e+00 -1.1633900000e+00 -2.2651800000e+00  1.7259100000e+00 -8.1747000000e-01 -2.4561600000e+00  2.5977400000e+00 -4.5979000000e-01 -2.5175100000e+00  1.1279800000e+00  9.8562000000e-01 -4.7625000000e-01  6.8212000000e-01  1.1263200000e+00 -6.5020000000e-02  1.5349600000e+00  1.6011800000e+00 -3.3660000000e-02  9.7800000000e-02 -1.4397400000e+00 -3.8029000000e-01 -3.7232000000e-01 -1.8801900000e+00 -1.1900700000e+00 -1.1446000000e-01 -5.9504000000e-01 -4.1308000000e-01  7.6720000000e-02  7.6381000000e-01 -2.9792200000e+00 -2.8087000000e-01  1.2755100000e+00 -3.0272000000e+00 -1.0884000000e+00  1.0513600000e+00 -2.1677800000e+00  1.3759000000e-01
ENERGY -9.171871207943e+02
EMD0 -3.550471870000e+02
FORCES  -8.9810000000e-03 -2.0072600000e-02  2.6042000000e-03  7.7200000000e-03  1.4020400000e-02 -7.1747000000e-03  4.1574000000e-03 -1.5124000000e-03  7.0240000000e-03 -1.3746000000e-03 -8.1785000000e-03 -4.7152000000e-03 -1.0073000000e-03 -1.1794000000e-03 -2.6125000000e-03  2.8071000000e-03  4.9566000000e-03  7.9724000000e-03 -5.0524000000e-03 -4.4005000000e-03 -8.6778000000e-03 -5.4323000000e-03  6.2791000000e-03  1.3441000000e-03  1.0598900000e-02 -1.8327700000e-02  8.3349000000e-03  7.7157000000e-03  7.8159000000e-03  7.7423000000e-03 -7.6602000000e-03 -8.1866000000e-03 -6.7506000000e-03 -1.4821000000e-03  5.6615000000e-03  3.0547000000e-03 -4.3864000000e-03 -4.7559000000e-03  5.2923000000e-03  5.8157000000e-03  4.5463000000e-03 -1.1748800000e-02 -1.5192000000e-03  2.9608000000e-03  2.2505000000e-03 -1.9114400000e-02 -8.9989000000e-03  1.2174000000e-03 -6.7898000000e-03  9.9070000000e-04  2.5520000000e-04  2.0054700000e-02  1.0212100000e-02 -6.1966000000e-03 -6.7011000000e-03  1.7817000000e-03 -3.6602000000e-03  7.8858000000e-03 -6.7784000000e-03  7.2668000000e-03  2.4564000000e-03  8.9557000000e-03  3.8958000000e-03 -1.2773500000e-02 -5.7080000000e-03 -2.1286000000e-03  1.9828300000e-02  1.0092700000e-02  3.6200000000e-04 -7.6440000000e-03  3.4870000000e-04  2.2882000000e-03  2.9052000000e-03 -4.8339000000e-03 -8.8639000000e-03  2.9723000000e-03  1.1762000000e-03 -3.7467000000e-03 -5.7890000000e-04  8.7429000000e-03  9.4827000000e-03 -3.1989000000e-03  2.4260000000e-03  3.9631000000e-03  7.3963000000e-03 -6.2261000000e-03 -1.9840100000e-02 -6.3325000000e-03  2.3700000000e-03  1.1143700000e-02  1.1107100000e-02  3.0333000000e-03  1.1015100000e-02  6.7451000000e-03  1.7450000000e-04 -1.2236000000e-03 -1.7661600000e-02  1.2035000000e-03 -1.0710200000e-02  3.8470000000e-03  5.8945000000e-03 -5.2164000000e-03 -2.1690000000e-04  4.8796000000e-03  1.0338000000e-02 -6.1060000000e-03 -9.3637000000e-03 -3.5818000000e-03

JOB 180
COORDS  -4.4848000000e-01  2.3282300000e+00 -9.9743000000e-01 -1.0912900000e+00  1.7810800000e+00 -5.4615000000e-01 -7.2920000000e-01  3.2256300000e+00 -8.1827000000e-01 -4.7961900000e+00  8.7292000000e-01  3.5941900000e+00 -5.5744500000e+00  5.9511000000e-01  4.0772700000e+00 -5.0695700000e+00  1.6669900000e+00  3.1349000000e+00  5.0087600000e+00 -4.5030000000e-02 -3.4368300000e+00  5.5275800000e+00  7.0102000000e-01 -3.7376200000e+00  4.1030900000e+00  2.0090000000e-01 -3.6252900000e+00  1.6378200000e+00 -1.8311300000e+00  2.0186000000e-01  1.8548100000e+00 -8.9895000000e-01  2.1544000000e-01  2.4298400000e+00 -2.2665100000e+00  5.1710000000e-01  1.1253200000e+00  4.3928000000e-01 -2.6411600000e+00  3.6371000000e-01  9.6590000000e-01 -2.3985800000e+00  1.4955200000e+00  1.5373000000e-01 -1.8059100000e+00  4.3104000000e-01 -6.1770000000e-02  2.7963300000e+00  1.4358000000e-01 -9.3213000000e-01  2.5205200000e+00 -2.6874000000e-01  2.5171000000e-01  3.3692800000e+00 -2.2193800000e+00  4.2820000000e-02  3.4287300000e+00 -3.1732700000e+00  1.1970000000e-01  3.4083700000e+00 -2.0402000000e+00 -8.2056000000e-01  3.0562900000e+00  2.7898400000e+00  1.2688800000e+00 -4.8052900000e+00  2.3783600000e+00  1.0228000000e+00 -3.9768200000e+00  2.1835800000e+00  9.5590000000e-01 -5.4766500000e+00 -1.2215900000e+00 -2.3259200000e+00  2.1111300000e+00 -1.7496400000e+00 -3.0443200000e+00  2.4594000000e+00 -1.3627700000e+00 -2.3610300000e+00  1.1650600000e+00  1.5630500000e+00  8.5392000000e-01  1.3322000000e-01  1.3419600000e+00  9.1691000000e-01  1.0624000000e+00  1.0966600000e+00  1.5836700000e+00 -2.7445000000e-01 -2.2715800000e+00  5.9845000000e-01  2.5210000000e-01 -1.8896900000e+00  8.1427000000e-01  1.1028700000e+00 -2.0289100000e+00 -3.1573000000e-01  1.0507000000e-01 -1.3503300000e+00 -2.1124400000e+00 -7.2684000000e-01 -1.4552500000e+00 -2.6169800000e+00 -1.5334800000e+00 -4.1303000000e-01 -2.1549700000e+00 -5.3737000000e-01
ENERGY -9.171657847203e+02
EMD0 -3.141609290000e+02
FORCES  -6.8872000000e-03 -8.9967000000e-03  5.8900000000e-05  1.4816400000e-02  1.6702700000e-02 -1.1943000000e-03 -3.8917000000e-03 -4.3984000000e-03  5.5112000000e-03  1.0002100000e-02 -1.7777000000e-03  1.6970000000e-04 -1.1629000000e-03  5.1017000000e-03 -3.8596000000e-03 -5.5444000000e-03 -2.5761000000e-03  4.2944000000e-03 -4.1426000000e-03  1.6909000000e-03 -6.1191000000e-03 -1.1443000000e-03 -3.7930000000e-04  1.5328000000e-03  7.6520000000e-04  9.5470000000e-04  6.8371000000e-03  1.5182000000e-03  1.0416900000e-02 -6.4750000000e-04  5.2744000000e-03 -1.3321200000e-02  4.5710000000e-03  1.9647000000e-03  7.4141000000e-03  5.0910000000e-04 -2.8570000000e-03  3.7198000000e-03  6.0393000000e-03  3.5771000000e-03 -7.8613000000e-03  1.3864000000e-03 -3.8390000000e-03  3.4649000000e-03 -3.5233000000e-03 -9.1804000000e-03 -5.7763000000e-03  6.0860000000e-03 -2.0862000000e-03  7.7264000000e-03  2.6754000000e-03  3.8691000000e-03 -6.4920000000e-03 -3.4414000000e-03 -3.6849000000e-03  3.4095000000e-03  5.1853000000e-03  9.6066000000e-03 -1.2330700000e-02 -6.6532000000e-03 -6.2074000000e-03  8.3090000000e-03  4.1269000000e-03 -4.8243000000e-03 -5.5840000000e-04  4.7668000000e-03  1.4534600000e-02 -1.9130000000e-03 -1.1300400000e-02 -1.7078000000e-03  5.6770000000e-04  2.6456000000e-03  7.2128000000e-03  2.3250000000e-04 -7.3974000000e-03 -2.7290000000e-03  3.2032000000e-03 -5.2634000000e-03  9.1230000000e-04 -6.4800000000e-04  1.1484400000e-02 -6.8608000000e-03  5.9520000000e-04 -4.9967000000e-03  2.3182000000e-03  6.0468000000e-03 -1.3464300000e-02  5.2679000000e-03 -8.0682000000e-03  9.1760000000e-03 -6.4996000000e-03 -9.0999000000e-03 -9.6990000000e-04  3.5196000000e-03  1.0873000000e-03 -1.3432500000e-02 -5.3300000000e-05  8.1907000000e-03  1.0341200000e-02  3.7620000000e-04  1.7322000000e-03 -6.4495000000e-03  6.3512000000e-03 -1.2688000000e-03  1.7997000000e-03 -1.8583800000e-02 -5.1000000000e-03 -4.8480000000e-04

JOB 181
COORDS   8.5155000000e-01  2.9573100000e+00 -4.9693000000e-01  4.4817000000e-01  2.3749400000e+00  1.4678000000e-01  1.5484400000e+00  3.4022000000e+00 -1.4590000000e-02 -1.5825300000e+00 -1.8303600000e+00  4.3494900000e+00 -1.0429200000e+00 -1.7698700000e+00  5.1377800000e+00 -1.8793800000e+00 -9.3399000000e-01  4.1925000000e+00  3.8428500000e+00 -1.2007200000e+00 -2.5030300000e+00  4.2624100000e+00 -1.5481900000e+00 -3.2901000000e+00  3.2697100000e+00 -5.0452000000e-01 -2.8240400000e+00  2.0705000000e-01 -1.2266400000e+00  1.4943200000e+00  6.1715000000e-01 -1.6845300000e+00  7.6057000000e-01  4.5123000000e-01 -1.7401600000e+00  2.2643200000e+00  8.3758000000e-01  2.7722300000e+00 -3.1233500000e+00  5.2441000000e-01  3.0548100000e+00 -2.2641000000e+00  1.7133200000e+00  3.1517100000e+00 -3.1963100000e+00 -6.8300000000e-01  2.3430300000e+00  3.6129400000e+00 -3.9516000000e-01  3.2324800000e+00  3.4073400000e+00 -7.1760000000e-01  1.8999900000e+00  2.7651400000e+00 -2.9784700000e+00 -4.4819000000e-01 -4.4579000000e-01 -3.8241600000e+00 -3.0325000000e-01 -8.7008000000e-01 -3.1921200000e+00 -9.1536000000e-01  3.6188000000e-01  1.4624000000e+00  8.6100000000e-03 -3.3004800000e+00  1.2956000000e+00  9.5073000000e-01 -3.3290900000e+00  8.6949000000e-01 -3.1967000000e-01 -2.6245200000e+00 -2.4225600000e+00 -2.1803400000e+00  1.6551500000e+00 -1.4889100000e+00 -1.9714400000e+00  1.6255100000e+00 -2.6021900000e+00 -2.3458600000e+00  2.5806600000e+00  1.4704400000e+00 -2.4602800000e+00 -9.0296000000e-01  2.2804100000e+00 -2.0523300000e+00 -1.2091600000e+00  8.1459000000e-01 -2.2094900000e+00 -1.5535000000e+00 -6.1654000000e-01  1.3204400000e+00  9.8862000000e-01 -1.5042900000e+00  1.1138300000e+00  6.9632000000e-01 -2.4697000000e-01  4.7658000000e-01  1.2485500000e+00 -3.8139000000e-01 -1.6033000000e-01 -1.4483400000e+00 -5.2900000000e-03  5.1483000000e-01 -8.8359000000e-01 -1.2995900000e+00 -2.1125000000e-01 -1.1827300000e+00
ENERGY -9.171768737981e+02
EMD0 -3.198442540000e+02
FORCES  -1.1143700000e-02 -9.9917000000e-03 -5.3439000000e-03  1.4169600000e-02  6.7659000000e-03 -3.6387000000e-03 -3.1530000000e-03 -4.5887000000e-03  4.7092000000e-03 -3.0337000000e-03 -4.8486000000e-03  2.3448000000e-03 -8.5410000000e-04  5.6052000000e-03 -3.3045000000e-03  2.5158000000e-03 -5.0925000000e-03  1.0711000000e-03 -7.6545000000e-03  4.3463000000e-03 -4.8869000000e-03 -1.4244000000e-03  5.0902000000e-03 -1.4830000000e-03  1.6715700000e-02 -6.7930000000e-03  3.0146000000e-03  4.4064000000e-03  1.7009000000e-03 -1.0377200000e-02 -9.5243000000e-03  4.5493000000e-03  2.3246400000e-02 -1.9253000000e-03 -3.9945000000e-03 -8.0300000000e-03 -4.1252000000e-03  2.9040000000e-04  1.6088800000e-02  1.2554000000e-03  3.7879000000e-03 -1.0176100000e-02 -1.3503000000e-03 -2.3678000000e-03  1.9372000000e-03 -4.2910000000e-04 -1.6550000000e-03 -6.8362000000e-03  1.6590000000e-04 -2.5758000000e-03 -3.3671000000e-03  1.1930000000e-03  2.5307000000e-03  8.4663000000e-03  5.4419000000e-03 -1.2829100000e-02  2.1818000000e-03 -1.7382000000e-03 -3.4400000000e-03  7.2288000000e-03 -9.7327000000e-03  1.5521300000e-02 -1.2372400000e-02 -2.1735000000e-02  7.2888000000e-03  5.6861000000e-03  8.3034000000e-03 -1.1514200000e-02  1.5953000000e-03  8.8947000000e-03  1.5520000000e-04  1.7077000000e-03  1.3296200000e-02 -3.7768000000e-03  6.7700000000e-04 -8.7800000000e-03 -3.4252000000e-03  5.7881000000e-03  2.1570000000e-03  5.2142000000e-03 -3.2949000000e-03  6.9418000000e-03 -1.5931000000e-03 -9.3070000000e-03 -1.3122100000e-02 -6.9600000000e-04  4.0217000000e-03  5.1889000000e-03  3.4540000000e-04  1.0870000000e-04  5.2439000000e-03 -5.5232000000e-03 -4.6304000000e-03  8.8036000000e-03 -3.0311000000e-03  4.1912000000e-03 -1.0092100000e-02  1.8648300000e-02 -6.0997000000e-03 -4.1221000000e-03 -7.9340000000e-04 -5.6383000000e-03 -4.5839000000e-03 -2.2682000000e-03  2.4137000000e-03  1.3830100000e-02  8.9577000000e-03  2.3075000000e-03

JOB 182
COORDS   1.4013000000e-01  2.7213000000e+00 -7.3922000000e-01 -2.4334000000e-01  3.5979500000e+00 -7.1357000000e-01 -4.7280000000e-02  2.3520400000e+00  1.2378000000e-01 -2.1124400000e+00 -2.1421800000e+00  3.4238100000e+00 -2.3284400000e+00 -2.9008100000e+00  3.9660800000e+00 -2.2678200000e+00 -1.3883600000e+00  3.9928900000e+00  2.2075300000e+00 -2.7602700000e+00 -2.2887400000e+00  2.9683200000e+00 -3.1599400000e+00 -2.7102700000e+00  1.7320800000e+00 -2.3367400000e+00 -3.0034400000e+00  2.4874700000e+00  1.5407000000e+00  1.4648500000e+00  2.3260900000e+00  7.6281000000e-01  9.3094000000e-01  2.2796100000e+00  2.2753700000e+00  8.8754000000e-01  1.9873200000e+00  1.5575800000e+00 -2.8061500000e+00  2.5818800000e+00  1.7883600000e+00 -2.0923800000e+00  1.9447900000e+00  2.3458900000e+00 -3.3474400000e+00 -1.9871100000e+00  1.0097900000e+00  4.3092700000e+00 -2.8433700000e+00  1.3664000000e+00  4.0728700000e+00 -1.3828200000e+00  1.3966000000e+00  3.6756700000e+00 -3.0142600000e+00 -1.2308900000e+00 -6.5608000000e-01 -3.1057100000e+00 -2.1670600000e+00 -8.3342000000e-01 -2.3763500000e+00 -1.1827100000e+00  5.5950000000e-02  8.0002000000e-01 -9.8256000000e-01 -3.6609100000e+00  1.3709600000e+00 -2.1887000000e-01 -3.5770100000e+00 -2.4040000000e-02 -7.1174000000e-01 -3.2561700000e+00 -9.8665000000e-01 -9.6659000000e-01  1.1522400000e+00 -9.1893000000e-01 -1.5054500000e+00  1.9404500000e+00 -1.2315000000e-01 -1.0289700000e+00  7.4396000000e-01  1.3296900000e+00 -5.4220000000e-01 -2.1570000000e-01  1.6680900000e+00 -1.3378800000e+00 -6.2632000000e-01  8.3906000000e-01 -1.0350000000e-01 -9.1072000000e-01 -4.1490000000e-02  1.5286500000e+00  1.7790800000e+00 -3.2639000000e-01  6.2693000000e-01  1.6308700000e+00  8.6105000000e-01  1.4475700000e+00  2.0874000000e+00 -8.1396000000e-01  2.1400000000e-01 -1.7668700000e+00 -9.3108000000e-01  1.1354300000e+00 -1.5356100000e+00 -1.5797700000e+00 -2.2542000000e-01 -1.3971800000e+00
ENERGY -9.171884238359e+02
EMD0 -3.331116540000e+02
FORCES   2.5487000000e-03 -6.7728000000e-03  9.3058000000e-03  2.4000000000e-05 -3.3160000000e-03  3.6816000000e-03 -1.1031000000e-03  1.0241200000e-02 -2.0950600000e-02 -2.4330000000e-04  2.5496000000e-03 -3.8269000000e-03 -1.7300000000e-03  5.5007000000e-03  3.4771000000e-03 -2.4460000000e-03 -1.3373700000e-02  7.1030000000e-04 -1.0821900000e-02  8.3368000000e-03 -7.5435000000e-03 -3.7404000000e-03  3.4011000000e-03 -5.9025000000e-03  1.5847300000e-02 -1.3457100000e-02  4.7775000000e-03 -1.0297500000e-02 -5.3252000000e-03 -3.1030000000e-03 -3.9570000000e-04  1.3213400000e-02  8.1259000000e-03 -1.4976000000e-03 -4.8537000000e-03  1.2655000000e-03 -6.1868000000e-03  1.1714000000e-03  5.2333000000e-03  1.3195000000e-03  4.1068000000e-03 -4.6763000000e-03  5.0858000000e-03 -4.6450000000e-04  2.3174000000e-03  5.2292000000e-03  4.9782000000e-03 -7.8400000000e-05  3.5219000000e-03 -2.9620000000e-04 -2.0577000000e-03 -9.6290000000e-03 -6.1500000000e-04  6.0829000000e-03  1.7974000000e-03  5.7300000000e-04  9.6600000000e-03  3.2656000000e-03  6.6490000000e-04  4.3573000000e-03 -6.3113000000e-03 -1.2661000000e-03 -1.9209500000e-02 -3.8196000000e-03  6.3625000000e-03  1.0739300000e-02 -3.6848000000e-03 -8.1813000000e-03 -2.5571000000e-03  5.7398000000e-03 -3.2646000000e-03 -6.0676000000e-03  1.2350000000e-04 -1.0000000000e-05 -6.2389000000e-03  1.5070500000e-02  6.4425000000e-03 -1.1206900000e-02 -1.4661400000e-02 -6.3230000000e-04  1.7862600000e-02 -8.5288000000e-03  2.5391000000e-03 -1.3260900000e-02 -9.1082000000e-03  8.8893000000e-03  6.4051000000e-03  1.2531100000e-02 -7.1202000000e-03  1.0219700000e-02  1.9377800000e-02 -1.0052900000e-02 -5.8987000000e-03  1.4843200000e-02  9.4849000000e-03  3.5674000000e-03 -1.3184200000e-02 -6.9676000000e-03 -2.5228000000e-03 -1.9509000000e-03 -2.5494000000e-03 -3.0410000000e-04 -9.0680000000e-03 -1.2280000000e-02  5.2925000000e-03  1.2083100000e-02  1.2343100000e-02  2.3246000000e-03

JOB 183
COORDS  -1.3226400000e+00  2.1677200000e+00 -1.7615800000e+00 -1.8405000000e+00  1.3838400000e+00 -1.5783300000e+00 -1.0780000000e+00  2.5009700000e+00 -8.9825000000e-01 -8.5473000000e-01 -2.9054600000e+00  3.2722500000e+00 -2.2000000000e-02 -3.3555900000e+00  3.4143300000e+00 -8.0267000000e-01 -2.1247800000e+00  3.8236700000e+00  1.3541900000e+00 -1.3067500000e+00 -3.2352000000e-01  2.2603700000e+00 -1.6113900000e+00 -3.7109000000e-01  1.0820100000e+00 -1.2197100000e+00 -1.2370700000e+00 -6.4204000000e-01  3.0564100000e+00  1.0157700000e+00  2.9892000000e-01  2.9170300000e+00  9.0895000000e-01 -7.4383000000e-01  4.0081000000e+00  1.0278200000e+00  2.1523300000e+00 -2.5430000000e+00 -4.4712400000e+00  1.6814200000e+00 -3.3199100000e+00 -4.1697700000e+00  2.9151600000e+00 -2.8893600000e+00 -4.9342300000e+00  1.9294000000e-01 -7.6177000000e-01  4.7097700000e+00  1.1096100000e+00 -5.2342000000e-01  4.8481200000e+00 -1.4681000000e-01 -8.1460000000e-02  4.1284100000e+00 -2.3623900000e+00 -3.3692000000e-01 -1.0397400000e+00 -1.6188800000e+00 -7.5307000000e-01 -1.4759200000e+00 -2.3559400000e+00 -7.0117000000e-01 -1.5458000000e-01  5.1305000000e-01 -7.9185000000e-01 -2.8174400000e+00  9.3567000000e-01 -1.1906000000e+00 -3.5781000000e+00  9.0078000000e-01  8.1260000000e-02 -2.7577100000e+00 -1.1308300000e+00 -1.2803500000e+00  1.0909800000e+00 -9.9595000000e-01 -2.0746200000e+00  1.6078600000e+00 -2.8132000000e-01 -1.1122400000e+00  6.8319000000e-01  1.8798900000e+00  1.9858400000e+00  8.8800000000e-02  1.7425800000e+00  1.0395500000e+00  4.5060000000e-02  1.7906600000e+00  2.2834000000e+00 -8.1659000000e-01 -1.2596500000e+00  8.4534000000e-01  3.0319800000e+00 -1.5440900000e+00  9.3250000000e-02  2.5126700000e+00 -1.2797600000e+00  1.5810100000e+00  2.4199100000e+00  1.2471100000e+00  1.9099900000e+00 -2.6405200000e+00  1.3891200000e+00  2.4411200000e+00 -3.4240800000e+00  3.1161000000e-01  1.9973800000e+00 -2.4576700000e+00
ENERGY -9.171978534133e+02
EMD0 -3.620987160000e+02
FORCES  -1.4180300000e-02 -8.8901000000e-03  8.5772000000e-03  9.6099000000e-03  1.4252200000e-02 -1.9706000000e-03  2.7638000000e-03 -5.3982000000e-03 -1.2093600000e-02  1.7407000000e-03  9.0842000000e-03  9.8820000000e-03 -1.5380000000e-04  1.6186000000e-03 -9.2230000000e-04 -4.7351000000e-03 -5.6768000000e-03 -9.5057000000e-03 -8.8492000000e-03 -4.8098000000e-03 -1.3237300000e-02 -1.5516000000e-03  1.8420000000e-03 -7.0881000000e-03  1.1288200000e-02  1.3369000000e-03  1.8205300000e-02  6.5354000000e-03 -4.1208000000e-03  4.0571000000e-03 -1.6022600000e-02  1.2875200000e-02  6.9700000000e-04  6.6186000000e-03 -2.5654000000e-03 -3.1823000000e-03  1.9541000000e-03  4.6548000000e-03 -2.2806000000e-03  4.4087000000e-03  1.7134000000e-03 -2.2082000000e-03 -3.6156000000e-03 -5.8819000000e-03  3.0701000000e-03 -7.9421000000e-03  5.2141000000e-03 -4.0215000000e-03 -1.8308000000e-03  4.6870000000e-03 -3.3133000000e-03  1.1813000000e-02 -1.5668800000e-02  6.9874000000e-03  2.5427000000e-03 -9.2176000000e-03  1.4487700000e-02 -1.6193000000e-03  4.5827000000e-03  5.2721000000e-03 -2.5816000000e-03  2.3594000000e-03 -9.5386000000e-03  2.6365000000e-03  5.6145000000e-03 -4.8256000000e-03 -3.4161000000e-03  7.2457000000e-03  5.4776000000e-03 -2.0045000000e-03 -1.6331800000e-02  2.9294000000e-03  5.0921000000e-03 -6.3960000000e-03  1.0503000000e-03  4.5573000000e-03  1.1050700000e-02 -1.3069000000e-02 -9.6989000000e-03 -2.6592000000e-03  3.3707000000e-03  4.8818000000e-03 -6.3329000000e-03 -9.1231000000e-03  1.3080000000e-03  8.1478000000e-03 -3.0762000000e-03 -4.0515000000e-03 -5.6680000000e-04  1.0773000000e-02  8.6030000000e-04  9.5050000000e-04 -5.3177000000e-03  2.8040000000e-04  8.8486000000e-03  8.6735000000e-03 -4.9136000000e-03 -1.0459200000e-02  1.9734000000e-03 -1.4627500000e-02  4.8730000000e-04  5.8552000000e-03 -6.0174000000e-03  6.5000000000e-04  2.1198000000e-03  2.8919800000e-02 -2.2405000000e-03 -8.6852000000e-03

JOB 184
COORDS  -5.4953000000e-01  2.7662800000e+00 -3.6823200000e+00 -9.5847000000e-01  2.3618600000e+00 -2.9171700000e+00 -8.9827000000e-01  2.2770700000e+00 -4.4274900000e+00  2.8482000000e-01 -1.0742500000e+00  4.4244700000e+00  4.6482000000e-01 -1.1548800000e+00  5.3611300000e+00 -6.2511000000e-01 -1.3558600000e+00  4.3298400000e+00  2.2464600000e+00 -1.2224100000e+00 -4.2270000000e-02  2.8115400000e+00 -1.9285800000e+00 -3.5572000000e-01  1.5197300000e+00 -1.2022700000e+00 -6.6492000000e-01  2.2918000000e-01  1.8457400000e+00  6.1523000000e-01  9.3647000000e-01  1.6588700000e+00 -2.0600000000e-03  4.6135000000e-01  2.6922000000e+00  9.9713000000e-01 -1.3047300000e+00  1.0805300000e+00 -1.4572500000e+00 -1.8800100000e+00  3.4551000000e-01 -1.2450400000e+00 -9.8900000000e-01  1.3909700000e+00 -6.0861000000e-01 -1.9738800000e+00 -2.3176600000e+00  3.8093900000e+00 -1.3499200000e+00 -2.7520700000e+00  3.2278500000e+00 -2.4344200000e+00 -1.6959400000e+00  3.2458200000e+00 -3.1368000000e+00 -7.7526000000e-01 -7.1086000000e-01 -2.7750200000e+00 -8.5449000000e-01  1.7178000000e-01 -4.0653000000e+00 -9.8456000000e-01 -6.0934000000e-01  7.0085000000e-01 -6.2344000000e-01 -2.3354500000e+00 -1.1270000000e-02 -8.6310000000e-02 -1.9881700000e+00  1.2869700000e+00  1.7100000000e-03 -2.7619400000e+00  6.0737000000e-01 -2.2157500000e+00  1.8261200000e+00  9.2094000000e-01 -1.6436000000e+00  2.5265000000e+00  1.2301100000e+00 -2.0835500000e+00  1.1113100000e+00  2.8118700000e+00  1.4489400000e+00 -6.4809000000e-01  2.7099600000e+00  5.1477000000e-01 -4.6593000000e-01  3.0782600000e+00  1.4866500000e+00 -1.5667000000e+00 -1.6691600000e+00 -5.8141000000e-01  1.7063700000e+00 -9.3559000000e-01 -1.1811200000e+00  1.5705000000e+00 -1.2599000000e+00  2.7625000000e-01  1.8210700000e+00  1.7303800000e+00  1.6546000000e+00 -3.4456800000e+00  2.2568400000e+00  2.0310700000e+00 -4.1509000000e+00  8.8661000000e-01  2.1018200000e+00 -3.5110900000e+00
ENERGY -9.171966397376e+02
EMD0 -3.702936090000e+02
FORCES   3.9366000000e-03 -1.5549000000e-03  8.6095000000e-03  9.0746000000e-03  5.0345000000e-03 -1.5342800000e-02  3.8729000000e-03 -2.0822000000e-03  4.2619000000e-03 -1.4238700000e-02 -8.0081000000e-03 -3.5675000000e-03 -6.3465000000e-03 -1.3101000000e-03  1.0250000000e-04  1.4588400000e-02  4.8511000000e-03  1.6744000000e-03 -7.3042000000e-03  7.5796000000e-03 -5.6356000000e-03 -6.6542000000e-03 -4.0260000000e-04  5.2090000000e-04  1.1948900000e-02 -6.4605000000e-03  2.2058200000e-02  9.5979000000e-03 -1.1804000000e-03 -5.1485000000e-03 -1.7810300000e-02  1.9478000000e-03  5.7599000000e-03  1.9768000000e-03 -9.4480000000e-04 -2.6290000000e-03 -8.8125000000e-03 -5.0490000000e-04  9.6479000000e-03  2.0962100000e-02  4.7071000000e-03  7.3722000000e-03 -5.5471000000e-03 -1.2067700000e-02 -9.9664000000e-03  2.4255000000e-03  3.2446000000e-03 -4.8319000000e-03 -1.9934000000e-03  8.8231000000e-03  3.6858000000e-03  2.6521000000e-03 -5.4807000000e-03  3.5156000000e-03  5.4452000000e-03  5.1961000000e-03 -2.7530000000e-04 -1.0131500000e-02 -1.1119000000e-03 -1.4322400000e-02  2.3782000000e-03 -2.2374000000e-03  8.1663000000e-03 -8.0617000000e-03  1.7581100000e-02 -1.2528100000e-02  1.2129200000e-02 -8.2860000000e-03  9.5650000000e-04 -5.6945000000e-03 -6.4247000000e-03  8.5373000000e-03  1.5873600000e-02  2.6300000000e-05 -4.2320000000e-03 -2.3749000000e-03 -1.8840000000e-04 -1.5273000000e-02 -5.8069000000e-03 -1.9700000000e-03  5.7075000000e-03  3.7161000000e-03 -4.8423000000e-03 -3.9150000000e-04 -3.9503000000e-03  1.1884400000e-02 -9.2862000000e-03  5.5547000000e-03 -7.4828000000e-03  5.4334000000e-03  1.3851200000e-02 -6.4184000000e-03  5.9721000000e-03 -1.5399000000e-02  1.3038600000e-02  1.5518000000e-03 -6.7110000000e-04 -6.5588000000e-03  3.2850000000e-04 -3.0967100000e-02  1.1327400000e-02  2.7864000000e-03 -4.5726000000e-03  2.7883000000e-03  1.1440000000e-04  1.6352700000e-02 -1.2512300000e-02 -3.3326000000e-03

JOB 185
COORDS  -1.5352400000e+00  3.9494100000e+00 -3.1986500000e+00 -1.2650400000e+00  3.0625900000e+00 -2.9604100000e+00 -2.1979800000e+00  3.8240600000e+00 -3.8778300000e+00  5.2892000000e-01 -1.1147500000e+00  3.5450700000e+00  9.1652000000e-01 -2.4359000000e-01  3.6292200000e+00 -1.4573000000e-01 -1.1438000000e+00  4.2234700000e+00  1.6711500000e+00 -1.4534700000e+00 -1.0991100000e+00  2.4729400000e+00 -1.6459000000e+00 -1.5852600000e+00  1.0997000000e+00 -2.2014300000e+00 -1.2730100000e+00 -7.1475000000e-01  1.4024400000e+00  5.1505000000e-01 -6.6950000000e-01  5.1741000000e-01  8.7684000000e-01  1.8822000000e-01  1.6098200000e+00  2.7448000000e-01 -1.3242000000e+00  1.4316000000e+00 -2.1380000000e+00 -1.8712100000e+00  6.6666000000e-01 -1.9594700000e+00 -7.4164000000e-01  1.4920100000e+00 -1.3808900000e+00 -4.8730000000e-02  1.7838100000e+00  3.2308400000e+00 -2.9510000000e-01  2.0148300000e+00  2.3352000000e+00 -4.5990000000e-01  2.4563200000e+00  3.7738900000e+00 -2.1932500000e+00 -1.3359700000e+00 -1.2521300000e+00 -1.7909200000e+00 -1.3682300000e+00 -3.8419000000e-01 -3.1250600000e+00 -1.4835800000e+00 -1.0903400000e+00 -1.3405000000e-01 -3.3533900000e+00 -2.0174400000e+00 -1.2200000000e-01 -3.1037200000e+00 -2.9414300000e+00 -9.9806000000e-01 -3.0826300000e+00 -1.7069400000e+00  2.5538000000e-01 -4.0600800000e+00  6.7492000000e-01  7.6153000000e-01 -4.5858500000e+00  1.2942800000e+00  8.8226000000e-01 -3.8259300000e+00 -9.5000000000e-03  3.0313200000e+00  9.1221000000e-01  5.8437000000e-01  2.4096500000e+00  2.4409000000e-01  2.9563000000e-01  2.5609900000e+00  1.7392100000e+00  4.7898000000e-01 -7.3309000000e-01 -1.4498900000e+00  1.3479900000e+00 -4.5492000000e-01 -2.3128500000e+00  1.0411700000e+00 -3.6788000000e-01 -1.3795600000e+00  2.2299800000e+00  1.2837800000e+00  3.3657900000e+00 -2.1360000000e-01  6.5834000000e-01  3.9434200000e+00  2.2390000000e-01  1.1836300000e+00  3.5647600000e+00 -1.1445200000e+00
ENERGY -9.171486802198e+02
EMD0 -2.711530110000e+02
FORCES  -2.1101000000e-03 -1.0573000000e-02  6.0964000000e-03  3.3494000000e-03  1.1757800000e-02 -6.8929000000e-03  1.3057000000e-03 -2.9074000000e-03  4.9410000000e-04  1.2426000000e-03  4.4518000000e-03 -1.4018600000e-02 -2.1315000000e-03 -8.6850000000e-03  6.5096000000e-03  1.9760000000e-04  1.0171000000e-03 -4.9530000000e-03 -1.1404300000e-02 -4.6731000000e-03 -4.4910000000e-03 -4.5891000000e-03 -5.0299000000e-03  6.5900000000e-05  1.4009500000e-02  2.5315000000e-03  4.4951000000e-03 -6.6969000000e-03 -6.3962000000e-03 -7.4367000000e-03  5.8142000000e-03  1.8367800000e-02 -5.6260000000e-04 -9.7096000000e-03 -7.7217000000e-03  1.2186000000e-03 -5.5960000000e-03 -3.3555000000e-03  1.1937200000e-02  1.4823000000e-03  6.5519000000e-03  1.1240000000e-04  6.5891000000e-03  2.0361000000e-03 -4.4225000000e-03 -1.2883000000e-03 -3.2263000000e-03 -9.8608000000e-03  3.5878000000e-03  5.2299000000e-03  1.2357400000e-02 -1.2968000000e-03  9.0060000000e-04 -5.7829000000e-03  3.8382000000e-03  5.4655000000e-03  5.1408000000e-03 -8.5312000000e-03 -7.1351000000e-03 -1.2757200000e-02  3.9072000000e-03 -1.5200000000e-05  2.6654000000e-03 -5.6033000000e-03  2.5374000000e-03  2.3205000000e-03 -1.8510000000e-03 -4.7900000000e-04  2.8307000000e-03  7.5230000000e-03 -4.4872000000e-03 -4.1633000000e-03 -2.7496000000e-03 -1.4745000000e-03 -1.7274000000e-03  2.7722000000e-03  4.9020000000e-04 -5.7140000000e-03  1.5052000000e-03  1.0674000000e-03  7.3605000000e-03  3.3723000000e-03  7.9600000000e-05 -1.0910000000e-03  6.4300000000e-04  1.0847000000e-02  3.4859000000e-03 -1.9669000000e-03 -9.7233000000e-03  3.9890000000e-04  1.9889500000e-02 -4.4264000000e-03  2.4903300000e-02 -5.8742000000e-03  1.0250800000e-02  1.8911000000e-03 -1.0698200000e-02 -6.8133000000e-03 -1.1229100000e-02  4.3718000000e-03  4.7366000000e-03 -1.7900000000e-05  1.6180000000e-04 -1.9979000000e-03 -4.6619000000e-03 -3.4654000000e-03  8.0080000000e-04  5.4988000000e-03

JOB 186
COORDS  -7.2514000000e-01  2.0129800000e+00 -2.9130400000e+00 -1.2123500000e+00  1.3280200000e+00 -2.4551300000e+00 -1.1706300000e+00  2.8255400000e+00 -2.6732300000e+00 -1.5833000000e+00  1.9714000000e-01  2.6624300000e+00 -9.6451000000e-01  3.2137000000e-01  3.3820800000e+00 -1.3436400000e+00  8.6657000000e-01  2.0216000000e+00  3.1720100000e+00 -3.3974000000e+00 -1.7772300000e+00  4.0115500000e+00 -3.0159500000e+00 -1.5205000000e+00  3.1188800000e+00 -3.2474200000e+00 -2.7211100000e+00 -3.2272200000e+00  2.3523100000e+00  1.4280200000e+00 -4.1539500000e+00  2.5916500000e+00  1.4173700000e+00 -3.0682100000e+00  2.0480000000e+00  2.3215200000e+00 -7.9193000000e-01  1.5314000000e+00  3.4839000000e-01 -1.3141900000e+00  9.2424000000e-01 -1.7584000000e-01 -1.4276100000e+00  2.1578900000e+00  6.9428000000e-01  4.2036000000e-01  3.4771000000e-01  4.9387500000e+00  8.5807000000e-01 -1.8399000000e-01  4.2739600000e+00  1.1346600000e+00  7.5197000000e-01  5.4312700000e+00 -2.3566800000e+00  1.0242000000e-01 -1.7516100000e+00 -2.3436500000e+00 -5.3810000000e-01 -1.0404200000e+00 -2.2446600000e+00 -4.1913000000e-01 -2.5463800000e+00  9.5330000000e-02 -2.1723800000e+00 -2.2621300000e+00  1.3557000000e-01 -3.0346700000e+00 -1.8485200000e+00  2.0490000000e-01 -1.5542600000e+00 -1.5395300000e+00  1.6822000000e+00 -1.1361400000e+00  2.2253200000e+00  1.5374100000e+00 -3.7914000000e-01  1.6576700000e+00  2.5931100000e+00 -1.3840100000e+00  2.0671100000e+00  3.1867700000e+00 -2.0081000000e-01 -2.1132400000e+00  2.8078900000e+00  2.3887000000e-01 -1.3520800000e+00  2.5606600000e+00 -8.9252000000e-01 -2.3271400000e+00 -1.3834500000e+00 -1.5906300000e+00  4.0870000000e-01 -1.8129100000e+00 -2.4375600000e+00  5.2912000000e-01 -1.3784200000e+00 -1.1978300000e+00  1.2815800000e+00  1.5995600000e+00  1.9697900000e+00 -1.3121900000e+00  1.2645200000e+00  2.1002200000e+00 -2.1993000000e+00  8.1596000000e-01  1.8618200000e+00 -7.7317000000e-01
ENERGY -9.171357075299e+02
EMD0 -2.492881540000e+02
FORCES  -3.7877000000e-03 -7.8285000000e-03  4.5842000000e-03  3.2249000000e-03  6.0665000000e-03 -5.0371000000e-03 -6.6550000000e-04 -3.2446000000e-03  1.8367000000e-03  3.7250000000e-03  2.3379000000e-03 -1.9550000000e-03 -3.8330000000e-04  2.2958000000e-03 -1.2319200000e-02 -6.7868000000e-03  9.5780000000e-04  1.0024100000e-02 -1.7040000000e-04  1.7740000000e-04  7.6740000000e-04 -1.5517000000e-03 -2.3382000000e-03 -3.7885000000e-03  3.4999000000e-03  1.0186000000e-03  3.3016000000e-03  5.7880000000e-04 -1.8483000000e-03 -4.9478000000e-03  1.0064000000e-03 -2.9687000000e-03  7.3581000000e-03 -1.6079000000e-03  5.9647000000e-03 -5.3964000000e-03 -7.4668000000e-03  2.5103000000e-03 -6.1080000000e-03  1.2657000000e-03  2.0154000000e-03  7.3893000000e-03  6.8472000000e-03 -1.2389200000e-02  6.9468000000e-03 -6.8110000000e-04 -2.4170000000e-04  5.0736000000e-03 -4.7522000000e-03  1.0064900000e-02  5.7818000000e-03  2.6784000000e-03 -4.5362000000e-03 -3.6235000000e-03  1.3771000000e-03 -2.2383000000e-03  3.9918000000e-03 -2.8408000000e-03  8.9322000000e-03 -1.0832600000e-02 -3.4510000000e-04  2.7769000000e-03  4.9066000000e-03  8.3210000000e-04 -1.9157000000e-03  2.6956000000e-03 -2.5135000000e-03  2.8958000000e-03  1.7150000000e-04  2.5168000000e-03 -2.8257000000e-03 -4.0256000000e-03 -7.7870000000e-04 -6.1671000000e-03 -4.5219000000e-03  5.4954000000e-03 -2.6372000000e-03  3.5895000000e-03 -2.2396000000e-03  4.9940000000e-03 -1.8174000000e-03 -5.9752000000e-03  1.2103200000e-02 -1.2068000000e-03  2.8334000000e-03 -1.5055200000e-02  2.4432000000e-03  2.4020000000e-03  3.5354000000e-03  3.6522000000e-03  5.7791000000e-03  3.3675000000e-03  1.0122300000e-02 -7.7790000000e-04  3.6707000000e-03  3.4504000000e-03 -2.6368000000e-03 -1.1144700000e-02 -1.4057400000e-02 -8.4561000000e-03  3.3821000000e-03 -8.5584000000e-03  2.7453000000e-03  2.1306000000e-03  5.0823000000e-03  7.6097000000e-03 -3.8185000000e-03 -4.9734000000e-03

JOB 187
COORDS   3.7637000000e-01 -1.2014700000e+00 -3.5723700000e+00 -1.8272000000e-01 -4.3329000000e-01 -3.4559700000e+00  4.3695000000e-01 -1.3126500000e+00 -4.5211600000e+00 -9.8286000000e-01 -1.1737800000e+00  1.5886400000e+00 -1.7904000000e-01 -1.1929400000e+00  2.1080100000e+00 -6.8412000000e-01 -1.2388000000e+00  6.8158000000e-01  1.5901500000e+00 -2.3250600000e+00 -9.2035000000e-01  1.8296900000e+00 -1.8976500000e+00 -9.8050000000e-02  1.9134600000e+00 -1.7345800000e+00 -1.6008100000e+00 -2.5134600000e+00  1.0592200000e+00  1.6918600000e+00 -3.3269600000e+00  5.8828000000e-01  1.5111300000e+00 -1.8430300000e+00  3.7676000000e-01  1.7235400000e+00 -1.5575400000e+00  2.7101100000e+00 -5.2231000000e-01 -1.8030900000e+00  2.2354300000e+00 -1.3164300000e+00 -2.0831300000e+00  2.3084800000e+00  1.6955000000e-01  1.7938100000e+00 -8.4380000000e-02  2.0658200000e+00  2.3491300000e+00  4.3964000000e-01  2.6431100000e+00  1.5283000000e+00  5.2114000000e-01  1.3736600000e+00 -1.7560300000e+00  6.2570000000e-01 -2.5030000000e+00 -1.3479100000e+00  3.0260000000e-02 -1.8744100000e+00 -2.6476700000e+00  2.9278000000e-01 -2.6049000000e+00 -1.1887400000e+00 -1.8797200000e+00 -1.1588300000e+00 -3.0769000000e-01 -2.1340600000e+00 -1.4332500000e+00 -1.5039800000e+00 -2.6231500000e+00 -6.4485000000e-01  3.8442700000e+00  1.4195300000e+00  3.5914500000e+00  4.2165600000e+00  2.0271600000e+00  2.9523800000e+00  4.5371300000e+00  7.7683000000e-01  3.7434500000e+00  1.8547600000e+00  7.4422000000e-01 -8.6450000000e-01  1.4567500000e+00  1.6063500000e+00 -7.4385000000e-01  1.7620600000e+00  5.6595000000e-01 -1.8003700000e+00 -2.5446600000e+00 -3.4302700000e+00  8.4967000000e-01 -2.1263900000e+00 -2.9325800000e+00  1.5522300000e+00 -3.3794000000e+00 -2.9849700000e+00  7.0422000000e-01  1.0920900000e+00  3.4767600000e+00 -1.7772000000e-01  1.1074800000e+00  4.3841400000e+00  1.2665000000e-01  1.6173000000e-01  3.2621300000e+00 -2.4556000000e-01
ENERGY -9.171723276820e+02
EMD0 -3.126267680000e+02
FORCES  -7.1527000000e-03 -3.2874000000e-03  4.3220000000e-04  8.8846000000e-03 -4.9045000000e-03 -2.0098000000e-03 -2.9693000000e-03  5.0020000000e-03  1.3684000000e-03  7.3100000000e-05  2.7286000000e-03 -8.5014000000e-03 -7.9457000000e-03 -5.1755000000e-03 -8.0712000000e-03  2.6179000000e-03  7.3740000000e-04  1.5509300000e-02  1.9567000000e-03  4.3770000000e-04  1.1814000000e-03 -1.5724000000e-03 -2.4514000000e-03 -5.8638000000e-03 -1.8750000000e-04  1.1779000000e-03  5.2458000000e-03  1.2179300000e-02 -1.3559300000e-02  7.6506000000e-03  3.0380000000e-03 -9.7010000000e-04 -2.6116000000e-03 -1.1305000000e-02  1.0626400000e-02 -1.9628000000e-03 -1.6595000000e-03 -6.3128000000e-03  1.7274000000e-03 -4.5032000000e-03  3.3747000000e-03  1.1114900000e-02 -2.8260000000e-04  4.3731000000e-03 -1.6455200000e-02  9.0001000000e-03  4.5585000000e-03  3.0911000000e-03 -7.4419000000e-03 -1.5801000000e-03 -1.0162900000e-02 -1.1710000000e-04  1.3015000000e-03  8.1094000000e-03 -5.7490000000e-04 -8.1535000000e-03  2.5060000000e-03  1.7950000000e-04  1.1004600000e-02 -1.0233100000e-02  8.7050000000e-04  2.5536000000e-03  3.4966000000e-03  1.4834000000e-03 -1.1015900000e-02 -1.8499000000e-03 -1.3111600000e-02  1.2576000000e-03  5.8327000000e-03  1.1923300000e-02  8.6989000000e-03 -6.2397000000e-03 -1.0970000000e-04  2.3947000000e-03  4.2394000000e-03  2.0382000000e-03 -5.1896000000e-03  1.8455000000e-03 -3.1800000000e-05  4.0878000000e-03 -3.9324000000e-03  4.1641000000e-03  6.4288000000e-03  1.9253000000e-03 -4.0394000000e-03 -1.3357800000e-02 -4.6988000000e-03 -1.4422000000e-03  2.7768000000e-03  3.5324000000e-03  3.2905000000e-03  6.9030000000e-04  5.9707000000e-03 -8.3444000000e-03 -4.9245000000e-03 -4.2962000000e-03  4.2487000000e-03  2.5135000000e-03  1.1586000000e-03 -6.7393000000e-03 -1.2192000000e-03 -1.6979000000e-03 -6.3640000000e-03 -3.7270000000e-04 -7.8500000000e-05  1.9946100000e-02  5.7501000000e-03  2.7276000000e-03

JOB 188
COORDS  -6.3136000000e-01 -1.4676700000e+00 -3.2222000000e+00 -1.5544000000e+00 -1.3165800000e+00 -3.0187000000e+00 -5.9604000000e-01 -1.4840700000e+00 -4.1786100000e+00 -2.7183000000e-01  7.9107000000e-01  2.6249800000e+00  5.2193000000e-01  3.9773000000e-01  2.9875500000e+00 -6.1641000000e-01  1.2816000000e-01  2.0266200000e+00  1.2605500000e+00 -6.1817000000e-01 -1.4137300000e+00  9.7274000000e-01  2.9458000000e-01 -1.3970300000e+00  6.8302000000e-01 -1.0403100000e+00 -2.0497300000e+00 -1.9992100000e+00  2.7498300000e+00  1.6896800000e+00 -2.6039900000e+00  2.7038900000e+00  2.4301900000e+00 -1.2141300000e+00  2.2934500000e+00  1.9923300000e+00 -2.0355800000e+00  1.0701400000e+00 -4.4720000000e-01 -1.5587700000e+00  3.4325000000e-01 -4.6550000000e-02 -2.1848800000e+00  1.6844000000e+00  2.7157000000e-01  3.7403300000e+00 -3.3999000000e-01  1.4790600000e+00  3.6673800000e+00 -8.5255000000e-01  6.7396000000e-01  3.3140200000e+00  4.9198000000e-01  1.2733500000e+00 -3.0736500000e+00 -2.5114000000e-01 -2.4009300000e+00 -3.7922300000e+00 -5.8156000000e-01 -1.8617600000e+00 -2.7440200000e+00  5.0911000000e-01 -1.9217700000e+00 -5.9912000000e-01 -1.0639500000e+00  5.7948000000e-01  2.5320000000e-01 -1.1797100000e+00  1.5951000000e-01 -1.1588700000e+00 -1.7254000000e+00  1.7279000000e-01  1.8021400000e+00 -9.3020000000e-01  3.3923800000e+00  1.7713800000e+00 -1.8838400000e+00  3.4688600000e+00  2.5997800000e+00 -7.5510000000e-01  2.8930300000e+00  2.5207100000e+00  1.8708800000e+00  4.8133000000e-01  2.1540700000e+00  1.9902400000e+00 -3.9477000000e-01  1.7948300000e+00  2.0662400000e+00  1.0739300000e+00 -1.0185300000e+00 -3.8410000000e+00 -9.0841000000e-01 -1.5860000000e-01 -4.2614100000e+00 -9.0903000000e-01 -1.1122600000e+00 -3.4850000000e+00 -1.7919900000e+00  4.1212000000e-01  2.1188100000e+00 -1.7095400000e+00  3.9090000000e-01  2.2231700000e+00 -2.6608000000e+00 -5.0661000000e-01  2.0248200000e+00 -1.4578700000e+00
ENERGY -9.172007061159e+02
EMD0 -3.587832320000e+02
FORCES  -3.1820000000e-03  1.0035400000e-02  6.1060000000e-03  1.4979300000e-02 -1.1867400000e-02 -1.0043600000e-02 -5.8943000000e-03  5.5420000000e-04  1.9717000000e-03  6.8564000000e-03 -1.6971500000e-02  5.2967000000e-03 -7.3294000000e-03  8.4245000000e-03 -8.6633000000e-03 -3.1360000000e-04  9.6843000000e-03  3.8223000000e-03 -6.8706000000e-03  7.6867000000e-03 -1.1561900000e-02 -1.0700000000e-03 -1.0700300000e-02  5.1330000000e-04  4.4478000000e-03  4.5547000000e-03  1.0243200000e-02  8.8304000000e-03 -2.0195000000e-03  4.7542000000e-03  2.6045000000e-03 -1.7015000000e-03  4.8000000000e-06 -1.4803900000e-02  6.2748000000e-03 -9.3317000000e-03 -2.7474000000e-03 -7.2738000000e-03  1.1271200000e-02 -1.0800500000e-02  1.3601900000e-02 -8.5820000000e-04  7.4977000000e-03 -1.7871000000e-02 -9.5121000000e-03 -2.4956000000e-03  1.3278800000e-02 -9.0653000000e-03  1.3900000000e-05  1.6664000000e-03  1.3428000000e-03  3.1410000000e-04 -1.3230900000e-02  1.0083500000e-02  4.7429000000e-03  1.6038400000e-02  1.4732200000e-02  1.5031000000e-03  1.7359000000e-03  1.3311000000e-03 -6.0140000000e-03 -7.3849000000e-03 -9.9656000000e-03  1.5636900000e-02 -9.1100000000e-05 -4.4694000000e-03 -1.4031900000e-02 -6.9677000000e-03  8.0139000000e-03  2.0391000000e-03  1.1136100000e-02 -2.5513000000e-03  5.9658000000e-03  1.9909000000e-03 -6.5070000000e-03  5.9241000000e-03  3.3110000000e-04 -2.5641000000e-03 -1.3618900000e-02 -4.0969000000e-03  1.1293300000e-02  2.6746000000e-03 -2.1883000000e-03 -5.5263000000e-03  1.2477000000e-03  4.1600000000e-05  7.0889000000e-03  3.8866000000e-03 -2.2814000000e-03 -3.7371000000e-03 -3.1340000000e-04 -4.6739000000e-03  9.3000000000e-05 -1.9748000000e-03  2.0241000000e-03 -4.3740000000e-03  1.7294000000e-03 -3.3257000000e-03  5.4181000000e-03 -5.8197000000e-03  2.5607000000e-03  5.1885000000e-03 -5.7130000000e-03 -2.2761000000e-03  2.8959000000e-03  1.2098600000e-02  3.3012000000e-03 -1.2733700000e-02

JOB 189
COORDS   8.5070000000e-02 -1.8647200000e+00 -2.6321900000e+00 -3.1264000000e-01 -9.9659000000e-01 -2.6986600000e+00  1.0049800000e+00 -1.7251100000e+00 -2.8569100000e+00 -5.3996000000e-01 -3.9332000000e-01  3.7819900000e+00  3.8554000000e-01 -5.7301000000e-01  3.9474700000e+00 -8.2902000000e-01 -1.1163500000e+00  3.2253100000e+00  1.3055700000e+00 -6.6137000000e-01  2.3411000000e-01  1.4381800000e+00  2.7924000000e-01  3.5201000000e-01  1.0618800000e+00 -7.5582000000e-01 -6.8672000000e-01 -7.0089000000e-01  2.1483500000e+00  2.5330800000e+00 -1.0685300000e+00  2.8358200000e+00  3.0884600000e+00 -6.1860000000e-01  1.3905200000e+00  3.1120100000e+00 -2.0278200000e+00  9.6018000000e-01  4.9880000000e-02 -1.7984700000e+00  1.2311000000e-01  4.5354000000e-01 -1.6652100000e+00  1.6193500000e+00  6.4168000000e-01  9.2565000000e-01  1.6742600000e+00 -1.6670100000e+00  1.2794300000e+00  2.3350000000e+00 -1.0716100000e+00  2.3400000000e-02  1.9521100000e+00 -1.8250600000e+00 -1.6022100000e+00  8.3171000000e-01 -2.6220300000e+00 -2.0708400000e+00  1.5603600000e+00 -3.0290800000e+00 -2.0004000000e+00  7.4415000000e-01 -1.7560000000e+00 -1.1676200000e+00 -1.4551100000e+00  1.0055000000e+00 -2.6185000000e-01 -1.3562500000e+00  7.1217000000e-01 -1.5728300000e+00 -2.0195800000e+00  3.4716000000e-01  2.0352300000e+00 -8.5881000000e-01  3.0227900000e+00  1.5090900000e+00 -8.1416000000e-01  2.2244100000e+00  2.9377600000e+00 -9.2924000000e-01  2.7117900000e+00  1.7726000000e+00  1.8131000000e+00  1.3366700000e+00  9.1364000000e-01  1.8939800000e+00  1.7512400000e+00  2.2336000000e+00  1.1613800000e+00  1.8648600000e+00 -2.3434400000e+00 -2.8932800000e+00 -1.3202300000e+00 -3.2616900000e+00 -3.1296400000e+00 -1.4513400000e+00 -1.9042900000e+00 -3.1841800000e+00 -2.1194600000e+00  2.2688600000e+00  6.0498000000e-01 -3.7275300000e+00  1.7043300000e+00  7.4519000000e-01 -2.9673500000e+00  2.7110000000e+00  1.4441500000e+00 -3.8561600000e+00
ENERGY -9.171835839300e+02
EMD0 -3.379062500000e+02
FORCES  -5.1218000000e-03 -2.4266000000e-03 -8.8771000000e-03  1.1429900000e-02 -7.5783000000e-03  4.3113000000e-03 -4.5233000000e-03  4.5517000000e-03  6.5961000000e-03 -9.0580000000e-04 -7.5270000000e-03 -5.9160000000e-04 -7.6655000000e-03  5.2710000000e-04 -7.1621000000e-03  9.5617000000e-03  9.6960000000e-04  8.1068000000e-03 -1.9456000000e-03  1.0882600000e-02 -1.4046000000e-03  9.4300000000e-04 -1.6573500000e-02  2.3781000000e-03 -1.3700000000e-05  4.4200000000e-03  7.0229000000e-03 -8.2380000000e-04 -8.6433000000e-03  2.9810000000e-03 -3.5540000000e-04 -5.6504000000e-03  3.7576000000e-03  5.6857000000e-03  2.3710000000e-02 -5.5915000000e-03  4.8827000000e-03 -1.1916600000e-02  7.4482000000e-03 -1.9717000000e-03  1.6847500000e-02 -7.3223000000e-03 -5.3880000000e-04 -5.0210000000e-03 -4.3456000000e-03  2.9560000000e-04 -8.5490000000e-03 -7.4677000000e-03 -9.6603000000e-03  2.6267000000e-03 -5.7341000000e-03  1.0363200000e-02  1.1761600000e-02  6.3463000000e-03 -4.7869000000e-03 -5.0197000000e-03  1.0462800000e-02  7.2390000000e-04  2.1732000000e-03  7.8491000000e-03  6.3460000000e-04  1.0150000000e-03 -1.8973500000e-02  7.7690000000e-03 -3.7970000000e-04 -7.0757000000e-03 -1.2518600000e-02 -4.7237000000e-03 -7.7330000000e-04  9.1318000000e-03  9.7795000000e-03  6.6317000000e-03 -3.1433000000e-03 -8.4062000000e-03  4.5660000000e-04  3.9852000000e-03  8.8853000000e-03  9.5713000000e-03 -3.8543000000e-03  5.1851000000e-03 -3.9601000000e-03 -7.6231000000e-03  9.4250000000e-03  9.0183000000e-03  1.4240300000e-02 -1.2754400000e-02 -4.9687000000e-03 -8.5481000000e-03 -5.1605000000e-03 -7.2408000000e-03  5.9572000000e-03  2.5403000000e-03 -6.0710000000e-04  3.7435000000e-03 -1.6036000000e-03 -5.0395000000e-03 -1.2722000000e-02 -4.8421000000e-03  6.4620000000e-04 -5.6839000000e-03  7.9267000000e-03  8.1151000000e-03  4.1093000000e-03 -6.7735000000e-03 -5.9476000000e-03 -1.0505000000e-03  3.2210000000e-04  1.3834000000e-03

JOB 190
COORDS   5.0569000000e-01 -1.9278100000e+00 -3.5102400000e+00  1.3946000000e-01 -2.0389600000e+00 -4.3875900000e+00  6.0409000000e-01 -9.8104000000e-01 -3.4094300000e+00 -7.9502000000e-01 -5.3373000000e-01  2.4837000000e+00  6.5520000000e-02 -9.2055000000e-01  2.3222300000e+00 -1.1691500000e+00 -4.0814000000e-01  1.6116400000e+00  3.6250200000e+00 -9.0857000000e-01  7.4717000000e-01  2.8443700000e+00 -3.7994000000e-01  5.8172000000e-01  3.4298100000e+00 -1.7563500000e+00  3.4792000000e-01 -4.5884000000e-01  2.1285900000e+00  3.2179500000e+00 -8.3492000000e-01  2.4824500000e+00  4.0239100000e+00 -6.1034000000e-01  1.1852700000e+00  3.2763900000e+00 -1.8375600000e+00  2.3834200000e+00  2.3033000000e-01 -2.1269400000e+00  2.4863600000e+00  1.1369100000e+00 -8.8559000000e-01  2.4748900000e+00  2.7043000000e-01  8.4521000000e-01 -2.5699000000e-01 -3.9526000000e-01  6.7240000000e-01  2.6839000000e-01  3.8598000000e-01  3.6280000000e-02 -7.4850000000e-01 -5.3770000000e-01 -2.4513900000e+00  1.2970900000e+00 -2.1513900000e+00 -3.4068400000e+00  1.2774300000e+00 -2.0968900000e+00 -2.1829000000e+00  1.8865000000e+00 -1.4465900000e+00 -1.7624100000e+00 -6.5786000000e-01 -1.1449000000e-01 -2.0638500000e+00 -7.5470000000e-02 -8.1176000000e-01 -1.7532800000e+00 -1.5271600000e+00 -5.1507000000e-01  2.3774700000e+00 -1.4916800000e+00  3.1741300000e+00  2.8660800000e+00 -1.5210300000e+00  2.3515500000e+00  2.9400800000e+00 -1.9426600000e+00  3.8036700000e+00  8.0660000000e-01  2.4232200000e+00  7.6716000000e-01  4.6229000000e-01  2.3023300000e+00  1.6520800000e+00  1.6387200000e+00  2.8790900000e+00  8.9361000000e-01 -1.2871000000e+00 -3.0267100000e+00 -1.4215500000e+00 -1.4656900000e+00 -3.9627600000e+00 -1.5118300000e+00 -6.0681000000e-01 -2.8484600000e+00 -2.0709100000e+00  5.0089000000e-01  5.9332000000e-01 -3.0660000000e+00  7.4248000000e-01  6.1834000000e-01 -2.1401200000e+00 -4.0963000000e-01  8.8803000000e-01 -3.0844800000e+00
ENERGY -9.171843865370e+02
EMD0 -3.428076640000e+02
FORCES   6.6426000000e-03  3.1145600000e-02  3.3679000000e-03 -1.8180000000e-04  4.2696000000e-03  1.3421000000e-03 -2.6328000000e-03 -1.9832500000e-02 -6.2952000000e-03 -8.8824000000e-03 -9.5197000000e-03 -5.7804000000e-03 -6.5992000000e-03  6.6174000000e-03 -1.0302700000e-02  1.5743000000e-02  2.5540000000e-03  1.1369000000e-02  1.2367000000e-03  6.9357000000e-03 -7.7089000000e-03  3.5905000000e-03 -4.6239000000e-03  7.9688000000e-03 -2.4667000000e-03  1.0494000000e-03  8.5995000000e-03  4.3601000000e-03 -8.0026000000e-03 -3.0539000000e-03 -3.1624000000e-03 -8.5054000000e-03  4.9070000000e-04 -1.6740000000e-04  2.1877500000e-02  8.1851000000e-03  6.4412000000e-03 -1.5403000000e-03 -7.8120000000e-04  5.0391000000e-03  1.5582000000e-03 -8.9980000000e-04 -1.2183900000e-02 -4.4699000000e-03  5.1931000000e-03 -1.9950300000e-02  1.1600000000e-05  1.1513000000e-03  1.8059000000e-03 -1.1254600000e-02  2.2442000000e-03  6.0302000000e-03  2.4961000000e-03 -2.4524000000e-03 -1.6460000000e-04  1.0481900000e-02  5.7073000000e-03  2.4121000000e-03  7.6550000000e-04  5.5054000000e-03 -1.8463000000e-03 -9.8131000000e-03 -1.2021100000e-02 -9.8900000000e-04  1.0681000000e-03 -3.1080000000e-03  3.7189000000e-03 -1.3165500000e-02  4.5974000000e-03  5.5215000000e-03  1.9555200000e-02  3.7100000000e-05  5.8535000000e-03  4.5545000000e-03 -5.5565000000e-03 -7.5925000000e-03 -8.1024000000e-03  8.4798000000e-03  3.3211000000e-03 -3.0110000000e-04 -5.2961000000e-03 -6.4326000000e-03  4.5824000000e-03  8.0340000000e-04  5.3369000000e-03 -1.7940000000e-03 -1.8554300000e-02 -1.8810000000e-03 -1.9810000000e-03  7.1958000000e-03  1.9689000000e-03  5.7559000000e-03 -1.6654000000e-03  5.2100000000e-03  6.0110000000e-04 -6.0801000000e-03 -1.1219100000e-02 -1.2010700000e-02  1.2662900000e-02  2.3270000000e-03 -1.0057200000e-02  4.2529000000e-03 -8.6587000000e-03  1.4773000000e-03 -1.3259600000e-02  8.4512000000e-03 -2.3830000000e-03  3.6619000000e-03

JOB 191
COORDS   5.8540000000e-02 -1.2873100000e+00 -4.1582900000e+00 -5.0147000000e-01 -1.4258800000e+00 -4.9221000000e+00 -1.7872000000e-01 -4.1568000000e-01 -3.8417300000e+00 -1.1572400000e+00 -2.2778000000e-01  2.0228900000e+00 -8.9660000000e-01 -7.5569000000e-01  2.7776100000e+00 -9.8892000000e-01 -7.9029000000e-01  1.2669300000e+00  2.3986300000e+00 -1.5362400000e+00  1.6857600000e+00  2.4642800000e+00 -8.2320000000e-01  1.0505400000e+00  2.7520600000e+00 -2.2988900000e+00  1.2278400000e+00 -3.5254000000e-01  2.2615400000e+00  2.5285100000e+00 -1.4746000000e-01  2.2030600000e+00  3.4616600000e+00 -5.9499000000e-01  1.3696000000e+00  2.2797300000e+00 -2.1745400000e+00  2.8638600000e+00  3.6435000000e-01 -1.6155200000e+00  2.8676000000e+00  1.1413400000e+00 -2.6790400000e+00  3.6748400000e+00  4.2777000000e-01  2.1234100000e+00  1.2091000000e-01 -8.6065000000e-01  2.1396100000e+00  4.8310000000e-01 -1.7465400000e+00  1.3819400000e+00 -4.8444000000e-01 -8.6240000000e-01 -2.7847700000e+00  1.3853000000e-01 -9.2926000000e-01 -3.6695400000e+00  4.2120000000e-01 -1.1605900000e+00 -2.5287300000e+00  7.1592000000e-01 -2.1002000000e-01 -2.7933000000e-01 -1.1004900000e+00 -7.2202000000e-01 -1.1027300000e+00 -6.8445000000e-01 -9.7726000000e-01 -2.9210000000e-01 -1.9492700000e+00 -1.1643200000e+00  6.0884000000e-01 -9.8365000000e-01  3.9690300000e+00  1.2755700000e+00 -1.4294800000e+00  3.4465800000e+00  1.0935700000e+00 -5.9971000000e-01  4.6996800000e+00  2.2617800000e+00  2.3276100000e+00  1.3327800000e+00  2.1368200000e+00  1.6599000000e+00  6.5841000000e-01  1.4241800000e+00  2.7893000000e+00  1.3715000000e+00  1.5565000000e-01 -3.7005400000e+00 -1.8993400000e+00  4.2283000000e-01 -4.6195000000e+00 -1.8803200000e+00  7.4519000000e-01 -3.2922800000e+00 -2.5333800000e+00 -7.6819000000e-01  1.1538200000e+00 -3.2597300000e+00 -1.4804400000e+00  8.5412000000e-01 -2.6948300000e+00 -5.7871000000e-01  2.0417000000e+00 -2.9564300000e+00
ENERGY -9.171661035075e+02
EMD0 -3.112332130000e+02
FORCES   1.4560000000e-04  1.1111400000e-02  2.1870000000e-03 -1.3902000000e-03  4.1597000000e-03  2.1412000000e-03 -4.7726000000e-03 -1.1848000000e-02 -5.0008000000e-03  1.0647400000e-02  3.4200000000e-03  5.1873000000e-03 -6.5721000000e-03 -2.9591000000e-03 -1.1373900000e-02 -5.5878000000e-03 -8.1200000000e-05  1.0806400000e-02 -1.5840000000e-04  6.7313000000e-03 -2.4379000000e-03  8.5540000000e-04 -1.0299500000e-02  6.5050000000e-04 -1.0000000000e-07  3.1199000000e-03 -1.9089000000e-03  3.3111000000e-03 -1.9008200000e-02 -1.5585000000e-03 -2.5499000000e-03 -4.8173000000e-03  3.4070000000e-04  1.8621000000e-03  2.0319000000e-02  6.4153000000e-03  5.1928000000e-03  1.3430000000e-04  6.4036000000e-03 -1.0238000000e-02  4.1197000000e-03 -1.1541200000e-02  3.2187000000e-03 -5.8500000000e-05  3.5093000000e-03 -1.1742100000e-02 -4.6053000000e-03 -2.0306000000e-03 -4.3528000000e-03 -2.8363000000e-03  4.0530000000e-04  1.8310800000e-02  2.1028000000e-03 -3.3006000000e-03 -3.1379000000e-03 -2.3581000000e-03  5.8084000000e-03  1.7735000000e-03  3.6207000000e-03  2.9647000000e-03 -1.9885000000e-03 -1.0068800000e-02 -8.4002000000e-03 -1.2179000000e-03  2.0057000000e-03 -3.3929000000e-03  6.7860000000e-03 -4.9815000000e-03  3.4918000000e-03 -3.3850000000e-04  1.4300200000e-02 -1.7658000000e-03 -4.7490000000e-04  2.8664000000e-03 -9.2961000000e-03 -4.9291000000e-03  6.2700000000e-04  1.4799300000e-02  3.6923000000e-03 -2.8929000000e-03 -2.4577000000e-03 -4.3485000000e-03 -4.2210000000e-03  3.9533000000e-03 -3.0197000000e-03  8.1365000000e-03  5.9430000000e-03  4.8302000000e-03  6.1380000000e-04 -8.7688000000e-03 -5.7671000000e-03 -7.7960000000e-04  2.7162000000e-03  4.1574000000e-03  2.8893000000e-03 -6.1299000000e-03  1.8425000000e-03 -7.3383000000e-03  8.0700000000e-03  3.7092000000e-03 -2.6106000000e-03 -1.8981000000e-03  7.3851000000e-03  3.6188000000e-03 -6.5364000000e-03 -5.1343000000e-03 -2.1322000000e-03  2.0050000000e-03

JOB 192
COORDS  -2.6411000000e-01 -1.7098300000e+00 -4.7888200000e+00  3.2546000000e-01 -2.2344300000e+00 -5.3305200000e+00  2.3118000000e-01 -9.1354000000e-01 -4.5968500000e+00  2.8488000000e-01 -1.0461700000e+00  1.1876800000e+00  4.4315000000e-01 -1.5274500000e+00  1.9998100000e+00 -3.1267000000e-01 -1.6045900000e+00  6.9035000000e-01  2.0895700000e+00  7.7689000000e-01  5.2338900000e+00  2.4129300000e+00  1.6735400000e+00  5.3216700000e+00  1.4206100000e+00  6.9541000000e-01  5.9136600000e+00  6.1377000000e-01  1.4198900000e+00  2.4834200000e+00  8.9767000000e-01  1.1305700000e+00  3.3505500000e+00  5.2932000000e-01  6.1224000000e-01  1.9766700000e+00 -9.2398000000e-01  2.6267100000e+00  1.7579000000e-01 -6.8613000000e-01  2.3796400000e+00  1.0694500000e+00 -5.2340000000e-01  1.9533300000e+00 -3.7405000000e-01  3.4783000000e-01  4.8323000000e-01 -9.9625000000e-01  1.1432500000e+00  3.2117000000e-01 -4.8902000000e-01 -1.2315000000e-01 -3.4986000000e-01 -9.7672000000e-01 -3.1390200000e+00  9.6900000000e-01 -9.0920000000e-01 -3.9382300000e+00  1.1042500000e+00 -4.0007000000e-01 -2.6718400000e+00  1.8022300000e+00 -8.4837000000e-01 -1.5348200000e+00 -1.6064800000e+00 -5.8136000000e-01 -2.1385800000e+00 -8.6504000000e-01 -6.2582000000e-01 -1.7163400000e+00 -2.1116500000e+00 -1.3738700000e+00  1.1051400000e+00 -1.7031200000e+00  4.1833100000e+00  1.7815400000e+00 -1.2082500000e+00  4.6457000000e+00  6.7912000000e-01 -2.2223100000e+00  4.8653500000e+00  2.0813600000e+00  2.5033900000e+00  4.3598000000e-01  1.2829800000e+00  2.8518200000e+00  3.9220000000e-02  1.8551000000e+00  2.3745300000e+00  1.3570800000e+00 -1.7027900000e+00 -3.1707000000e+00 -2.7238100000e+00 -1.9192800000e+00 -4.0111300000e+00 -3.1276100000e+00 -1.1711500000e+00 -2.7193200000e+00 -3.3794300000e+00  1.0671100000e+00  5.1643000000e-01 -3.8666400000e+00  9.9676000000e-01  1.4434600000e+00 -4.0944400000e+00  8.1949000000e-01  4.7685000000e-01 -2.9428700000e+00
ENERGY -9.171823063187e+02
EMD0 -3.239642130000e+02
FORCES   3.4466000000e-03  1.6860200000e-02  2.2309000000e-03  1.4955000000e-03  3.4163000000e-03  1.9925000000e-03 -3.7413000000e-03 -1.7934200000e-02 -7.2032000000e-03 -1.2341000000e-02  3.0181000000e-03 -1.8011500000e-02 -7.8523000000e-03  6.2540000000e-04 -9.4957000000e-03  1.3166100000e-02 -2.3402000000e-03  1.2864300000e-02  7.0896000000e-03 -1.6459000000e-03 -1.6219000000e-03 -7.5933000000e-03 -1.6798000000e-03  3.7623000000e-03  3.5427000000e-03  1.7412000000e-03 -2.4996000000e-03 -7.4470000000e-04 -8.8950000000e-03 -5.3750000000e-03 -2.1000000000e-03 -3.5220000000e-04 -7.3089000000e-03  5.2480000000e-03  1.1980200000e-02  1.1612200000e-02  5.7539000000e-03 -1.1726600000e-02  2.2460000000e-03  2.3133000000e-03  8.4460000000e-04 -9.1910000000e-03 -5.1836000000e-03  1.3686400000e-02  6.2168000000e-03 -7.7084000000e-03 -6.7418000000e-03  1.8666900000e-02 -5.0451000000e-03 -5.2159000000e-03 -5.4877000000e-03  1.2023500000e-02  7.8954000000e-03 -3.0552000000e-03  4.9200000000e-03  5.9453000000e-03  5.8980000000e-04  2.5519000000e-03  3.3066000000e-03 -3.8870000000e-04 -1.0420700000e-02 -4.0563000000e-03 -4.0102000000e-03 -1.4003000000e-03 -8.5417000000e-03  5.1900000000e-05  7.6457000000e-03 -1.2915500000e-02 -6.1181000000e-03 -1.5540000000e-04  1.8462500000e-02  6.3523000000e-03  3.7418000000e-03  2.6554000000e-03 -2.9328000000e-03 -7.7116000000e-03 -8.0750000000e-03  6.0369000000e-03  4.5621000000e-03  4.7644000000e-03  2.9370000000e-03 -8.4104000000e-03 -8.5830000000e-04  7.9794000000e-03  2.0048000000e-03 -4.7066000000e-03  2.0903000000e-03  3.0750000000e-03  4.3278000000e-03 -6.6576000000e-03  7.7640000000e-04  7.4951000000e-03  3.4941000000e-03  4.5706000000e-03  1.9287000000e-03 -6.0582000000e-03 -7.9212000000e-03 -1.3604900000e-02  1.1297400000e-02  4.2940000000e-04 -1.0411000000e-03  7.3873000000e-03 -8.8980000000e-04 -3.0420000000e-04  4.9233000000e-03  8.6230000000e-04  1.6817000000e-03 -1.7316400000e-02

JOB 193
COORDS   1.4595000000e-01 -2.1098900000e+00 -3.3968400000e+00  9.3122000000e-01 -2.5619500000e+00 -3.0882600000e+00  4.7066000000e-01 -1.4703600000e+00 -4.0307000000e+00  1.3173200000e+00 -6.4469000000e-01  5.1250000000e-02  1.6447700000e+00 -1.3970000000e+00  5.4424000000e-01  3.8651000000e-01 -8.2797000000e-01 -7.6150000000e-02 -9.7499000000e-01 -1.9209000000e-01  4.4176800000e+00 -1.0912500000e+00  3.0088000000e-01  5.2298900000e+00 -1.4167300000e+00  3.3486000000e-01  3.7517800000e+00  1.1786700000e+00  1.2041200000e+00  1.9369900000e+00  8.2628000000e-01  7.5497000000e-01  2.7053100000e+00  1.5229900000e+00  5.0173000000e-01  1.3853200000e+00 -2.0163900000e+00  9.2563000000e-01 -9.9435000000e-01 -1.2655300000e+00  1.3805900000e+00 -1.3757300000e+00 -2.0507200000e+00  8.8840000000e-02 -1.4578600000e+00  8.4881000000e-01  1.3099100000e+00 -1.7555100000e+00  1.2537000000e+00  2.1177300000e+00 -1.4397100000e+00  1.1881200000e+00  6.2858000000e-01 -1.1750900000e+00 -1.6203100000e+00  9.6971000000e-01  1.6409300000e+00 -8.7467000000e-01  1.5234600000e+00  1.4093800000e+00 -2.1968500000e+00  1.0122000000e+00  8.7803000000e-01 -1.2360400000e+00 -1.6024000000e+00  5.3862000000e-01 -1.3833900000e+00 -6.7267000000e-01  7.1218000000e-01 -1.9066500000e+00 -1.8359400000e+00 -1.0322000000e-01  6.6644000000e-01 -2.1608500000e+00  3.3246900000e+00  1.0894000000e-01 -1.4348500000e+00  3.6046200000e+00  1.6192000000e-01 -2.6008900000e+00  2.6405400000e+00  1.8626200000e+00  3.5763200000e+00  4.0867000000e-01  2.5668200000e+00  3.9394100000e+00  9.4579000000e-01  1.4850900000e+00  2.8802800000e+00  9.4647000000e-01 -2.1558000000e+00 -1.7763200000e+00 -1.9778400000e+00 -2.7661300000e+00 -1.8687200000e+00 -2.7094100000e+00 -1.3204700000e+00 -2.0940700000e+00 -2.3206000000e+00  1.9690200000e+00  4.6765000000e-01 -4.1566000000e+00  2.6263100000e+00  1.1598300000e+00 -4.0852900000e+00  1.3458000000e+00  6.5527000000e-01 -3.4547200000e+00
ENERGY -9.171833375525e+02
EMD0 -3.383652870000e+02
FORCES  -3.3960000000e-03  4.1077000000e-03 -1.9562000000e-03 -9.6890000000e-04  2.4364000000e-03 -2.1555000000e-03  5.3410000000e-04 -6.1574000000e-03  3.9951000000e-03 -1.3434400000e-02  1.2206000000e-03  2.1874000000e-03 -3.7853000000e-03  4.7435000000e-03  7.6310000000e-04  1.5733100000e-02  9.9846000000e-03 -3.7560000000e-03 -4.7850000000e-04 -9.0668000000e-03  1.1608000000e-03 -4.0808000000e-03  4.8294000000e-03 -5.6111000000e-03  6.7967000000e-03 -1.5490000000e-04  1.3713600000e-02  1.1504000000e-03 -1.3343500000e-02 -8.5976000000e-03  8.6690000000e-04 -1.4811000000e-03 -6.9694000000e-03  5.9290000000e-04  4.0220000000e-03  1.1897900000e-02  3.9322000000e-03 -4.4737000000e-03 -1.1410000000e-04 -8.7777000000e-03 -4.8866000000e-03  6.5700000000e-04  4.3725000000e-03  1.2082900000e-02  4.9015000000e-03  7.2968000000e-03 -6.1874000000e-03  4.0274000000e-03 -1.7078000000e-03 -9.9044000000e-03 -5.7950000000e-04 -5.9164000000e-03  9.4901000000e-03 -4.6962000000e-03  8.6570000000e-04  2.6136000000e-03 -1.3784100000e-02 -8.4498000000e-03 -5.1730000000e-04 -1.8183000000e-03  7.2990000000e-03 -5.4544000000e-03  8.5843000000e-03 -9.5432000000e-03  3.8981000000e-03 -3.2500000000e-04  2.4644000000e-03 -8.2041000000e-03 -1.5058400000e-02  2.0930000000e-03  7.2286000000e-03  7.1570000000e-03 -7.1161000000e-03  1.7693000000e-03  1.1391400000e-02  5.1130000000e-03 -4.4365000000e-03 -1.1783800000e-02  2.5441000000e-03  3.4647000000e-03  2.2071000000e-03 -7.3950000000e-04  5.9300000000e-05  5.3679000000e-03 -2.2299000000e-03 -2.6083000000e-03  2.4893000000e-03  4.7555000000e-03  8.3804000000e-03 -7.9946000000e-03  1.3659400000e-02 -3.7901000000e-03 -6.0020000000e-04  4.8845000000e-03  3.5310000000e-04 -1.0995000000e-03 -1.5375400000e-02 -1.3576000000e-03  6.4434000000e-03 -9.8440000000e-04  6.5270000000e-03  7.7032000000e-03 -2.1980000000e-03  1.0054000000e-03  2.5484000000e-03  4.2280000000e-03 -6.1925000000e-03 -1.0296400000e-02

JOB 194
COORDS   9.1796000000e-01 -1.4882400000e+00 -3.7228800000e+00  7.1051000000e-01 -1.7882400000e+00 -4.6078700000e+00  1.0161400000e+00 -5.3988000000e-01 -3.8078100000e+00  1.0255700000e+00 -1.3728900000e+00 -5.8320000000e-01  1.1141600000e+00 -1.7699400000e+00 -1.4496500000e+00  1.1073000000e-01 -1.5210600000e+00 -3.4372000000e-01 -2.3368600000e+00 -7.6825000000e-01  3.5772600000e+00 -1.8798100000e+00 -9.7117000000e-01  4.3934500000e+00 -2.2779900000e+00  1.8397000000e-01  3.4995800000e+00  3.5840100000e+00  5.8464000000e-01  1.6570400000e+00  2.8883700000e+00  2.3310000000e-02  1.9994200000e+00  4.1839000000e+00 -1.7790000000e-02  1.2172300000e+00 -1.7364000000e+00  5.6344000000e-01 -6.5986000000e-01 -8.8765000000e-01  9.8697000000e-01 -7.8819000000e-01 -1.8548500000e+00  2.1980000000e-02 -1.4402600000e+00  7.5371000000e-01  1.2557800000e+00 -1.3577700000e+00  1.0031600000e+00  1.6866900000e+00 -5.4027000000e-01  8.8031000000e-01  3.2274000000e-01 -1.1855900000e+00 -2.6012900000e+00  1.6002700000e+00  1.8282700000e+00 -2.6818100000e+00  2.5134500000e+00  1.5528800000e+00 -2.4840500000e+00  1.1131000000e+00  1.0127000000e+00 -1.2177500000e+00 -1.5860900000e+00  1.0469400000e+00 -1.2905300000e+00 -8.2602000000e-01  4.6970000000e-01 -1.6590700000e+00 -1.3183800000e+00  1.8530500000e+00  5.3394000000e-01  1.9937000000e-01  2.6856000000e+00 -2.8607000000e-01  3.2235000000e-01  3.1638400000e+00  3.2673000000e-01 -4.5472000000e-01  2.0181800000e+00  1.5960900000e+00  2.3673600000e+00  9.5235000000e-01  2.4882700000e+00  2.0314200000e+00  1.0382900000e+00  1.1926300000e+00  2.1974000000e+00  1.8035700000e+00 -2.4223700000e+00 -2.2126700000e+00 -1.5693600000e+00 -2.3651200000e+00 -3.1269800000e+00 -1.8468700000e+00 -2.2757000000e+00 -2.2392300000e+00 -6.2384000000e-01  1.8905300000e+00  8.9611000000e-01 -3.8774400000e+00  1.4284700000e+00  1.5071200000e+00 -3.3035100000e+00  2.8170000000e+00  1.0387000000e+00 -3.6836200000e+00
ENERGY -9.171727241127e+02
EMD0 -3.202224990000e+02
FORCES   9.5610000000e-03  1.6345600000e-02 -2.1741000000e-03  8.3480000000e-04  6.3954000000e-03 -1.2516000000e-03 -1.1944800000e-02 -9.8005000000e-03 -2.1112000000e-03  8.4840000000e-04 -6.1225000000e-03  4.9627000000e-03 -4.7358000000e-03  4.3405000000e-03  1.1181500000e-02 -2.8699000000e-03  9.7410000000e-03 -7.0240000000e-03 -1.0340500000e-02 -8.7150000000e-04  7.9530000000e-04  7.4120000000e-04  8.1378000000e-03 -2.9601000000e-03  1.3709900000e-02 -1.2022500000e-02  7.1977000000e-03 -2.2363000000e-03  3.3839000000e-03  5.7800000000e-04  7.1992000000e-03 -8.9360000000e-04 -5.0045000000e-03 -3.7507000000e-03 -2.6674000000e-03  3.3984000000e-03  1.0479400000e-02  1.2573700000e-02 -1.1805000000e-02 -1.4256400000e-02 -1.4639400000e-02  8.5670000000e-03  9.3175000000e-03  4.2265000000e-03  6.6135000000e-03  1.3381800000e-02 -6.0868000000e-03  1.3552800000e-02 -9.5741000000e-03 -1.4581200000e-02 -1.4881700000e-02 -1.2002600000e-02  1.5470200000e-02 -6.0610000000e-04 -2.1216000000e-03 -5.4030000000e-04 -9.3362000000e-03  1.6550000000e-04 -2.2523000000e-03 -3.3918000000e-03 -1.6990000000e-04  5.6351000000e-03  1.0918600000e-02 -5.5551000000e-03  4.1550000000e-03  2.9166000000e-03  9.9839000000e-03 -1.7355400000e-02  6.9688000000e-03  1.0344500000e-02  7.4626000000e-03 -1.4961100000e-02 -5.1726000000e-03 -5.1241000000e-03 -3.1782000000e-03 -1.6281000000e-03 -1.7504000000e-03 -6.4560000000e-04  6.0900000000e-05  7.0644000000e-03  6.3970000000e-03  4.5581000000e-03 -9.1815000000e-03  2.8017000000e-03 -9.9652000000e-03  5.6849000000e-03 -5.1910000000e-04  5.6258000000e-03  5.0050000000e-03 -1.0131000000e-03 -1.7673000000e-03 -4.0250000000e-04  1.6930000000e-04 -6.8400000000e-05 -2.1650000000e-04  6.7276000000e-03  7.3710000000e-04 -3.6530000000e-04 -1.1077500000e-02 -4.0752000000e-03 -1.4158500000e-02  6.6757000000e-03  6.8908000000e-03 -2.2262000000e-03 -1.0198100000e-02 -2.2053000000e-03  5.6371000000e-03  1.7170000000e-03

JOB 195
COORDS   2.9143600000e+00 -2.3649800000e+00 -1.6191900000e+00  2.6045800000e+00 -2.9796700000e+00 -2.2843500000e+00  2.4551200000e+00 -1.5482300000e+00 -1.8147400000e+00  2.2068500000e+00 -1.3330800000e+00  6.6820000000e-01  2.5652600000e+00 -1.8111400000e+00 -7.9620000000e-02  1.2728700000e+00 -1.5425500000e+00  6.6165000000e-01 -1.1438100000e+00  2.0300000000e-03  2.1475700000e+00 -6.1988000000e-01  4.8464000000e-01  2.7869600000e+00 -1.6149400000e+00  6.7974000000e-01  1.6628200000e+00  2.9888800000e+00  1.7515600000e+00 -4.1865000000e-01  3.1925900000e+00  1.5155900000e+00  4.8636000000e-01  3.2023300000e+00  2.6827900000e+00 -4.7771000000e-01 -3.4955600000e+00 -1.2246600000e+00 -4.7511000000e-01 -2.7086100000e+00 -1.7595300000e+00 -5.7939000000e-01 -3.5147900000e+00 -6.7125000000e-01 -1.2558800000e+00 -9.9332000000e-01  4.2790000000e-01 -9.5005000000e-01 -1.6707400000e+00  9.9983000000e-01 -5.8918000000e-01 -9.6809000000e-01 -3.2026000000e-01 -3.5351000000e-01 -3.4554300000e+00  1.2067300000e+00  7.9812000000e-01 -3.8079900000e+00  1.2276400000e+00  1.6877800000e+00 -3.6732900000e+00  3.3277000000e-01  4.7413000000e-01 -9.2321000000e-01 -2.1469000000e+00  2.8220000000e-01 -1.0581100000e+00 -2.9952500000e+00  7.0451000000e-01 -1.0828700000e+00 -1.5059100000e+00  9.7493000000e-01  3.5483900000e+00  7.6621000000e-01  2.1987000000e+00  4.3903600000e+00  4.1920000000e-01  2.4935000000e+00  3.2564800000e+00  1.4953000000e-01  1.5273400000e+00  9.3245000000e-01  1.6429700000e+00  2.2212500000e+00  8.4309000000e-01  1.3226500000e+00  1.3236700000e+00  1.8241300000e+00  1.4035300000e+00  2.4738500000e+00 -4.1209400000e+00  1.3689200000e+00 -2.5794700000e+00 -4.8808900000e+00  1.0481500000e+00 -3.0650800000e+00 -3.7028400000e+00  1.9928700000e+00 -3.1728600000e+00  1.6015500000e+00 -8.3390000000e-02 -2.2571700000e+00  6.8865000000e-01  2.4870000000e-02 -1.9904700000e+00  2.0655200000e+00  6.3082000000e-01 -1.8202900000e+00
ENERGY -9.171630794619e+02
EMD0 -3.124504560000e+02
FORCES  -6.1466000000e-03  1.4606100000e-02  3.0560000000e-03 -2.4446000000e-03  4.5048000000e-03 -2.4735000000e-03  8.0176000000e-03 -2.0973800000e-02  1.4025600000e-02  1.0605000000e-03 -1.3460700000e-02 -1.6763900000e-02 -8.3502000000e-03  1.1124300000e-02  3.5190000000e-03  4.9349000000e-03 -1.4171000000e-03 -2.2131000000e-03  1.0371700000e-02  1.1366000000e-02  3.6517000000e-03 -1.3153600000e-02 -3.8880000000e-04 -5.2420000000e-04  1.0310100000e-02 -4.1274000000e-03  3.4510000000e-03  2.3758000000e-03 -4.1056000000e-03  6.9096000000e-03 -3.7373000000e-03 -5.5550000000e-04 -3.5837000000e-03  1.2422000000e-03 -2.0416000000e-03  3.8859000000e-03  7.8575000000e-03 -4.0554000000e-03  3.0635000000e-03 -7.7450000000e-03  4.7696000000e-03 -5.4276000000e-03  3.0274000000e-03 -4.3114000000e-03  9.0560000000e-03 -4.2866000000e-03  7.5320000000e-04 -1.4120000000e-04  4.4955000000e-03 -8.1771000000e-03  2.4416000000e-03 -3.3750000000e-03  1.2125000000e-03  5.9432000000e-03 -7.6905000000e-03 -6.6390000000e-03 -8.8035000000e-03  1.5428000000e-03 -5.7230000000e-03 -2.3422000000e-03  9.0200000000e-04  1.3431400000e-02  6.8297000000e-03 -5.4300000000e-04  7.5225000000e-03  3.1579000000e-03 -2.2871000000e-03  4.8973000000e-03  2.4777000000e-03  2.5490000000e-04 -1.0289300000e-02 -2.0259700000e-02 -6.0715000000e-03 -4.4523000000e-03  3.4395000000e-03 -1.5508000000e-03 -3.4840000000e-03 -5.1348000000e-03  1.1720500000e-02  2.4236400000e-02  2.3770000000e-03  4.6090000000e-03 -3.3850000000e-03 -8.2110000000e-04  2.2933000000e-03 -3.7520000000e-04  5.6911000000e-03 -7.8782000000e-03 -1.0826000000e-03 -8.4588000000e-03  1.6910000000e-03  4.2304000000e-03  2.3748000000e-03  4.2750000000e-03  2.2112000000e-03 -1.5385000000e-03 -6.1584000000e-03 -2.1006000000e-03 -2.3589000000e-03 -1.4454000000e-03  4.0356000000e-03  4.2002000000e-03  9.8618000000e-03 -1.1874000000e-03 -1.6585000000e-03 -7.9796000000e-03 -6.5686000000e-03 -7.0479000000e-03

JOB 196
COORDS   1.2433100000e+00 -1.4003900000e+00 -3.0873600000e+00  1.7813400000e+00 -1.4812600000e+00 -3.8749000000e+00  1.2740800000e+00 -4.6862000000e-01 -2.8703300000e+00  2.1413300000e+00 -2.4129600000e+00 -5.9902000000e-01  1.9619500000e+00 -2.0230900000e+00 -1.4546200000e+00  1.2894900000e+00 -2.4375100000e+00 -1.6313000000e-01 -1.3576300000e+00  2.1108000000e-01  2.7459900000e+00 -1.8557100000e+00  9.2751000000e-01  3.1395200000e+00 -2.0128600000e+00 -3.1044000000e-01  2.2824000000e+00  3.7851200000e+00  8.8906000000e-01 -8.4686000000e-01  3.5857500000e+00  1.5955000000e-01 -2.6008000000e-01  4.7311300000e+00  1.0105000000e+00 -7.6594000000e-01 -1.2894800000e+00 -1.2746500000e+00 -1.4666800000e+00 -4.2695000000e-01 -1.2302300000e+00 -1.8793700000e+00 -1.9003500000e+00 -1.0244300000e+00 -2.1598300000e+00 -1.1576500000e+00  1.0166700000e+00  1.6114000000e-01 -1.3563200000e+00  1.8548000000e-01 -2.7001000000e-01 -1.0606600000e+00  7.9009000000e-01  1.0860600000e+00 -3.7938100000e+00  1.6265200000e+00  1.1788400000e+00 -3.8911200000e+00  2.2513500000e+00  1.8974100000e+00 -3.0044500000e+00  1.9113600000e+00  7.1838000000e-01  1.2854600000e+00 -1.4818500000e+00  2.1344900000e+00  2.1988000000e+00 -1.1955200000e+00  2.1266700000e+00  7.9317000000e-01 -7.0642000000e-01  2.4039100000e+00  3.7837700000e+00 -1.2202800000e+00  1.3409500000e+00  3.4205900000e+00 -1.9626700000e+00  8.5804000000e-01  4.3731800000e+00 -1.6165900000e+00  1.9826300000e+00 -2.9114800000e+00  3.4304700000e+00  3.7834200000e+00 -2.7638800000e+00  4.2004200000e+00  3.2342200000e+00 -2.4043500000e+00  3.6010500000e+00  4.5771200000e+00 -2.9295000000e+00 -4.2987000000e-01 -3.6918400000e+00 -2.3431600000e+00  3.7230000000e-02 -4.2870400000e+00 -2.8803800000e+00 -1.3431500000e+00 -3.9742300000e+00  1.0866500000e+00  9.3775000000e-01 -1.6544200000e+00  4.0517000000e-01  1.2354600000e+00 -1.0517700000e+00  1.9071000000e+00  1.2033700000e+00 -1.2390400000e+00
ENERGY -9.171579860529e+02
EMD0 -2.996490590000e+02
FORCES  -3.0704000000e-03  3.3949000000e-03  6.2181000000e-03  3.9450000000e-04  7.8104000000e-03  2.0084000000e-03  2.3595000000e-03 -1.8497900000e-02 -1.2578600000e-02 -3.4653000000e-03  3.3502000000e-03 -8.7040000000e-03 -1.9013000000e-03 -1.4683000000e-03  1.2155500000e-02  1.5190000000e-03 -3.1090000000e-04 -8.8930000000e-03 -1.9619000000e-03 -1.6700000000e-04  5.6710000000e-04  1.6567000000e-03 -5.0624000000e-03 -3.6414000000e-03  5.2203000000e-03  7.1592000000e-03 -2.5598000000e-03  2.1110000000e-04 -1.3810000000e-04  4.1690000000e-04  1.0529000000e-03  8.2378000000e-03 -7.2829000000e-03 -3.0080000000e-04 -4.4040000000e-03  2.2513000000e-03 -1.3871000000e-03 -1.7240000000e-03 -7.4138000000e-03 -6.1507000000e-03  4.2819000000e-03  6.8140000000e-04  9.7747000000e-03 -6.1568000000e-03  2.9969000000e-03 -2.0190000000e-03 -1.4776200000e-02  6.1411000000e-03  2.5082000000e-03  1.2829900000e-02  1.3937400000e-02 -8.2812000000e-03 -3.4884000000e-03 -9.9288000000e-03  9.1090000000e-04 -2.7206000000e-03 -6.7540000000e-03  5.4571000000e-03  3.8100000000e-05 -6.3655000000e-03 -8.1519000000e-03  6.4281000000e-03  1.0510000000e-02  1.1080300000e-02 -9.5030000000e-04 -4.5819000000e-03 -7.6635000000e-03 -1.5555000000e-03  4.0449000000e-03  1.0754200000e-02  5.2010000000e-04 -2.0930000000e-03 -1.0905000000e-02 -1.5300000000e-04 -7.7745000000e-03  1.0201600000e-02  5.1733000000e-03  2.0292600000e-02 -6.2654000000e-03 -4.8146000000e-03 -2.4780000000e-03 -3.6956000000e-03 -1.6910000000e-04  3.3270000000e-03  1.7246000000e-03 -2.0760000000e-03  4.1138000000e-03  9.1450000000e-04  3.8873000000e-03 -5.1163000000e-03 -6.7515000000e-03  5.9219000000e-03 -6.2600000000e-04 -4.9500000000e-04 -7.0547000000e-03 -1.6160000000e-04  6.6612000000e-03  4.9996000000e-03  3.0190000000e-03 -2.6709000000e-03 -3.1730000000e-04  4.7180000000e-03  1.5936300000e-02  2.2618000000e-03 -5.3911000000e-03 -1.3201000000e-02 -2.8940000000e-04  4.9451000000e-03

JOB 197
COORDS  -8.7400000000e-03 -8.7747000000e-01 -8.6577000000e-01 -8.8825000000e-01 -6.9193000000e-01 -1.1948200000e+00 -1.0346000000e-01 -8.7529000000e-01  8.6730000000e-02  2.3042400000e+00 -2.2906800000e+00 -1.0736200000e+00  1.4963900000e+00 -1.7792100000e+00 -1.1185000000e+00  2.1274500000e+00 -2.9611400000e+00 -4.1373000000e-01  3.5168000000e-01 -1.4375100000e+00  1.9635500000e+00  9.9710000000e-02 -8.6336000000e-01  2.6868000000e+00  1.3017800000e+00 -1.3402200000e+00  1.8997000000e+00  2.6014400000e+00  1.7445900000e+00  1.3601100000e+00  2.3548400000e+00  1.9811500000e+00  4.6598000000e-01  2.9137300000e+00  8.4232000000e-01  1.2921800000e+00 -2.5574200000e+00 -1.7693000000e-01 -1.2463100000e+00 -3.2024100000e+00 -3.6692000000e-01 -5.6504000000e-01 -2.9101900000e+00 -5.9219000000e-01 -2.0332900000e+00 -1.8178500000e+00  2.4843900000e+00 -1.0344100000e+00 -9.0781000000e-01  2.4445200000e+00 -7.4036000000e-01 -2.1157100000e+00  1.5748800000e+00 -1.0171200000e+00  3.6732000000e-01  1.1294400000e+00  2.7172300000e+00 -2.6776000000e-01  1.7961000000e+00  2.4555600000e+00  1.1861900000e+00  1.4025900000e+00  2.3036100000e+00  1.8274700000e+00 -3.8337600000e+00  1.2208700000e+00  1.9280300000e+00 -4.4846200000e+00  1.9154900000e+00  1.1040100000e+00 -3.2797700000e+00  1.5139900000e+00  2.9928500000e+00 -1.0757700000e+00  1.3076600000e+00  2.8464300000e+00 -1.5939200000e+00  5.1627000000e-01  3.5782700000e+00 -1.6130300000e+00  1.8413800000e+00 -3.8644100000e+00  3.7593900000e+00  4.9925000000e-01 -3.5319900000e+00  4.5455300000e+00  9.3251000000e-01 -3.1793100000e+00  3.5218500000e+00 -1.2560000000e-01 -3.2150100000e+00 -1.2012200000e+00 -3.8212200000e+00 -3.8955300000e+00 -9.2034000000e-01 -4.4329500000e+00 -3.0555700000e+00 -2.1183400000e+00 -4.0441600000e+00  1.1034400000e+00  1.9023400000e+00 -9.7927000000e-01  1.1105300000e+00  2.2950300000e+00 -1.8521800000e+00  6.7503000000e-01  1.0550300000e+00 -1.1007700000e+00
ENERGY -9.171837765847e+02
EMD0 -3.498959060000e+02
FORCES  -1.1470500000e-02 -1.1030100000e-02  3.6288000000e-03  9.9125000000e-03  1.9644000000e-03  4.3541000000e-03 -2.5013000000e-03  4.2796000000e-03 -1.8138000000e-02 -1.0442500000e-02 -1.8354000000e-03 -9.3632000000e-03  1.1540000000e-02 -7.0333000000e-03  9.9465000000e-03 -4.8200000000e-04  1.9086300000e-02  3.7301000000e-03  8.8127000000e-03  2.0381300000e-02  5.6906000000e-03  4.8075000000e-03 -1.1174000000e-02  9.2730000000e-04 -1.4713400000e-02 -1.0005800000e-02  1.6921000000e-03 -2.0819000000e-03 -3.0436000000e-03 -4.8957000000e-03  6.5527000000e-03 -4.4336000000e-03  7.0878000000e-03 -7.0400000000e-03  1.1025100000e-02 -1.6865000000e-03  7.7179000000e-03  1.9400000000e-03 -7.7530000000e-03 -1.3174000000e-03 -7.0150000000e-04 -7.2172000000e-03  1.7403000000e-03 -4.2800000000e-05  1.9908500000e-02 -5.4010000000e-04 -7.3289000000e-03 -2.1490000000e-03 -7.9933000000e-03 -6.2669000000e-03 -2.3633000000e-03  7.3223000000e-03  7.8659000000e-03  6.0543000000e-03  1.9665600000e-02  1.4470000000e-04 -9.8176000000e-03  4.0037000000e-03  7.3390000000e-04 -2.9665000000e-03 -1.9077300000e-02 -4.7547000000e-03  7.5358000000e-03 -8.7720000000e-04  2.0503000000e-03 -4.1068000000e-03 -4.5269000000e-03  4.8423000000e-03  3.2955000000e-03  1.1787400000e-02 -7.4917000000e-03 -2.7919000000e-03 -2.4542000000e-03 -3.8702000000e-03 -1.8665400000e-02 -2.9939000000e-03 -9.0020000000e-04  2.4619100000e-02 -2.7126000000e-03 -2.1226000000e-03 -3.6256000000e-03  3.4568000000e-03 -5.4961000000e-03 -5.0726000000e-03  3.2204000000e-03 -2.0349000000e-03 -3.2846000000e-03 -7.9374000000e-03  9.6742000000e-03  8.4083000000e-03  2.9641000000e-03  4.1769000000e-03 -1.2291000000e-03  1.6251000000e-03 -7.3133000000e-03 -7.2840000000e-04 -5.0694000000e-03  3.2589000000e-03 -2.3823000000e-03  4.9851000000e-03 -8.9824000000e-03  4.5626000000e-03 -4.3580000000e-03 -5.1174000000e-03  1.6041000000e-03 -1.5249000000e-03  1.9555700000e-02 -4.8089000000e-03

JOB 198
COORDS   4.3480000000e-01 -7.6334000000e-01 -1.2597900000e+00  1.0713700000e+00 -2.2572000000e-01 -7.8865000000e-01  7.5578000000e-01 -1.6594100000e+00 -1.1585300000e+00  3.6575700000e+00 -3.4340600000e+00  3.2889000000e-01  3.9042500000e+00 -4.3580800000e+00  3.6840000000e-01  2.7606200000e+00 -3.4392000000e+00 -5.2900000000e-03  8.3243000000e-01 -2.1037400000e+00  2.1695400000e+00  2.7334000000e-01 -1.3268600000e+00  2.1795300000e+00  1.7246400000e+00 -1.7575800000e+00  2.1882800000e+00  2.2306400000e+00  6.8984000000e-01  2.1640000000e-02  2.1433100000e+00  1.6036000000e+00  2.9301000000e-01  2.5864600000e+00  2.4415000000e-01  7.9040000000e-01 -2.5913600000e+00  2.7002300000e+00  2.1501000000e-01 -1.7110000000e+00  3.0122900000e+00  5.7100000000e-03 -2.6978100000e+00  1.9096100000e+00 -3.1397000000e-01 -1.2817000000e-01  3.5785500000e+00 -1.1599300000e+00 -2.0329000000e-01  4.2728500000e+00 -1.8145600000e+00  1.5218000000e-01  2.8097800000e+00 -1.6565400000e+00 -5.7561000000e-01  2.8988000000e-01  1.8116400000e+00 -1.5226200000e+00  4.0638000000e-01  1.8879200000e+00 -3.5030000000e-01  6.9723000000e-01  9.7526000000e-01  1.0305900000e+00 -3.2704700000e+00 -2.1956000000e-01  1.9927000000e-01 -3.7291000000e+00 -3.4115000000e-01  8.8925000000e-01 -2.7170200000e+00  5.4852000000e-01  3.2588600000e+00 -1.0662100000e+00  1.8378300000e+00  3.5328000000e+00 -1.7732800000e+00  1.2536700000e+00  3.9291000000e+00 -1.0459900000e+00  2.5209100000e+00 -6.9199100000e+00  1.8939300000e+00 -2.9764000000e-01 -7.2365500000e+00  1.7339500000e+00  5.9139000000e-01 -6.0072200000e+00  2.1588000000e+00 -1.8330000000e-01 -2.2660500000e+00 -3.5480000000e-02 -4.6871000000e-01 -1.4889100000e+00 -2.6951000000e-01 -9.7617000000e-01 -2.9494400000e+00 -6.2271000000e-01 -7.9178000000e-01  9.4376000000e-01  1.6385800000e+00 -2.9314000000e+00  7.8608000000e-01  1.3884300000e+00 -3.8417800000e+00  9.3960000000e-01  8.1074000000e-01 -2.4508800000e+00
ENERGY -9.171760392712e+02
EMD0 -3.311719490000e+02
FORCES   1.3936200000e-02 -5.3820000000e-03  1.4162700000e-02 -9.6001000000e-03 -1.0598100000e-02 -1.1680500000e-02  1.0543000000e-03  1.2347400000e-02  3.4632000000e-03 -8.4750000000e-03 -2.7917000000e-03 -3.2046000000e-03 -5.8104000000e-03 -1.2530000000e-03 -3.7748000000e-03  1.3281800000e-02  2.3558000000e-03  7.2205000000e-03  5.2991000000e-03  1.1227800000e-02  8.3176000000e-03  1.2340500000e-02 -1.1676300000e-02  3.2800000000e-04 -9.0883000000e-03 -3.3465000000e-03 -8.4540000000e-03  4.0400000000e-03 -1.1350600000e-02  3.9200000000e-05  2.0786000000e-03 -5.6721000000e-03  5.8523000000e-03 -7.7416000000e-03  1.1917800000e-02 -8.3523000000e-03  5.1941000000e-03 -2.0110000000e-04 -4.4209000000e-03 -6.2233000000e-03 -9.8008000000e-03  4.1360000000e-03  4.6180000000e-04  8.3689000000e-03 -3.1750000000e-04  3.2638000000e-03 -1.6960000000e-03 -7.1022000000e-03  1.4923000000e-03 -2.9940000000e-03 -2.2718000000e-03 -5.5724000000e-03  6.3657000000e-03  9.5555000000e-03 -5.5511000000e-03 -3.6560000000e-04 -5.8456000000e-03  3.4773000000e-03 -7.6500000000e-05  1.7097000000e-03 -1.3830000000e-04  1.1715000000e-03  1.4579000000e-03  3.0644000000e-03  3.8002000000e-03  2.4069500000e-02 -2.0115000000e-03  6.1970000000e-03  2.1946000000e-03  4.2341000000e-03 -6.7815000000e-03 -3.1721700000e-02 -5.8846000000e-03 -6.5936000000e-03 -5.1380000000e-03 -7.2180000000e-03  1.5139600000e-02  1.1453600000e-02  9.2290000000e-04 -4.4025000000e-03 -3.9106000000e-03 -1.7397000000e-03  1.7693000000e-03 -2.9890000000e-03  4.7833000000e-03  7.8490000000e-04 -1.0672000000e-03 -4.5435000000e-03 -3.1724000000e-03  3.8588000000e-03  1.0570900000e-02  5.2620000000e-04  4.7120000000e-03 -1.7173600000e-02  2.8184000000e-03  6.6280000000e-04  5.2463000000e-03 -4.5020000000e-04 -2.2952000000e-03  1.4129000000e-03 -2.0888000000e-03  1.0855000000e-03  1.1924000000e-03 -4.1765000000e-03  2.3670000000e-03 -5.7570000000e-04  1.0079400000e-02 -4.1006000000e-03

JOB 199
COORDS   1.6308700000e+00 -1.9979000000e-01 -2.0233200000e+00  2.0773600000e+00  1.6004000000e-01 -1.2568900000e+00  1.6642500000e+00 -1.1480700000e+00 -1.8972900000e+00  3.8302100000e+00 -2.5935000000e+00 -3.8957000000e-01  4.3058900000e+00 -2.5409900000e+00 -1.2185400000e+00  2.9315900000e+00 -2.8061200000e+00 -6.4157000000e-01  1.1773400000e+00 -1.5890800000e+00  1.3685500000e+00  7.1418000000e-01 -1.4381400000e+00  2.1925300000e+00  2.0461400000e+00 -1.8911300000e+00  1.6334500000e+00  2.5348800000e+00  6.0137000000e-01  4.1344000000e-01  1.9499700000e+00 -6.6570000000e-02  7.7116000000e-01  3.4110800000e+00  3.1775000000e-01  6.7435000000e-01  3.3066000000e-01  1.6073300000e+00 -3.3860100000e+00  4.1860000000e-01  1.5114000000e+00 -4.3343200000e+00  7.0157000000e-01  8.0089000000e-01 -3.0278000000e+00  1.6847600000e+00  3.4219500000e+00 -4.6300000000e-01  1.7673300000e+00  3.5047700000e+00 -1.4130300000e+00  1.9010400000e+00  2.5072100000e+00 -2.8215000000e-01 -9.2582000000e-01 -9.4230000000e-01  3.1816200000e+00 -1.2756700000e+00 -1.1794000000e-01  2.8435900000e+00 -1.2384200000e+00 -9.8302000000e-01  4.0854200000e+00  1.1819200000e+00 -2.8121500000e+00 -1.0278100000e+00  5.0796000000e-01 -3.4915600000e+00 -1.0480500000e+00  1.0169800000e+00 -2.3346400000e+00 -2.1478000000e-01  3.7209500000e+00 -2.4214900000e+00  2.2745100000e+00  3.9884200000e+00 -2.5666100000e+00  1.3669700000e+00  4.3627800000e+00 -2.9054600000e+00  2.7941800000e+00 -1.2256140000e+01  1.7233500000e+00 -7.6991000000e-01 -1.1936990000e+01  1.9540800000e+00 -1.6423400000e+00 -1.2234700000e+01  2.5460900000e+00 -2.8117000000e-01 -1.4146700000e+00  1.3322300000e+00  1.8613600000e+00 -1.3576400000e+00  1.1841100000e+00  9.1741000000e-01 -1.2528800000e+00  2.2696700000e+00  1.9673900000e+00 -1.5955400000e+00  1.9318500000e+00 -9.8426000000e-01 -2.0628800000e+00  2.6931800000e+00 -1.3280700000e+00 -7.9595000000e-01  1.8843000000e+00 -1.5082900000e+00
ENERGY -9.171709406161e+02
EMD0 -3.180543340000e+02
FORCES  -2.6904000000e-03  7.2202000000e-03  7.8083000000e-03 -5.7853000000e-03 -1.1510000000e-02 -8.8674000000e-03  8.6067000000e-03  7.7153000000e-03  5.6424000000e-03 -9.5716000000e-03 -3.0942000000e-03  2.9787000000e-03 -6.1540000000e-03 -1.8361000000e-03 -2.1773000000e-03  1.4761400000e-02  7.8981000000e-03  3.0627000000e-03 -9.3101000000e-03 -3.2189000000e-03  9.5200000000e-03  2.1157000000e-02 -4.2039000000e-03 -7.6459000000e-03 -9.7944000000e-03  9.4012000000e-03 -1.0006400000e-02 -9.3028000000e-03 -7.3590000000e-03  8.0820000000e-03  1.5863200000e-02  6.6849000000e-03 -9.4558000000e-03 -4.4827000000e-03 -3.7745000000e-03  2.5430000000e-04  6.3818000000e-03 -1.0752100000e-02  8.0191000000e-03  3.6697000000e-03 -5.8616000000e-03  2.1072000000e-03 -8.7979000000e-03  1.0385300000e-02 -1.2666900000e-02  7.0100000000e-04 -9.5160000000e-04  3.7059000000e-03  2.1080000000e-03 -2.9809000000e-03  3.8150000000e-03 -2.8263000000e-03  7.1534000000e-03 -8.7629000000e-03 -4.0745000000e-03  1.1796900000e-02 -1.0047100000e-02 -9.0100000000e-04 -1.4847900000e-02  1.2865400000e-02 -2.6358000000e-03  5.8712000000e-03 -1.9552000000e-03 -3.3301000000e-03  7.0682000000e-03  7.4032000000e-03 -1.5469000000e-03  3.0697000000e-03  6.1607000000e-03  8.4997000000e-03 -1.1201800000e-02 -1.8154200000e-02 -2.4018000000e-03 -5.2300000000e-04 -5.1485000000e-03 -4.1982000000e-03 -4.0120000000e-04  1.6205700000e-02  4.7116000000e-03 -8.4650000000e-04 -7.8685000000e-03 -8.8450000000e-04 -3.4128000000e-03  1.0195000000e-03 -6.4540000000e-04  3.8200000000e-03  4.1456000000e-03  1.5326000000e-03 -3.9560000000e-04 -5.1703000000e-03  4.2900000000e-05 -2.2283000000e-03 -4.5898000000e-03  4.4224000000e-03 -1.2892000000e-03  1.1923600000e-02 -7.9490000000e-04 -3.8900000000e-04 -2.5210000000e-03  4.1830000000e-04  5.5950000000e-04 -4.8530000000e-03  2.6579000000e-03 -6.4800000000e-05 -2.0252000000e-03 -5.4055000000e-03  2.4989000000e-03  7.1962000000e-03

JOB 200
COORDS   1.5383600000e+00  3.4500000000e-03 -2.3788900000e+00  2.1765600000e+00  3.8252000000e-01 -1.7745400000e+00  1.9062700000e+00 -8.4863000000e-01 -2.6130500000e+00  4.8883600000e+00 -1.9182800000e+00 -8.5062000000e-01  5.7097400000e+00 -1.7358900000e+00 -3.9421000000e-01  4.9936600000e+00 -2.8078600000e+00 -1.1879300000e+00  1.2885500000e+00 -1.4421200000e+00  9.6027000000e-01  5.2100000000e-01 -1.0475100000e+00  1.3742500000e+00  1.7161900000e+00 -1.9304700000e+00  1.6637400000e+00  4.6140200000e+00 -3.2282000000e-01  2.0449900000e+00  5.3015600000e+00  3.1849000000e-01  2.2245300000e+00  4.0389300000e+00  1.1183000000e-01  1.4152400000e+00 -9.8597000000e-01  5.4178000000e-01 -1.2860500000e+00 -1.2960200000e+00 -3.0397000000e-01 -1.6097900000e+00 -1.1398000000e-01  6.4009000000e-01 -1.6684300000e+00  3.1539400000e+00  2.3186000000e-01 -1.8613000000e-01  3.7205500000e+00 -5.2131000000e-01 -3.5324000000e-01  2.3426200000e+00 -1.4825000000e-01  1.5077000000e-01 -7.6637000000e-01  5.5308000000e-01  1.5153800000e+00 -3.6050000000e-01  1.3950500000e+00  1.7217600000e+00 -9.2560000000e-01  5.8820000000e-01  5.7217000000e-01  1.4582200000e+00 -3.1255500000e+00 -1.4522700000e+00  6.7662000000e-01 -3.6576600000e+00 -1.3032300000e+00  1.6635600000e+00 -2.7550300000e+00 -5.9391000000e-01  2.7131900000e+00 -2.4850900000e+00  2.9194800000e+00  2.6997200000e+00 -3.1163200000e+00  3.6389200000e+00  3.5011600000e+00 -1.9636200000e+00  3.0724600000e+00 -1.6572100000e+01  1.6306400000e+00 -1.4612100000e+00 -1.6410440000e+01  1.9791000000e+00 -5.8447000000e-01 -1.5923330000e+01  9.3473000000e-01 -1.5662600000e+00  3.7287000000e-01  3.1695900000e+00  8.9294000000e-01 -2.4341000000e-01  3.4140900000e+00  2.0254000000e-01  1.1980500000e+00  3.5800700000e+00  6.3444000000e-01 -1.8759200000e+00  3.2859400000e+00 -8.2708000000e-01 -2.3715900000e+00  3.1162400000e+00 -2.6000000000e-02 -1.7643600000e+00  2.4236900000e+00 -1.2274700000e+00
ENERGY -9.171675844384e+02
EMD0 -3.112135600000e+02
FORCES   6.0872000000e-03 -4.8641000000e-03  8.4229000000e-03 -9.3145000000e-03 -4.8884000000e-03 -6.8573000000e-03  6.3228000000e-03  6.8608000000e-03 -3.0550000000e-04 -6.9046000000e-03  1.1440000000e-04 -1.1556000000e-03 -5.9340000000e-04 -4.1833000000e-03 -4.7796000000e-03  8.6455000000e-03  2.0351000000e-03  3.8772000000e-03  1.5242000000e-03  2.9959000000e-03  1.0603100000e-02  1.1676700000e-02 -1.3735700000e-02  2.2458000000e-03 -1.0730800000e-02  5.1218000000e-03 -8.5675000000e-03 -1.0928700000e-02  4.0196000000e-03 -1.0584300000e-02 -2.6260000000e-03  1.3455000000e-03 -5.1677000000e-03  1.2579900000e-02 -4.2290000000e-03  9.7290000000e-03  1.3926200000e-02 -5.4356000000e-03 -3.7106000000e-03  1.2341000000e-03  1.0454000000e-03  9.2200000000e-05 -1.4847500000e-02  5.3961000000e-03  6.1181000000e-03 -7.2449000000e-03 -1.4355900000e-02  2.1620000000e-04 -5.0021000000e-03  1.0965100000e-02  1.1140900000e-02  1.4162500000e-02  9.5102000000e-03 -1.1228000000e-02  9.6870000000e-04  7.3421000000e-03 -9.5772000000e-03 -6.4006000000e-03 -5.9514000000e-03 -1.4021000000e-03  1.3895000000e-03  1.3745000000e-03  1.2481800000e-02 -2.4761000000e-03  5.4379000000e-03  4.6582000000e-03  1.8256000000e-03  5.2260000000e-04  3.1238000000e-03  1.3656000000e-03 -1.0707700000e-02 -6.6577000000e-03 -5.6861000000e-03  7.8669000000e-03 -1.1709200000e-02  6.8213000000e-03  3.8764000000e-03  1.2319000000e-03 -6.3746000000e-03 -1.2492400000e-02  9.2481000000e-03 -2.8399000000e-03  1.2768000000e-03 -2.4427000000e-03  3.1667000000e-03 -4.3713000000e-03 -2.1350000000e-03 -3.2910000000e-04  3.0914000000e-03  4.5788000000e-03 -7.4324000000e-03 -5.1340000000e-04 -2.8735000000e-03  1.3636800000e-02 -4.1710000000e-04  8.4913000000e-03 -4.6976000000e-03  2.2979000000e-03 -4.9832000000e-03 -3.1470000000e-03 -3.9578000000e-03 -6.7700000000e-03  5.1128000000e-03 -2.7100000000e-03 -2.1678000000e-03 -2.8700000000e-03  1.0316800000e-02  6.8149000000e-03

JOB 201
COORDS   1.0998900000e+00 -8.7932000000e-01 -3.8141900000e+00  9.9209000000e-01 -1.5972000000e+00 -3.1902900000e+00  6.2724000000e-01 -1.1671300000e+00 -4.5952100000e+00  1.1123500000e+00 -3.2188800000e+00 -2.0707100000e+00  1.2121500000e+00 -4.1135900000e+00 -2.3959300000e+00  1.3243000000e+00 -3.2771300000e+00 -1.1390900000e+00  1.3115700000e+00 -2.6866000000e-01  1.6795100000e+00  1.2352800000e+00  6.4968000000e-01  1.4205600000e+00  1.7718300000e+00 -2.4402000000e-01  2.5184300000e+00  5.2108100000e+00 -7.5108000000e-01  1.2543000000e+00  5.8535500000e+00 -1.0568900000e+00  6.1431000000e-01  4.3867700000e+00 -7.1537000000e-01  7.6858000000e-01  2.1948200000e+00  1.1190300000e+00 -2.1607000000e+00  2.3512500000e+00  1.8403800000e+00 -2.7701500000e+00  2.0529800000e+00  3.5692000000e-01 -2.7222300000e+00  3.2472600000e+00 -8.2811000000e-01 -4.0503000000e-01  3.0377200000e+00 -1.4869000000e-01 -1.0459000000e+00  2.6095500000e+00 -7.0041000000e-01  2.9729000000e-01  1.6054300000e+00  2.2111700000e+00  4.8987000000e-01  6.9875000000e-01  1.9618100000e+00  3.1105000000e-01  2.0766700000e+00  1.9961700000e+00 -3.1507000000e-01  1.7852400000e+00 -3.1404900000e+00  5.2753000000e-01  2.3865400000e+00 -2.4729200000e+00  1.9736000000e-01  1.7969200000e+00 -3.0251900000e+00  1.4776900000e+00  3.6331200000e+00  5.2920000000e-01  3.0538000000e+00  3.8989100000e+00  1.4187800000e+00  2.8209100000e+00  4.3586000000e+00 -2.2410000000e-02  2.7611400000e+00 -1.9724530000e+01  1.3601200000e+00 -2.1395600000e+00 -2.0619280000e+01  1.5532800000e+00 -1.8596700000e+00 -1.9262710000e+01  1.1384100000e+00 -1.3309800000e+00 -8.9735000000e-01  1.1476600000e+00  4.2421000000e-01 -6.9499000000e-01  2.1739000000e-01  5.2365000000e-01 -1.1115100000e+00  1.4426200000e+00  1.3092800000e+00 -6.0010000000e-01  2.6914000000e+00  3.1590500000e+00  3.4323000000e-01  2.8411700000e+00  3.0963500000e+00 -9.7127000000e-01  3.5600700000e+00  3.3135400000e+00
ENERGY -9.171486953302e+02
EMD0 -2.948665990000e+02
FORCES  -3.3110000000e-04 -2.0301000000e-03  2.6331000000e-03 -2.2652000000e-03  1.2911500000e-02 -1.1947500000e-02 -1.3681000000e-03 -5.9147000000e-03  3.2992000000e-03  1.0613000000e-03  1.6587000000e-03  1.3661100000e-02  9.8390000000e-04 -6.2010000000e-04  5.1084000000e-03  6.0160000000e-03 -1.7605000000e-03 -1.1574100000e-02  4.5426000000e-03  1.6982900000e-02  2.5557000000e-03 -9.2567000000e-03 -1.0200900000e-02  2.0691000000e-03 -8.3610000000e-03 -1.9837000000e-03 -4.3527000000e-03 -1.4965400000e-02  6.7980000000e-04 -1.3320100000e-02 -3.0113000000e-03  6.5140000000e-04 -3.3711000000e-03  2.1106000000e-03 -1.7924000000e-03  1.3046100000e-02 -9.6031000000e-03 -5.4220000000e-03 -4.9256000000e-03 -7.8820000000e-04 -3.1809000000e-03 -1.7058000000e-03  1.3418200000e-02  8.7547000000e-03  1.1557100000e-02  3.1752000000e-03  9.1640000000e-03  7.6920000000e-04 -3.0282000000e-03 -7.9556000000e-03  7.2313000000e-03  1.8784300000e-02 -9.2620000000e-03 -1.2446300000e-02 -1.0398700000e-02 -3.4572000000e-03 -7.5003000000e-03  1.8686000000e-02 -3.9374000000e-03  8.1511000000e-03 -3.4119000000e-03  1.2137000000e-03  4.5493000000e-03 -6.2713000000e-03  2.2359000000e-03 -4.0169000000e-03 -7.1410000000e-03 -2.7433000000e-03  5.3904000000e-03  7.5203000000e-03  3.0605000000e-03 -1.5032000000e-03  5.3231000000e-03 -4.3691000000e-03 -6.8943000000e-03  3.2869000000e-03 -2.2466000000e-03  6.9130000000e-04 -8.2459000000e-03  7.2805000000e-03  3.0470000000e-03  1.3771000000e-03  2.6740000000e-04 -3.3359000000e-03  4.0784000000e-03 -1.4692000000e-03  3.4939000000e-03 -5.4559000000e-03  1.2019000000e-03 -1.5690000000e-04 -1.5764000000e-03 -7.6300000000e-05  3.6890000000e-04  5.5760000000e-04  6.6344000000e-03  3.0980000000e-03  4.6829000000e-03 -7.2009000000e-03 -8.6031000000e-03 -3.7620000000e-04 -3.5410000000e-04  2.8302000000e-03 -5.3146000000e-03  3.8141000000e-03  1.9716000000e-03  5.5660000000e-03 -5.3470000000e-04  1.3170000000e-04

JOB 202
COORDS   1.1097900000e+00 -1.3808000000e+00 -3.7333300000e+00  1.5212300000e+00 -1.8634600000e+00 -4.4502600000e+00  1.3739700000e+00 -1.8527300000e+00 -2.9435800000e+00 -9.0588000000e-01 -3.3869000000e-01 -1.6791500000e+00 -9.6218000000e-01 -3.2010000000e-01 -2.6345100000e+00 -1.0677000000e-01 -8.3254000000e-01 -1.4954000000e+00  2.9446100000e+00 -4.1621000000e-01  3.9080500000e+00  3.8280500000e+00 -2.3720000000e-01  3.5860000000e+00  3.0762000000e+00 -9.8728000000e-01  4.6648800000e+00  5.4614800000e+00 -4.1275000000e-01  2.6794300000e+00  5.6725200000e+00 -9.2733000000e-01  3.4584700000e+00  4.8829600000e+00 -9.7821000000e-01  2.1677700000e+00  2.5680400000e+00  1.1204500000e+00 -3.1992300000e+00  2.4119100000e+00  2.0620200000e+00 -3.2720200000e+00  1.7180900000e+00  7.2120000000e-01 -3.3847900000e+00  3.4473900000e+00 -1.4629800000e+00  1.3790600000e+00  3.1507800000e+00 -9.0335000000e-01  6.6138000000e-01  2.7324700000e+00 -1.4368200000e+00  2.0150100000e+00  2.4119000000e+00  3.3319000000e-01 -5.0775000000e-01  1.6013100000e+00  7.4157000000e-01 -2.0375000000e-01  2.5656800000e+00  7.1820000000e-01 -1.3705100000e+00  1.5529900000e+00 -2.1184000000e+00 -1.0338000000e+00  1.8851700000e+00 -1.2352200000e+00 -8.7297000000e-01  1.8564000000e+00 -2.6292800000e+00 -2.8335000000e-01  4.0078800000e+00  1.7259400000e+00  1.4840200000e+00  3.5073500000e+00  1.2526200000e+00  8.1944000000e-01  4.6093400000e+00  1.0728800000e+00  1.8417900000e+00 -2.1919600000e+01  9.0856000000e-01 -2.8345500000e+00 -2.1893060000e+01  1.6002200000e+00 -3.4957100000e+00 -2.2650280000e+01  1.1490200000e+00 -2.2648900000e+00  3.0660000000e-02  8.3033000000e-01  5.0746000000e-01 -6.9527000000e-01  6.0235000000e-01 -7.3310000000e-02 -3.7685000000e-01  9.5042000000e-01  1.3652200000e+00 -6.4829000000e-01  1.2875500000e+00  2.9888700000e+00  2.9185000000e-01  1.3810100000e+00  3.1426000000e+00 -9.5514000000e-01  7.3456000000e-01  3.7073900000e+00
ENERGY -9.171539797187e+02
EMD0 -2.857110290000e+02
FORCES   1.6348000000e-03 -4.2727000000e-03  4.5596000000e-03  6.8490000000e-04 -3.6033000000e-03  4.8716000000e-03 -7.5960000000e-04  6.4587000000e-03 -1.3285400000e-02  5.2350000000e-04 -3.0830000000e-03  3.6719000000e-03  3.0756000000e-03  2.0400000000e-04  2.9872000000e-03 -1.6072000000e-03  1.0268000000e-02 -4.0635000000e-03  9.9330000000e-03  1.0010700000e-02 -6.6906000000e-03 -5.6780000000e-03 -1.5095400000e-02  6.9100000000e-03  5.6960000000e-03  2.1930000000e-04 -4.8888000000e-03 -7.0557000000e-03 -1.2259000000e-03 -1.7231300000e-02 -1.2410700000e-02 -2.1053000000e-03 -1.9285000000e-03  8.4990000000e-03  1.0078500000e-02  1.9500600000e-02  3.9690000000e-03 -7.2284000000e-03 -9.2505000000e-03 -5.4582000000e-03 -5.4832000000e-03  1.3237000000e-03  2.8561000000e-03  1.4866300000e-02  7.1248000000e-03  4.2483000000e-03  1.3517900000e-02  3.6280000000e-03 -3.2669000000e-03 -9.3905000000e-03  9.4692000000e-03  1.4765000000e-03 -3.0082000000e-03 -1.0287600000e-02 -9.8726000000e-03  3.4928000000e-03 -1.2370000000e-03  2.1334100000e-02 -3.7656000000e-03 -1.7390900000e-02 -1.3658800000e-02 -2.1011000000e-03  1.7970700000e-02  8.3377000000e-03  1.1229900000e-02  6.8748000000e-03 -8.2376000000e-03 -1.5520800000e-02 -2.2032000000e-03  1.1448000000e-03  6.7937000000e-03  1.5491000000e-03  1.6021000000e-03 -1.8678000000e-03  8.8100000000e-05  4.5190000000e-03 -1.8774000000e-03  6.2535000000e-03 -7.6280000000e-03 -3.6443000000e-03 -6.8955000000e-03  2.1861000000e-03 -3.0681000000e-03  2.5850000000e-04 -3.7247000000e-03 -5.8700000000e-05  4.1334000000e-03  1.5386000000e-03  3.1274000000e-03 -4.3922000000e-03 -5.6210000000e-04  5.1070000000e-04  7.0291000000e-03  4.0260000000e-04  9.6620000000e-04  1.3961600000e-02  3.3000000000e-06 -3.1270000000e-03 -1.1987100000e-02 -1.7852000000e-03  1.2464000000e-03 -9.1442000000e-03 -7.5562000000e-03 -5.1243000000e-03 -2.0414000000e-03  5.5965000000e-03  1.6607000000e-03  7.5240000000e-04

JOB 203
COORDS  -7.9856000000e-01 -2.7373100000e+00 -2.1130300000e+00 -7.0149000000e-01 -3.6895700000e+00 -2.1154500000e+00  7.3070000000e-02 -2.4066700000e+00 -2.3302200000e+00 -1.0866800000e+00 -8.2355000000e-01  1.3320000000e-01 -9.9044000000e-01 -1.4953200000e+00 -5.4185000000e-01 -1.7726500000e+00 -2.4505000000e-01 -2.0000000000e-01  3.3798000000e+00  9.2741000000e-01  3.3197400000e+00  3.0283000000e+00  1.1717900000e+00  4.1758700000e+00  3.3606600000e+00 -2.9590000000e-02  3.3167400000e+00  6.3539500000e+00 -8.2794000000e-01  2.8794200000e+00  5.9600500000e+00 -8.7840000000e-02  2.4175600000e+00  6.7713600000e+00 -1.3457600000e+00  2.1910400000e+00  6.1622000000e-01  8.0285000000e-01 -3.1127900000e+00  8.3088000000e-01  1.2144900000e+00 -2.2757000000e+00  3.6562000000e-01  1.5311700000e+00 -3.6811000000e+00  5.0461500000e+00  9.4982000000e-01  1.1822400000e+00  4.7565700000e+00  1.4545300000e+00  4.2222000000e-01  4.3723900000e+00  1.1049400000e+00  1.8442200000e+00  3.4233800000e+00  2.2844800000e+00 -1.0000900000e+00  2.6041000000e+00  1.9108000000e+00 -6.7550000000e-01  3.1819700000e+00  3.1560000000e+00 -1.3138000000e+00  1.6222300000e+00 -1.8059400000e+00 -3.0911400000e+00  1.3313300000e+00 -8.9433000000e-01 -3.0672900000e+00  2.5017700000e+00 -1.7674300000e+00 -3.4668700000e+00  3.5280100000e+00 -1.7595500000e+00  3.2840000000e+00  3.4417500000e+00 -2.3355400000e+00  2.5243800000e+00  4.4256800000e+00 -1.4308500000e+00  3.2352400000e+00 -2.3104790000e+01  3.4990000000e-01 -3.7726400000e+00 -2.3340810000e+01  1.0471900000e+00 -3.1608200000e+00 -2.2171620000e+01  2.0181000000e-01 -3.6193300000e+00  8.9883000000e-01  1.2894900000e+00 -2.3213000000e-01  5.7691000000e-01  3.9066000000e-01 -3.0072000000e-01  6.1308000000e-01  1.5813500000e+00  6.3355000000e-01  1.4826000000e-01  1.3088200000e+00  2.5442400000e+00 -5.0014000000e-01  6.0634000000e-01  2.5925300000e+00  8.6985000000e-01  1.0077300000e+00  3.0964000000e+00
ENERGY -9.171524008838e+02
EMD0 -2.956079040000e+02
FORCES   5.2832000000e-03 -1.0501000000e-03 -1.0905900000e-02  3.9255000000e-03  1.5520000000e-03 -1.1439000000e-03 -1.0643200000e-02 -8.8870000000e-04  1.0201300000e-02 -4.5732000000e-03 -1.0831500000e-02 -1.9935000000e-03  1.1064000000e-03  1.6120900000e-02  7.2944000000e-03  2.7926000000e-03 -1.9426000000e-03 -1.1678000000e-03  9.3383000000e-03 -8.6782000000e-03 -4.9499000000e-03 -5.3340000000e-03 -8.1281000000e-03 -1.7335000000e-03  8.0477000000e-03  1.4286700000e-02  3.4954000000e-03  7.8580000000e-03  1.0975700000e-02 -5.3649000000e-03 -3.0843000000e-03 -1.3463900000e-02  9.4859000000e-03 -2.5898000000e-03  1.3274000000e-03 -5.3560000000e-04 -1.3950000000e-03 -2.5550000000e-03 -3.0220000000e-04 -7.7240000000e-04 -2.7559000000e-03 -1.1701600000e-02  1.2501000000e-03  4.2268000000e-03  6.4723000000e-03 -1.2110000000e-03  3.9365000000e-03 -7.2620000000e-04 -1.9519000000e-03 -3.0562000000e-03  1.1664100000e-02  5.7609000000e-03 -6.8627000000e-03 -8.5921000000e-03 -6.6957000000e-03 -4.0469000000e-03  1.2719000000e-03  1.1313000000e-02  1.0617600000e-02 -5.6439000000e-03 -5.4920000000e-03 -2.9037000000e-03  5.2760000000e-04 -5.2660000000e-03  1.8257000000e-03 -2.7730000000e-03  7.8667000000e-03 -1.3583000000e-02  5.7379000000e-03 -1.3223000000e-03  6.8633000000e-03 -7.4830000000e-04  4.9731000000e-03  1.3480000000e-04  1.9775000000e-03  5.0245000000e-03  7.3920000000e-04  1.0515000000e-03 -2.3150800000e-02  6.3641000000e-03 -4.5746000000e-03 -2.1810000000e-03 -1.7724000000e-03 -2.5242000000e-03  5.2452000000e-03 -2.0711000000e-03 -3.4070000000e-04 -3.0636000000e-03  3.8436000000e-03  2.8647000000e-03 -7.7661000000e-03 -4.6517000000e-03  1.5558300000e-02  5.9926000000e-03  8.9929000000e-03 -5.4195000000e-03  1.9379000000e-03 -2.4941000000e-03 -1.3271900000e-02  2.2513000000e-03  9.6210000000e-04 -2.5100000000e-05  5.2500000000e-03  1.8296000000e-03  4.2032000000e-03 -8.7248000000e-03 -2.8631000000e-03  2.6320000000e-03

JOB 204
COORDS  -4.8399000000e-01 -2.5772900000e+00  2.3066700000e+00  3.2066000000e-01 -2.1689700000e+00  2.6261000000e+00 -1.9488000000e-01 -3.3986500000e+00  1.9091700000e+00 -4.2428000000e-01 -2.5606000000e-01  5.0695000000e-01 -4.4903000000e-01 -1.1713700000e+00  7.8593000000e-01 -1.1701000000e+00  1.4977000000e-01  9.4887000000e-01  2.2729400000e+00 -1.5871800000e+00  2.1451300000e+00  3.1016700000e+00 -1.9287900000e+00  2.4809000000e+00  2.1338300000e+00 -2.0592000000e+00  1.3241000000e+00  5.4495700000e+00 -4.4021000000e-01  1.8861600000e+00  5.7743500000e+00  3.8505000000e-01  1.5260100000e+00  6.1999800000e+00 -1.0328600000e+00  1.8426900000e+00  5.3408000000e-01  1.6776500000e+00 -2.7335500000e+00  3.5160000000e-01  2.0350500000e+00 -1.8645300000e+00 -2.6145000000e-01  1.2000000000e+00 -2.9685000000e+00  5.4027000000e+00  2.1926800000e+00  1.0943500000e+00  5.1400300000e+00  2.2209400000e+00  1.7433000000e-01  4.5788900000e+00  2.2294400000e+00  1.5803700000e+00  3.6970600000e+00  2.2329900000e+00 -1.2726600000e+00  2.9542200000e+00  2.3072400000e+00 -6.7357000000e-01  3.3883900000e+00  2.6284800000e+00 -2.0878500000e+00  1.3253200000e+00 -8.3914000000e-01 -1.8553300000e+00  8.2941000000e-01 -6.9141000000e-01 -1.0500500000e+00  1.4937900000e+00  3.8650000000e-02 -2.1978700000e+00  1.4751800000e+00 -2.9341400000e+00 -8.7400000000e-02  1.8020500000e+00 -2.5010900000e+00 -8.7598000000e-01  9.7808000000e-01 -3.6841100000e+00 -4.1400000000e-01 -2.2809310000e+01 -3.0770000000e-01 -4.4444500000e+00 -2.3026200000e+01 -7.3920000000e-01 -5.2708900000e+00 -2.3657000000e+01 -7.6370000000e-02 -4.0648000000e+00  1.2887500000e+00  1.8912800000e+00  3.1140000000e-02  6.9408000000e-01  1.1412300000e+00  2.6660000000e-02  1.6534900000e+00  1.9030800000e+00  9.1605000000e-01  2.4302300000e+00  1.0732100000e+00  2.4129000000e+00  2.4630200000e+00  1.0510200000e+00  3.3692800000e+00  2.4027600000e+00  1.5258000000e-01  2.1523000000e+00
ENERGY -9.171583040014e+02
EMD0 -2.917448950000e+02
FORCES   4.6111000000e-03 -1.2629000000e-03  6.7403000000e-03 -9.1640000000e-03 -4.9971000000e-03 -5.3946000000e-03  1.8659000000e-03  2.3534000000e-03  1.8800000000e-05  3.9877000000e-03 -6.1237000000e-03  5.4505000000e-03 -3.1561000000e-03  1.2770800000e-02 -7.1641000000e-03  9.8520000000e-04 -3.3951000000e-03  9.0400000000e-05  4.8940000000e-04  3.9499000000e-03 -1.0691700000e-02 -5.5996000000e-03 -4.5026000000e-03 -3.4628000000e-03  5.5490000000e-03  4.6420000000e-03  1.3242800000e-02 -2.6209000000e-03  1.6859700000e-02 -4.1796000000e-03  5.9649000000e-03 -1.8405200000e-02  3.8950000000e-03 -1.3080000000e-04  4.5032000000e-03 -1.9319000000e-03  3.1982000000e-03  2.5096000000e-03  1.0900000000e-05 -6.5569000000e-03 -8.8113000000e-03 -5.9890000000e-03  1.5614000000e-03  1.7586000000e-03  6.6948000000e-03 -4.2304000000e-03  2.0584000000e-03 -4.5265000000e-03  2.2286000000e-03 -1.3016000000e-03  1.2320700000e-02  3.9933000000e-03  1.5025000000e-03 -5.1744000000e-03 -1.0248000000e-02 -5.4453000000e-03  9.3910000000e-04  1.1162200000e-02  7.8920000000e-03 -4.6150000000e-04 -2.8356000000e-03  7.7910000000e-04  3.2794000000e-03 -1.2823000000e-03  1.3422100000e-02 -5.3169000000e-03  5.7395000000e-03 -1.5695000000e-03 -2.4771000000e-03 -4.4088000000e-03 -7.4708000000e-03  7.4503000000e-03  2.8138000000e-03  7.0863000000e-03 -1.1428000000e-03 -5.0509000000e-03 -1.2559100000e-02  1.0029900000e-02  7.9970000000e-04  2.8338000000e-03 -3.5664000000e-03  3.6246000000e-03  4.6330000000e-04  1.4508000000e-03 -4.1437000000e-03  2.0419000000e-03  3.5443000000e-03  5.1760000000e-04 -2.5046000000e-03 -4.9953000000e-03  3.9367000000e-03 -1.1309700000e-02  8.8532000000e-03  5.7810000000e-04  9.5666000000e-03 -4.7183000000e-03 -1.9767000000e-03  7.3240000000e-04 -1.5304300000e-02 -3.4460000000e-04 -1.8008200000e-02 -3.5013000000e-03 -1.0530000000e-04 -5.0662000000e-03 -7.9630000000e-04 -1.7522000000e-03  1.5007200000e-02  6.7837000000e-03

JOB 205
COORDS  -1.3512000000e-01 -3.5914000000e-01  2.4305800000e+00  7.8650000000e-01 -4.2190000000e-01  2.1797700000e+00 -4.8839000000e-01 -1.2336200000e+00  2.2671400000e+00 -8.9921000000e-01  1.6953200000e+00  7.1760000000e-01 -6.2146000000e-01  1.0282200000e+00  1.3453400000e+00 -1.6646200000e+00  2.1026200000e+00  1.1231600000e+00  2.0620700000e+00 -3.5655800000e+00  6.1896000000e-01  2.4539700000e+00 -4.4159900000e+00  4.2037000000e-01  1.1196400000e+00 -3.7326600000e+00  6.3137000000e-01  7.9114100000e+00  1.0628900000e+00  5.3166000000e-01  7.8135900000e+00  1.0301000000e+00 -4.1996000000e-01  8.7890000000e+00  1.4189300000e+00  6.7057000000e-01  1.6203600000e+00 -5.9112000000e-01 -1.7236500000e+00  1.6683800000e+00  3.5298000000e-01 -1.5733500000e+00  1.6248200000e+00 -9.7431000000e-01 -8.4651000000e-01  4.9449300000e+00  8.4636000000e-01  1.0680700000e+00  4.7420600000e+00  1.7604300000e+00  8.6922000000e-01  5.8202100000e+00  7.1039000000e-01  7.0528000000e-01  3.6062500000e+00  3.4412000000e+00  7.9151000000e-01  2.9228700000e+00  3.0254500000e+00  2.6579000000e-01  3.4696000000e+00  4.3799400000e+00  6.6373000000e-01 -1.0872500000e+00 -3.5461000000e-01 -1.2297200000e+00 -1.0547500000e+00  3.7300000000e-01 -6.0862000000e-01 -1.8576000000e-01 -4.4766000000e-01 -1.5377400000e+00 -9.8159000000e-01 -2.4667500000e+00  8.2884000000e-01 -9.8534000000e-01 -2.0143000000e+00 -1.4670000000e-02 -1.9071800000e+00 -2.5701200000e+00  1.0498400000e+00 -2.1472370000e+01 -1.1349700000e+00 -4.8237400000e+00 -2.0596080000e+01 -1.1183800000e+00 -5.2085300000e+00 -2.1805250000e+01 -2.4595000000e-01 -4.9465000000e+00  1.7291500000e+00  1.8797600000e+00 -4.2473000000e-01  8.6925000000e-01  2.2577900000e+00 -2.4063000000e-01  1.8889200000e+00  1.2804500000e+00  3.0433000000e-01  2.6426300000e+00 -5.2834000000e-01  1.2724000000e+00  3.4117500000e+00  1.8420000000e-02  1.1119500000e+00  2.8744000000e+00 -1.3819100000e+00  9.0644000000e-01
ENERGY -9.171634086315e+02
EMD0 -3.088785430000e+02
FORCES   1.0893000000e-03 -1.2882100000e-02 -1.8046000000e-03 -1.4811100000e-02  1.1202000000e-03 -7.6280000000e-04  4.0238000000e-03  4.9620000000e-03  7.7972000000e-03  2.2253000000e-03 -1.0281900000e-02  8.2577000000e-03 -6.3479000000e-03  1.7702500000e-02 -1.6605800000e-02  1.5328000000e-03 -4.2052000000e-03  3.7446000000e-03 -6.0100000000e-04  6.8430000000e-04  2.1839000000e-03 -6.3463000000e-03 -6.7480000000e-04  4.5400000000e-04  8.7743000000e-03 -6.9607000000e-03 -2.9683000000e-03  1.7318000000e-03  3.8780000000e-04  7.3050000000e-03  3.6390000000e-04  1.4319000000e-03  4.6752000000e-03 -8.1070000000e-04 -1.0193000000e-03 -7.2248000000e-03  8.0350000000e-03  6.7970000000e-03  2.1530000000e-03 -7.6050000000e-03 -1.1506000000e-02  1.1479000000e-03 -7.2108000000e-03  5.1717000000e-03 -3.6666000000e-03  2.4010000000e-03 -5.6320000000e-04  7.8873000000e-03  3.1538000000e-03 -1.3930200000e-02 -5.4384000000e-03 -6.2012000000e-03  5.4155000000e-03 -7.0839000000e-03 -5.7488000000e-03 -5.2173000000e-03 -2.1793000000e-03  8.3725000000e-03  8.4738000000e-03  8.7833000000e-03 -6.4455000000e-03 -2.7114000000e-03 -3.7628000000e-03  7.3508000000e-03  1.2260800000e-02 -7.0408000000e-03  7.4618000000e-03 -1.0286000000e-02 -4.6965000000e-03 -9.0295000000e-03  4.3980000000e-03  1.5146800000e-02  6.1840000000e-04  1.0978200000e-02 -8.5932000000e-03 -4.4400000000e-04 -1.4892300000e-02  1.1546600000e-02  2.2258000000e-03  4.1048000000e-03 -6.7320000000e-04 -1.9822000000e-03 -2.9553000000e-03  1.6511000000e-03 -3.3116000000e-03  4.5135000000e-03  2.6770000000e-04  5.2928000000e-03 -1.5578000000e-03 -1.9187000000e-03 -4.2299000000e-03 -3.3834000000e-03  2.0114000000e-03  1.2496900000e-02 -1.3866000000e-03 -5.1260000000e-04 -6.5760000000e-04  1.0459600000e-02 -6.9609000000e-03  2.1182100000e-02  3.8390000000e-04  7.2074000000e-03 -2.0225800000e-02 -5.7640000000e-03 -6.6696000000e-03  3.6767000000e-03  1.0932300000e-02 -3.6574000000e-03

JOB 206
COORDS   9.9598000000e-01  3.5468000000e-01  2.8432200000e+00  1.4237000000e+00 -2.1878000000e-01  2.2072700000e+00  1.3067300000e+00  4.3990000000e-02  3.6936000000e+00 -5.9817000000e-01  1.6509500000e+00  9.3004000000e-01 -2.1666000000e-01  1.3864900000e+00  1.7671400000e+00 -1.2059400000e+00  2.3553400000e+00  1.1551500000e+00  7.1527000000e-01 -3.0442400000e+00  1.4493700000e+00  6.4932000000e-01 -3.9136500000e+00  1.8443600000e+00 -1.6658000000e-01 -2.6794400000e+00  1.5235100000e+00  7.4101100000e+00  3.3270800000e+00  1.1212300000e+00  8.3144300000e+00  3.1819400000e+00  8.4307000000e-01  6.9333000000e+00  2.5638300000e+00  7.9517000000e-01 -1.3390000000e-01  1.2360100000e+00 -2.4311000000e+00  5.5974000000e-01  1.4869500000e+00 -1.8210800000e+00  3.0973000000e-01  7.0803000000e-01 -3.0949300000e+00  5.3372000000e+00 -1.2449200000e+00 -2.0609000000e-01  5.3235100000e+00 -2.8808000000e-01 -2.2858000000e-01  6.2390700000e+00 -1.4772900000e+00 -4.2712000000e-01  5.1368800000e+00  1.5786200000e+00 -1.8130000000e-02  4.3794900000e+00  1.6317900000e+00 -6.0103000000e-01  4.7730700000e+00  1.6962300000e+00  8.5940000000e-01 -2.0527700000e+00 -1.7172000000e-01 -7.0372000000e-01 -1.6079700000e+00  3.9955000000e-01 -7.7590000000e-02 -1.6682300000e+00  5.4850000000e-02 -1.5504900000e+00 -2.1234300000e+00 -2.1399400000e+00  1.2418800000e+00 -2.2609700000e+00 -1.4674700000e+00  5.7473000000e-01 -3.0030200000e+00 -2.4549600000e+00  1.4500200000e+00 -1.8739990000e+01 -1.7587700000e+00 -4.7933200000e+00 -1.8623700000e+01 -2.6740200000e+00 -4.5383200000e+00 -1.8879280000e+01 -1.7892000000e+00 -5.7398400000e+00  1.7626400000e+00  1.3386100000e+00 -3.8241000000e-01  1.1028100000e+00  1.4708900000e+00  2.9830000000e-01  1.9753900000e+00  4.0668000000e-01 -3.3255000000e-01  2.2438900000e+00 -9.6868000000e-01  9.3006000000e-01  3.1928700000e+00 -1.0756000000e+00  8.6492000000e-01  1.8974200000e+00 -1.8589800000e+00  8.7050000000e-01
ENERGY -9.171578838528e+02
EMD0 -2.917078270000e+02
FORCES   6.4806000000e-03 -8.2467000000e-03 -1.0926600000e-02 -8.3665000000e-03  6.6240000000e-03  1.3736600000e-02  4.9549000000e-03 -4.6024000000e-03 -3.8506000000e-03  7.3965000000e-03 -4.0993000000e-03 -1.6134000000e-03 -5.6544000000e-03  1.2282600000e-02 -1.5692600000e-02  1.2190000000e-03 -4.6129000000e-03  5.9457000000e-03 -1.9700000000e-03  7.3069000000e-03 -4.2778000000e-03 -5.5017000000e-03  1.7407000000e-03  1.8149000000e-03  1.4873000000e-02 -8.1233000000e-03  4.8996000000e-03 -3.4476000000e-03  3.0011000000e-03 -1.4796000000e-03 -3.6571000000e-03 -3.9476000000e-03 -9.4480000000e-04  7.9431000000e-03  3.1430000000e-04  5.1251000000e-03  8.7254000000e-03  6.2903000000e-03  1.1544400000e-02 -7.3826000000e-03 -3.1611000000e-03 -1.4700200000e-02  1.3721000000e-03  3.2510000000e-04  3.7039000000e-03  1.4677000000e-03  5.1968000000e-03 -7.3050000000e-04 -2.3030000000e-04 -1.3273700000e-02 -1.2302000000e-03 -2.5700000000e-05  6.3144000000e-03 -6.7890000000e-04 -1.6250000000e-03  8.8115000000e-03 -3.0004000000e-03  5.3595000000e-03 -7.2253000000e-03  4.9839000000e-03  2.3784000000e-03 -2.4853000000e-03 -4.0038000000e-03  8.7873000000e-03  7.1173000000e-03 -5.9184000000e-03 -7.3019000000e-03 -9.8660000000e-03 -3.5811000000e-03 -4.8001000000e-03 -2.4827000000e-03  5.3210000000e-03  1.5428000000e-03  7.3531000000e-03 -1.0597700000e-02 -6.3187000000e-03 -8.1021000000e-03  1.7339600000e-02 -1.5022000000e-03  4.5227000000e-03 -4.1301000000e-03  1.3300000000e-05  3.0648000000e-03  2.2571000000e-03 -8.5650000000e-04  1.5531000000e-03 -5.4669000000e-03  8.4480000000e-04 -4.6185000000e-03  3.2086000000e-03 -1.2616400000e-02 -7.0735000000e-03  1.3271200000e-02  6.4213000000e-03 -7.4339000000e-03 -4.2840000000e-04  5.8000000000e-05  8.5633000000e-03 -4.1940000000e-03 -1.3231600000e-02 -3.5443000000e-03  7.6560000000e-03 -9.1698000000e-03 -1.4755000000e-03 -4.6120000000e-04  1.3820600000e-02  1.3992200000e-02 -2.9003000000e-03

JOB 207
COORDS   1.3059100000e+00 -4.2219000000e-01  2.4042700000e+00  2.2277500000e+00 -5.1974000000e-01  2.1657000000e+00  8.7632000000e-01 -1.1862300000e+00  2.0196700000e+00 -1.2474000000e-01  1.7787900000e+00  3.0417700000e+00  4.0584000000e-01  1.0033900000e+00  2.8588400000e+00 -5.8281000000e-01  1.5695700000e+00  3.8557800000e+00  1.5491000000e-01 -2.4981500000e+00  1.1808800000e+00  9.6188000000e-01 -2.5578700000e+00  6.6953000000e-01 -4.6642000000e-01 -2.0610600000e+00  5.9853000000e-01  3.9816500000e+00  1.8102700000e+00 -4.1758000000e-01  3.4417700000e+00  1.4982500000e+00 -1.1438000000e+00  3.3574200000e+00  2.1959400000e+00  1.9710000000e-01  6.9496000000e-01  3.7735300000e+00 -1.2902100000e+00  1.1796600000e+00  3.7920300000e+00 -4.6501000000e-01  1.3574000000e+00  3.9377100000e+00 -1.9613700000e+00  2.8610200000e+00 -3.5470300000e+00  2.5497000000e-01  3.1345900000e+00 -4.2464800000e+00 -3.3846000000e-01  2.6422200000e+00 -3.9966800000e+00  1.0711700000e+00  2.1883000000e+00 -7.9610000000e-01 -1.5031200000e+00  2.4972000000e+00 -1.4153800000e+00 -8.4183000000e-01  1.3214300000e+00 -1.1195000000e+00 -1.7484300000e+00 -7.9307000000e-01  1.6468600000e+00 -2.3250000000e-01 -1.1929700000e+00  1.9581600000e+00  5.7954000000e-01 -5.7149000000e-01  2.4449700000e+00 -7.1224000000e-01 -1.1439800000e+00 -1.2816000000e+00 -9.9800000000e-01 -9.5822000000e-01 -3.5259000000e-01 -8.6143000000e-01 -1.8421200000e+00 -1.2930200000e+00 -1.6527600000e+00 -1.4741040000e+01 -2.4575800000e+00 -4.4239200000e+00 -1.5333200000e+01 -1.8283700000e+00 -4.0120000000e+00 -1.4731920000e+01 -3.2052900000e+00 -3.8263600000e+00  1.8620000000e+00  2.7281600000e+00  1.0414300000e+00  1.7930600000e+00  2.5917600000e+00  1.9863500000e+00  1.3900200000e+00  1.9893400000e+00  6.5723000000e-01  3.8034600000e+00 -6.0993000000e-01  9.4105000000e-01  4.0973900000e+00  1.5804000000e-01  4.5110000000e-01  4.2247800000e+00 -1.3495800000e+00  5.0329000000e-01
ENERGY -9.171648377888e+02
EMD0 -3.073714190000e+02
FORCES  -7.0792000000e-03 -1.2304500000e-02 -8.3038000000e-03 -1.1602800000e-02 -5.2676000000e-03  3.9402000000e-03  1.5672100000e-02  8.9342000000e-03 -4.3930000000e-04  7.4536000000e-03 -1.1464700000e-02 -2.4895000000e-03 -9.1510000000e-03  1.7712700000e-02  7.0057000000e-03  1.8085000000e-03 -4.4998000000e-03 -1.6841000000e-03 -7.4015000000e-03  9.8300000000e-05 -4.9052000000e-03 -4.1658000000e-03  8.5834000000e-03  7.2513000000e-03  1.1734300000e-02 -4.2200000000e-05  8.5406000000e-03 -7.2422000000e-03  9.2584000000e-03  7.0560000000e-03  2.2000000000e-04  4.4461000000e-03  6.0268000000e-03  4.3275000000e-03 -1.0941700000e-02 -1.0800700000e-02 -1.3038000000e-03 -1.3017000000e-03  4.2078000000e-03 -2.0314000000e-03 -1.2356000000e-03 -1.3231100000e-02  3.3846000000e-03  4.0910000000e-04  5.8776000000e-03  8.4640000000e-04 -4.9670000000e-04  4.4350000000e-04 -3.5670000000e-04 -1.1886000000e-03  6.0677000000e-03  3.7880000000e-04 -1.9165000000e-03 -6.5123000000e-03  1.4101000000e-03  6.1920000000e-04  2.8902000000e-03 -4.4259000000e-03 -1.0624000000e-03 -6.7747000000e-03  5.9367000000e-03 -1.8462000000e-03  3.6151000000e-03  2.6255000000e-03  6.9508000000e-03 -3.2540000000e-03  4.6620000000e-04  5.4104000000e-03 -8.4686000000e-03 -6.8532000000e-03 -5.3175000000e-03  1.3075300000e-02 -3.2781000000e-03  7.6010000000e-04  4.0347000000e-03 -3.1986000000e-03 -1.6457400000e-02 -7.1736000000e-03  2.2729000000e-03  6.1266000000e-03 -5.9090000000e-04  1.9215000000e-03  1.3240000000e-04 -3.2376000000e-03  1.0637000000e-03 -4.8013000000e-03  2.0654000000e-03 -2.9900000000e-03  4.6699000000e-03  1.1698000000e-03 -6.1377000000e-03  7.2900000000e-04  5.2420000000e-03  4.0904000000e-03 -5.1266000000e-03 -6.3006000000e-03  1.1638400000e-02  8.1866000000e-03  1.0254000000e-03 -5.9320000000e-04  1.4457300000e-02 -4.1069000000e-03  4.3560000000e-04 -1.9596700000e-02  4.3983000000e-03  1.2450000000e-04  7.3832000000e-03 -5.6604000000e-03

JOB 208
COORDS   2.4547200000e+00  8.6652000000e-01  2.1866600000e+00  2.8462300000e+00  5.5851000000e-01  3.0040200000e+00  1.5488900000e+00  5.5938000000e-01  2.2237700000e+00 -2.4686400000e+00  3.9424000000e-01  2.3634500000e+00 -3.0393200000e+00 -2.2664000000e-01  2.8162900000e+00 -1.6620800000e+00 -9.5160000000e-02  2.2016400000e+00  5.0050000000e-02 -3.6558000000e-01  1.7448200000e+00  6.0137000000e-01 -1.0487800000e+00  1.3633400000e+00 -2.2362000000e-01  1.6685000000e-01  9.9793000000e-01  3.2313100000e+00 -3.2056000000e-01 -1.2670500000e+00  2.6574500000e+00 -6.9819000000e-01 -1.9336200000e+00  2.8932600000e+00  5.6487000000e-01 -1.1330100000e+00  2.3250000000e-02  4.0591900000e+00  1.1094600000e+00  7.6997000000e-01  3.7395400000e+00  6.0303000000e-01  3.3105000000e-01  4.0609000000e+00  2.0158200000e+00  1.5085200000e+00 -2.2629500000e+00  5.6418000000e-01  1.4523700000e+00 -3.0507200000e+00  1.1050200000e+00  2.4394500000e+00 -2.1794400000e+00  3.5772000000e-01  7.1040000000e-01 -1.9745100000e+00 -2.1033500000e+00  9.4394000000e-01 -2.2474800000e+00 -1.2161100000e+00 -3.0480000000e-02 -1.3802200000e+00 -1.9844100000e+00 -1.7725800000e+00  2.4945100000e+00 -1.9420000000e-01 -2.4228600000e+00  2.3988600000e+00  5.0166000000e-01 -1.1939900000e+00  3.1927200000e+00  1.1234000000e-01 -1.0373900000e+00  5.2850000000e-02 -7.4310000000e-01 -1.8446200000e+00 -3.7640000000e-01 -1.0265500000e+00 -1.2773500000e+00  9.7424000000e-01 -6.4462000000e-01 -1.0022980000e+01 -2.9215000000e+00 -3.5034200000e+00 -1.0364330000e+01 -3.1972300000e+00 -4.3541200000e+00 -1.0802080000e+01 -2.7079900000e+00 -2.9899700000e+00  2.6025300000e+00  2.3342800000e+00 -1.1982000000e-01  3.5569700000e+00  2.4048400000e+00 -1.3684000000e-01  2.4143200000e+00  1.8125900000e+00  6.6033000000e-01  4.7571300000e+00 -2.3189500000e+00 -1.3005000000e-01  4.2181600000e+00 -1.6339200000e+00 -5.2562000000e-01  5.6242100000e+00 -2.1950100000e+00 -5.1613000000e-01
ENERGY -9.171592140201e+02
EMD0 -3.088465780000e+02
FORCES  -7.0691000000e-03 -4.2941000000e-03 -5.6578000000e-03 -7.3923000000e-03 -3.2579000000e-03  1.3804000000e-03  1.8429500000e-02  8.2840000000e-03  2.3436000000e-03  1.1548300000e-02 -1.3979000000e-03 -8.6660000000e-04  4.9944000000e-03 -3.0584000000e-03 -1.2822000000e-03 -1.2077400000e-02  2.8086000000e-03 -1.0030000000e-04 -2.7312000000e-03 -1.5690300000e-02 -1.7913900000e-02 -4.0683000000e-03  1.2295200000e-02  8.2933000000e-03  5.4270000000e-03  2.4090000000e-03  1.2681600000e-02 -9.4140000000e-04  6.4454000000e-03  3.5322000000e-03  6.7432000000e-03  7.6475000000e-03  5.9609000000e-03  1.7427000000e-03 -9.8533000000e-03 -7.6145000000e-03 -5.1751000000e-03 -6.7300000000e-05  2.4630000000e-04 -9.2050000000e-03  9.1300000000e-05  7.2764000000e-03  5.2050000000e-03 -6.0970000000e-04 -3.6909000000e-03 -1.9391000000e-03  9.0817000000e-03 -3.6057000000e-03  3.0027000000e-03  4.8932000000e-03 -2.3540000000e-04 -8.0662000000e-03 -7.3805000000e-03  1.1437000000e-03 -4.2056000000e-03 -5.9690000000e-04  8.3026000000e-03  5.9620000000e-04  2.8397000000e-03 -7.1416000000e-03  4.5100000000e-04 -7.6719000000e-03 -3.0650000000e-04  1.0161000000e-02  2.8231000000e-03  3.5393000000e-03  3.5159000000e-03  4.1749000000e-03 -3.4441000000e-03 -6.5522000000e-03 -6.8322000000e-03 -5.6097000000e-03 -4.1616000000e-03  2.1627000000e-02  8.1345000000e-03  2.1545000000e-03  3.7214000000e-03 -3.5930000000e-03  2.0191000000e-03 -2.3753000000e-02  1.2957000000e-03  3.4911000000e-03  9.0600000000e-05  8.3960000000e-04 -3.3316000000e-03  1.5554000000e-03  4.3344000000e-03 -1.7230000000e-04 -1.6448000000e-03 -5.1987000000e-03  2.4639000000e-03 -1.0341000000e-03  1.1245400000e-02 -2.3721000000e-03 -5.7422000000e-03  1.6400000000e-05 -2.7055000000e-03  5.9123000000e-03 -1.3540100000e-02 -2.0904000000e-03  6.7425000000e-03 -4.1504000000e-03  4.2750000000e-03 -1.4156200000e-02  4.7737000000e-03 -1.9637000000e-03  3.5980000000e-03 -1.3886000000e-03

JOB 209
COORDS   5.1352000000e-01  1.0687900000e+00  1.9963200000e+00  8.4038000000e-01  1.8645000000e-01  1.8206100000e+00 -1.6389000000e-01  9.4577000000e-01  2.6613100000e+00 -1.8697200000e+00  4.1879000000e-01  3.6388200000e+00 -2.6459200000e+00  7.1919000000e-01  3.1660600000e+00 -1.6899900000e+00 -4.4938000000e-01  3.2779800000e+00 -1.6454200000e+00 -1.7589500000e+00  2.0196200000e+00 -8.7028000000e-01 -1.6963200000e+00  1.4615300000e+00 -2.3688900000e+00 -1.4817700000e+00  1.4575000000e+00  2.5741200000e+00  5.9542000000e-01 -3.4079900000e+00  1.7942200000e+00  5.4267000000e-01 -3.9604400000e+00  2.2916100000e+00  1.0933900000e+00 -2.6408900000e+00  2.2774400000e+00  1.9682300000e+00 -1.2765800000e+00  2.4760700000e+00  2.0501600000e+00 -3.4381000000e-01  2.9508700000e+00  2.4907100000e+00 -1.7121600000e+00  1.4792800000e+00 -1.4825300000e+00  1.2765400000e+00  1.6404300000e+00 -2.2892500000e+00  1.7658800000e+00  1.7126100000e+00 -1.6987800000e+00  3.7375000000e-01  3.4260000000e-02 -7.2046000000e-01 -1.8810100000e+00 -7.8022000000e-01 -1.0880100000e+00 -2.2241800000e+00 -2.2810000000e-01  1.0445000000e-01 -1.4724500000e+00 -3.5612000000e-01  2.0037400000e+00 -2.2261000000e-01 -1.4807000000e-01  1.7415000000e+00  6.7415000000e-01  4.9013000000e-01  2.0228800000e+00 -6.6951000000e-01 -3.0227200000e+00  4.7009000000e-01  3.2332000000e-01 -3.8051800000e+00  9.9050000000e-01  1.4119000000e-01 -2.3196300000e+00  9.2278000000e-01 -1.4247000000e-01 -4.9747000000e+00 -2.8429500000e+00 -2.4209200000e+00 -5.5618000000e+00 -2.8299700000e+00 -1.6650300000e+00 -4.9192900000e+00 -3.7666000000e+00 -2.6659200000e+00  2.7101900000e+00  2.4934500000e+00  1.4451900000e+00  3.3971400000e+00  2.4281500000e+00  2.1085700000e+00  1.9251100000e+00  2.1592000000e+00  1.8789800000e+00  2.3463200000e+00 -2.1979700000e+00 -1.4794300000e+00  3.2054700000e+00 -1.7860400000e+00 -1.5711300000e+00  1.7361100000e+00 -1.5684500000e+00 -1.8636000000e+00
ENERGY -9.171690966688e+02
EMD0 -3.099564190000e+02
FORCES  -3.5599000000e-03 -1.1257000000e-03 -1.1045800000e-02 -1.0393600000e-02  1.4126100000e-02  7.6124000000e-03  1.4374900000e-02 -6.0546000000e-03 -1.2885800000e-02 -6.1688000000e-03 -1.3257300000e-02 -3.2467000000e-03  7.6160000000e-04 -3.3436000000e-03  1.4190000000e-03  1.0878000000e-03  1.5428500000e-02  4.0545000000e-03 -2.2300000000e-04  1.3065000000e-03 -3.9700000000e-05 -9.6175000000e-03  1.1249000000e-03  1.3617000000e-03  6.7061000000e-03 -3.7476000000e-03  3.5307000000e-03 -1.0770000000e-04  5.0220000000e-03  1.4287300000e-02 -7.2280000000e-04  4.5224000000e-03  3.8498000000e-03  2.1827000000e-03  7.8397000000e-03 -8.4592000000e-03 -5.8670000000e-04 -8.6191000000e-03  1.0121000000e-03 -6.7572000000e-03  9.3970000000e-04 -2.0326900000e-02 -1.0800000000e-05 -7.1425000000e-03  1.2407000000e-03  8.1781000000e-03  5.0100000000e-04 -1.0382900000e-02 -4.3890000000e-04 -7.3550000000e-04 -5.2047000000e-03 -4.5410000000e-03  9.8670000000e-04  1.9536400000e-02  5.1544000000e-03  2.7690000000e-04  2.5977000000e-03 -9.2400000000e-05  6.0381000000e-03  2.5801000000e-03 -3.1263000000e-03 -9.9194000000e-03 -7.2345000000e-03  1.6247000000e-02  4.5301000000e-03  2.1601800000e-02 -8.8070000000e-04  3.7282000000e-03 -1.2791500000e-02 -3.9504000000e-03 -8.2920000000e-03  9.5597000000e-03  3.0754000000e-03  2.2827000000e-03 -1.6068000000e-03  4.4096000000e-03  2.0867000000e-03 -1.4638000000e-03 -1.2775500000e-02 -4.6383000000e-03  2.5700000000e-05  1.2344000000e-03  2.4944000000e-03 -1.7865000000e-03  1.0751000000e-03 -4.5582000000e-03 -2.7624000000e-03 -2.8507000000e-03  1.9139000000e-03  4.5267000000e-03 -9.8710000000e-03 -3.2589000000e-03  2.2936000000e-03 -5.8584000000e-03 -1.5987000000e-03  4.2750000000e-03  1.5684700000e-02  5.5261000000e-03 -2.1911000000e-03 -5.3632000000e-03 -1.3616000000e-03 -1.3887500000e-02 -3.8751000000e-03  1.5717000000e-03  3.0964000000e-03  1.1599800000e-02 -4.5933000000e-03  6.8544000000e-03

JOB 210
COORDS   1.5282100000e+00  4.5225000000e-01  1.2433800000e+00  1.9008900000e+00 -3.2299000000e-01  8.2344000000e-01  1.1430400000e+00  1.2340000000e-01  2.0556200000e+00 -2.0818000000e-01 -6.0257000000e-01  3.2592700000e+00 -5.4626000000e-01 -5.8514000000e-01  4.1546100000e+00 -9.5000000000e-01 -8.9232000000e-01  2.7282400000e+00 -2.2578900000e+00 -1.7677200000e+00  1.9470400000e+00 -2.6635900000e+00 -2.6277900000e+00  2.0562100000e+00 -2.5968700000e+00 -1.4468000000e+00  1.1113800000e+00  2.8005000000e+00 -3.6220000000e-02 -1.4190800000e+00  3.3040800000e+00  7.6759000000e-01 -1.5476600000e+00  3.3127100000e+00 -5.4196000000e-01 -7.8813000000e-01  1.5114100000e+00  3.0885500000e+00 -1.4026900000e+00  1.4478300000e+00  3.4011200000e+00 -5.0020000000e-01  2.3463800000e+00  3.4342800000e+00 -1.7181500000e+00  2.1963600000e+00 -2.2312600000e+00  5.1181000000e-01  1.5902500000e+00 -2.7672600000e+00  1.0232500000e+00  1.9493900000e+00 -2.3923500000e+00 -3.9885000000e-01 -8.6728000000e-01 -1.2164200000e+00 -1.5375700000e+00 -1.7782600000e+00 -1.4320200000e+00 -1.3379000000e+00 -7.4445000000e-01 -3.3760000000e-01 -1.1786700000e+00 -3.2618000000e-01  1.1621200000e+00 -4.3592000000e-01  3.8648000000e-01  8.3092000000e-01  1.1057000000e-01  1.1260000000e-01  1.5536800000e+00 -1.1911600000e+00 -2.9151800000e+00  1.3312100000e+00 -8.7271000000e-01 -1.9770100000e+00  1.4455000000e+00 -7.2101000000e-01 -3.1563500000e+00  2.0599700000e+00 -1.4445300000e+00 -3.5951100000e+00 -1.3289800000e+00 -6.2637000000e-01 -4.5463100000e+00 -1.4337400000e+00 -6.0480000000e-01 -3.4581200000e+00 -3.8166000000e-01 -6.3402000000e-01  8.3109000000e-01  3.4651000000e+00  1.2392500000e+00 -1.0330000000e-01  3.6727400000e+00  1.2452400000e+00  8.6433000000e-01  2.5084800000e+00  1.2361200000e+00  1.4071100000e+00 -2.3763800000e+00 -1.9204300000e+00  1.9755700000e+00 -1.6170500000e+00 -2.0488700000e+00  5.3626000000e-01 -2.0696600000e+00 -2.1729800000e+00
ENERGY -9.171852117496e+02
EMD0 -3.435875100000e+02
FORCES   6.6870000000e-04 -1.1803700000e-02  1.1785000000e-03 -6.0427000000e-03  1.3722400000e-02  3.7244000000e-03  8.1121000000e-03  2.4900000000e-03 -1.3325900000e-02 -8.3760000000e-03 -7.1308000000e-03 -6.0416000000e-03 -4.9256000000e-03 -2.2926000000e-03 -2.3636000000e-03  7.7425000000e-03  9.4617000000e-03  9.3591000000e-03  3.2081000000e-03  1.4526000000e-03 -3.4470000000e-03 -3.0897000000e-03  1.7030000000e-03 -2.9994000000e-03  3.8979000000e-03 -1.6129000000e-03  1.0155700000e-02 -5.6638000000e-03  1.2910000000e-04 -1.2775000000e-03  4.9617000000e-03 -4.5026000000e-03  3.8995000000e-03 -2.2386000000e-03  4.9371000000e-03 -5.7374000000e-03 -6.5046000000e-03  2.2644000000e-03  1.0878600000e-02  7.6296000000e-03 -4.3213000000e-03 -1.5811700000e-02  3.4810000000e-04  7.1210000000e-04  6.9845000000e-03 -1.0004200000e-02 -7.7946000000e-03 -2.4186000000e-02 -1.1859000000e-03 -1.5233000000e-03 -4.7991000000e-03  1.3129400000e-02  7.4888000000e-03  1.7875900000e-02  1.0475000000e-02  6.7915000000e-03  5.5346000000e-03  5.3713000000e-03  9.9314000000e-03  5.2055000000e-03 -7.4466000000e-03 -8.4826000000e-03 -4.3246000000e-03  1.6269100000e-02 -9.4625000000e-03  2.0936300000e-02 -1.4338700000e-02  8.6718000000e-03 -2.1802200000e-02 -8.5738000000e-03 -9.5947000000e-03  4.8184000000e-03  1.3407900000e-02 -5.3933000000e-03  4.5925000000e-03 -1.4810900000e-02  5.2830000000e-03 -1.1551200000e-02  8.1609000000e-03  2.4587000000e-03  1.6246000000e-03  1.7490000000e-03  6.7650000000e-03 -9.7865000000e-03  1.0884000000e-03  6.6757000000e-03  1.4718000000e-03 -3.1751000000e-03 -2.1217900000e-02  7.3209000000e-03  8.5130000000e-04 -3.8579000000e-03  3.1785000000e-03  1.8169000000e-03 -3.3238000000e-03 -1.0500000000e-04 -6.0622000000e-03  9.9060000000e-03 -5.6286000000e-03 -1.8152700000e-02  1.0123200000e-02  1.2476300000e-02 -2.7620000000e-03 -7.5919000000e-03  1.0697300000e-02  1.4465300000e-02 -1.0611000000e-03 -8.7256000000e-03

JOB 211
COORDS   3.7922000000e-01  1.1340300000e+00  1.8921700000e+00  1.2948200000e+00  9.9966000000e-01  2.1368300000e+00 -3.3570000000e-02  2.8146000000e-01  2.0298500000e+00 -1.3472800000e+00 -1.1847700000e+00  2.4105400000e+00 -2.0884600000e+00 -6.2482000000e-01  2.1795900000e+00 -1.3210800000e+00 -1.8457100000e+00  1.7186500000e+00 -1.5712400000e+00 -2.5775200000e+00 -5.9100000000e-03 -8.0484000000e-01 -2.1133200000e+00 -3.4264000000e-01 -2.3170900000e+00 -2.1342100000e+00 -4.1016000000e-01  1.9940000000e-01  3.0344000000e-01 -3.7016600000e+00  8.4566000000e-01  9.1879000000e-01 -3.3553800000e+00  6.3914000000e-01 -1.1532000000e-01 -4.4415900000e+00  1.4733400000e+00  1.7297200000e+00 -1.8534300000e+00  1.5319700000e+00  7.8064000000e-01 -1.7436700000e+00  2.0354900000e+00  2.0860500000e+00 -1.1655000000e+00  2.9079400000e+00  4.1879000000e-01  2.3619500000e+00  3.3068500000e+00  2.7602000000e-01  3.2202800000e+00  2.6134800000e+00 -4.4943000000e-01  2.0867600000e+00 -5.4850000000e-02 -6.3936000000e-01 -1.1507300000e+00 -1.7920000000e-01 -6.1049000000e-01 -2.0993800000e+00 -4.5437000000e-01  1.6981000000e-01 -8.3158000000e-01 -1.0609500000e+00  1.8504700000e+00 -4.2213000000e-01 -5.6303000000e-01  1.6509900000e+00  3.7066000000e-01 -3.9943000000e-01  1.9160200000e+00 -1.1108500000e+00 -3.6343600000e+00  1.1423400000e+00  4.6670000000e-01 -2.9277700000e+00  1.7273800000e+00  1.9340000000e-01 -3.4324000000e+00  9.3163000000e-01  1.3783200000e+00 -3.2707400000e+00 -1.0582000000e+00 -1.2065400000e+00 -2.7426900000e+00 -7.2738000000e-01 -1.9331500000e+00 -3.5786600000e+00 -2.7173000000e-01 -7.5610000000e-01  3.9872800000e+00  7.7552000000e-01 -2.0388000000e-01  3.7864000000e+00  6.4779000000e-01  7.2325000000e-01  4.6418200000e+00  1.0579000000e-01 -4.0209000000e-01  1.8216800000e+00 -1.8538100000e+00  1.4382000000e+00  1.5201000000e+00 -1.5871400000e+00  5.6978000000e-01  1.3473800000e+00 -2.6655300000e+00  1.6181800000e+00
ENERGY -9.171777786741e+02
EMD0 -3.369946160000e+02
FORCES   1.3719000000e-02 -3.2828000000e-03  1.2109800000e-02 -1.0819100000e-02 -9.0668000000e-03 -2.6975000000e-03  9.2580000000e-03  1.2049600000e-02 -7.7063000000e-03 -7.1656000000e-03 -1.6259300000e-02 -8.6429000000e-03  3.3067000000e-03  3.1615000000e-03 -1.8144000000e-03  5.3099000000e-03  1.2737100000e-02  1.4195100000e-02 -1.7553900000e-02  1.9867200000e-02 -2.2798100000e-02 -1.5780000000e-03 -5.1937000000e-03  8.3076000000e-03  1.2460400000e-02 -6.2502000000e-03  4.7726000000e-03 -1.4807000000e-03  8.8131000000e-03  5.0839000000e-03  1.0570000000e-03 -1.4762900000e-02  2.2014000000e-03  4.6725000000e-03  3.8000000000e-03  4.1171000000e-03  5.8916000000e-03 -6.6590000000e-04 -1.4954000000e-03 -5.3624000000e-03  7.9820000000e-03 -1.1522600000e-02 -7.9136000000e-03 -3.6947000000e-03  7.0110000000e-04 -1.1348900000e-02 -3.8668000000e-03 -3.6665000000e-03 -2.0454000000e-03 -6.7042000000e-03 -2.8227000000e-03  7.2798000000e-03  1.8897600000e-02  2.7304000000e-03 -1.3860700000e-02  1.0457800000e-02 -5.2248000000e-03 -1.9094000000e-03  2.4484000000e-03  1.3784800000e-02  1.0679200000e-02 -2.3043000000e-03 -9.0905000000e-03  1.0040700000e-02  8.2898000000e-03  5.7493000000e-03 -1.1446900000e-02 -6.3262000000e-03 -2.0845800000e-02 -6.0247000000e-03 -1.6010300000e-02  9.0704000000e-03  3.5713000000e-03  3.5913000000e-03 -4.3997000000e-03 -8.4696000000e-03 -5.3300000000e-03  9.8647000000e-03  5.8751000000e-03  1.3070000000e-04 -2.3300000000e-03  2.4165000000e-03 -7.0800000000e-05  1.4814700000e-02 -5.2200000000e-05  2.2227000000e-03  4.3458000000e-03  5.6095000000e-03 -8.9502000000e-03 -1.4272900000e-02  6.1210000000e-04  3.7886000000e-03  7.3527000000e-03  4.7080000000e-03 -6.7080000000e-03 -1.2776900000e-02 -2.1577000000e-03 -9.1410000000e-04  6.0920000000e-03  9.3450000000e-04  1.9819000000e-03  6.4980000000e-03  2.2131000000e-03 -5.4002000000e-03  8.0268000000e-03 -4.2630000000e-04  1.5419000000e-03 -7.7110000000e-03

JOB 212
COORDS  -2.2621000000e-01  6.5244000000e-01  7.9303000000e-01  5.3009000000e-01  1.1448200000e+00  1.1121100000e+00 -2.3061000000e-01 -1.4774000000e-01  1.3183300000e+00 -5.5880000000e-01 -1.5230700000e+00  2.1885900000e+00 -9.4084000000e-01 -1.7929000000e+00  3.0237400000e+00 -1.0493600000e+00 -2.0150600000e+00  1.5301600000e+00 -2.3878000000e+00 -1.6923900000e+00 -4.4800000000e-03 -3.2785000000e+00 -1.9823400000e+00 -2.0152000000e-01 -2.4366800000e+00 -7.3664000000e-01 -2.4120000000e-02  3.6864000000e-01 -1.3974200000e+00 -1.8540600000e+00 -2.4021000000e-01 -1.5122200000e+00 -1.1244300000e+00  2.1820000000e-02 -6.4963000000e-01 -2.3406400000e+00  1.5891500000e+00  3.2312900000e+00 -1.5228400000e+00  1.7910200000e+00  2.5868200000e+00 -8.4450000000e-01  2.3935300000e+00  3.7417300000e+00 -1.6159000000e+00  3.7577200000e+00 -4.0072000000e-01  2.4480000000e+00  4.3553600000e+00 -8.1035000000e-01  3.0735200000e+00  3.1444400000e+00 -1.0964300000e+00  2.2111300000e+00  2.6684400000e+00 -5.9366000000e-01 -8.4407000000e-01  1.9181900000e+00 -9.4151000000e-01 -1.3261000000e+00  3.4045500000e+00 -6.8189000000e-01 -1.4495400000e+00 -7.0829000000e-01  1.5796400000e+00 -2.1230400000e+00 -8.1041000000e-01  1.3682900000e+00 -1.1950700000e+00 -1.5110000000e-02  2.2394100000e+00 -2.1440400000e+00 -3.5023300000e+00  1.4188900000e+00 -1.1860000000e+00 -2.8402400000e+00  1.2259100000e+00 -1.8497900000e+00 -3.5886300000e+00  2.3720400000e+00 -1.2031200000e+00 -5.4216000000e+00 -7.1563000000e-01 -2.2954000000e-01 -6.2201500000e+00 -2.0467000000e-01 -9.7370000000e-02 -4.7133800000e+00 -7.4860000000e-02 -1.6580000000e-01  2.3546000000e+00  1.9629100000e+00  7.9640000000e-01  2.2507300000e+00  1.2031300000e+00  2.2353000000e-01  2.8765500000e+00  1.6400600000e+00  1.5309400000e+00  2.0823200000e+00 -2.5328100000e+00  1.5027600000e+00  2.2597800000e+00 -2.4928500000e+00  5.6301000000e-01  1.1804400000e+00 -2.2242000000e+00  1.5900100000e+00
ENERGY -9.171679404902e+02
EMD0 -3.231692390000e+02
FORCES   1.1594000000e-03 -5.7605000000e-03  1.3308600000e-02 -3.1220000000e-03 -1.2272700000e-02  4.3180000000e-04  6.0586000000e-03  2.9340000000e-03 -7.7199000000e-03 -3.3248000000e-03  1.6045700000e-02 -3.6216000000e-03 -3.4731000000e-03 -4.8171000000e-03 -5.4411000000e-03  1.2710200000e-02  1.4757000000e-03  1.0812700000e-02 -6.1464000000e-03 -2.1824000000e-03 -8.1150000000e-04  4.3098000000e-03  6.9423000000e-03  1.0833000000e-03 -2.5777000000e-03 -8.0185000000e-03 -2.4347000000e-03  1.5959000000e-03  3.7502000000e-03  1.3682000000e-03  4.4401000000e-03  3.6986000000e-03 -3.0981000000e-03  1.4704000000e-03 -8.8895000000e-03  4.9556000000e-03  3.6301000000e-03  2.4540000000e-03  8.2431000000e-03 -1.4223000000e-03 -6.7332000000e-03 -6.9930000000e-03  1.3962000000e-03 -2.5761000000e-03  2.1284000000e-03 -3.7497000000e-03 -8.3628000000e-03 -5.1735000000e-03 -2.9086000000e-03 -3.6121000000e-03 -1.2266000000e-03  8.9546000000e-03  1.0104000000e-02  9.8625000000e-03 -1.3795400000e-02 -4.7537000000e-03 -5.3181000000e-03  2.0143800000e-02  2.7067000000e-03  4.3390000000e-03 -6.5817000000e-03 -3.2845000000e-03 -4.0647000000e-03  8.4447000000e-03  1.0765800000e-02  1.2591000000e-03 -3.3094000000e-03  2.9619000000e-03 -1.2833500000e-02 -7.9493000000e-03 -9.2020000000e-03  5.8112000000e-03  3.5650000000e-03  3.8356000000e-03 -3.6527000000e-03 -5.0777000000e-03  6.4340000000e-04  6.3157000000e-03  5.8370000000e-04 -1.5937000000e-03 -3.6559000000e-03 -1.6669000000e-03  2.5104000000e-03 -5.1909000000e-03  3.7664000000e-03  2.9836000000e-03  1.4068000000e-03 -4.6582000000e-03 -8.2139000000e-03  6.6865000000e-03  8.8931000000e-03  7.0910000000e-04 -2.5518000000e-03 -1.0745500000e-02  1.8734500000e-02  5.4484000000e-03 -7.6479000000e-03  2.4706000000e-03 -4.8887000000e-03 -2.2410000000e-03 -2.0320000000e-04  5.0030000000e-04 -8.1218000000e-03 -2.7525000000e-03  4.2503000000e-03  7.3972000000e-03 -2.4976000000e-03 -9.5351000000e-03

JOB 213
COORDS   9.4459000000e-01  1.1074800000e+00  1.8285800000e+00  1.2327800000e+00  1.4066900000e+00  2.6909300000e+00  8.9876000000e-01  1.5469000000e-01  1.9081000000e+00  6.8625000000e-01 -1.6368500000e+00  1.6109500000e+00 -2.6981000000e-01 -1.6026800000e+00  1.6427200000e+00  8.8914000000e-01 -1.8321900000e+00  6.9612000000e-01 -2.7810100000e+00 -3.1743000000e-01 -3.8701200000e+00 -3.5688300000e+00  1.2757000000e-01 -4.1824400000e+00 -2.8269600000e+00 -2.4584000000e-01 -2.9167100000e+00 -4.0823000000e-01  1.4840000000e-02 -2.8983500000e+00 -1.2615700000e+00  9.7500000000e-03 -3.3319600000e+00 -3.1760000000e-02  8.6666000000e-01 -3.1194600000e+00  9.7246000000e-01  2.4099300000e+00 -2.6333000000e+00  1.5688600000e+00  1.8533500000e+00 -2.1325400000e+00  1.3721200000e+00  3.2791400000e+00 -2.6019300000e+00  1.8710500000e+00  1.0891300000e+00  4.6926100000e+00  1.4321700000e+00  1.2523600000e+00  5.5274600000e+00  1.9216900000e+00  1.3529000000e-01  4.6305700000e+00  5.3393000000e-01 -2.2961700000e+00 -1.3155000000e+00  2.6345000000e-01 -1.6406700000e+00 -1.9584500000e+00  4.3380000000e-02 -3.0828000000e+00 -1.5538400000e+00 -5.3737000000e-01  1.6072900000e+00 -3.3763000000e-01 -1.3221000000e-01  1.5501100000e+00  5.2771000000e-01  1.7709000000e-01  1.4295900000e+00 -9.4935000000e-01 -3.0124800000e+00  5.8308000000e-01 -1.0744500000e+00 -2.1883600000e+00  9.5264000000e-01 -7.5746000000e-01 -3.6091900000e+00  1.3302100000e+00 -1.1188200000e+00 -2.0309000000e+00 -1.7089900000e+00  3.7028000000e-01 -2.9380500000e+00 -1.6115300000e+00  8.0770000000e-02 -1.5270600000e+00 -1.1593400000e+00 -2.2993000000e-01  2.1284600000e+00  8.3848000000e-01 -7.5834000000e-01  2.3516800000e+00 -8.9000000000e-02 -6.7971000000e-01  1.9249600000e+00  1.1129900000e+00  1.3579000000e-01  1.6846700000e+00 -1.6793000000e+00  4.3577000000e+00  1.7716400000e+00 -2.5476600000e+00  4.7509000000e+00  1.7037300000e+00 -1.8400400000e+00  3.4142800000e+00
ENERGY -9.171871754827e+02
EMD0 -3.516941470000e+02
FORCES  -7.2072000000e-03 -5.9750000000e-03  2.3183000000e-03 -2.7212000000e-03 -9.1910000000e-03 -1.0779500000e-02  2.7648000000e-03  1.6717500000e-02  2.6397000000e-03 -6.8154000000e-03 -7.7719000000e-03 -8.4555000000e-03  1.1488100000e-02  5.8917000000e-03 -9.3230000000e-04  5.6800000000e-05  6.8584000000e-03  1.2762300000e-02  1.0875400000e-02  2.2706000000e-03  5.4084000000e-03 -1.0099000000e-03 -9.0660000000e-04  5.3351000000e-03  1.0301200000e-02 -1.0860000000e-04 -1.8255400000e-02 -9.9856000000e-03  7.9166000000e-03 -7.8787000000e-03 -3.2648000000e-03  2.3131000000e-03  1.1736800000e-02 -7.0056000000e-03 -6.6745000000e-03 -4.0080000000e-04 -2.8077000000e-03 -5.8842000000e-03  7.4993000000e-03 -1.0468700000e-02  9.2854000000e-03 -5.4794000000e-03  5.4389000000e-03 -3.4053000000e-03  3.8409000000e-03  2.3157000000e-03 -8.2471000000e-03  2.9079000000e-03  1.3919000000e-03 -4.6033000000e-03  3.4620000000e-04 -2.5807000000e-03  1.3882600000e-02  3.3060000000e-04 -1.8060000000e-03  3.3755000000e-03 -6.1012000000e-03  4.9530000000e-04 -1.8228100000e-02  8.2987000000e-03 -8.9810000000e-04  4.1479000000e-03 -4.9991000000e-03  1.4877600000e-02  1.6369000000e-03  1.9971000000e-03  2.2769000000e-03 -2.1356000000e-03 -1.2874300000e-02  7.8199000000e-03  2.5230000000e-04  6.3184000000e-03  1.7272300000e-02  5.2910000000e-03  9.9262000000e-03 -2.4569400000e-02 -6.2283000000e-03 -4.6221000000e-03  3.4966000000e-03  5.9650000000e-04 -2.6860000000e-04 -4.8506000000e-03  4.5057000000e-03 -2.5458000000e-03  2.5309000000e-03 -3.5419000000e-03 -2.7624000000e-03 -3.2120000000e-03 -2.3870000000e-03  3.9463000000e-03 -6.1023000000e-03  5.3366000000e-03  3.0957000000e-03 -7.1360000000e-04  2.9437000000e-03  7.6134000000e-03 -2.9150000000e-04 -7.2810000000e-03 -1.4102800000e-02 -3.6065000000e-03  3.7049000000e-03 -1.4496000000e-03 -1.4870000000e-04 -1.6338000000e-03 -6.8335000000e-03  6.6629000000e-03 -2.7233000000e-03  1.2420000000e-02

JOB 214
COORDS   2.2898200000e+00  5.7396000000e-01  2.0939900000e+00  2.0072500000e+00  1.2384800000e+00  2.7223200000e+00  1.5776300000e+00 -6.5510000000e-02  2.0844000000e+00  1.4515000000e-01 -1.6516700000e+00  1.5736300000e+00  4.4262000000e-01 -1.4901000000e+00  6.7829000000e-01 -5.3203000000e-01 -2.3222400000e+00  1.4842000000e+00 -3.3152100000e+00 -4.4298000000e-01 -2.5477500000e+00 -4.1501400000e+00 -6.5520000000e-01 -2.9649800000e+00 -3.5192000000e+00 -3.9417000000e-01 -1.6138100000e+00 -5.8730000000e-01  8.9419000000e-01 -2.1397800000e+00 -1.3756600000e+00  7.0415000000e-01 -2.6483200000e+00 -6.5540000000e-02  1.4603600000e+00 -2.7085100000e+00  1.2933700000e+00  1.8765800000e+00 -3.7243900000e+00  1.9043600000e+00  1.8257700000e+00 -2.9893100000e+00  1.6757800000e+00  2.5304900000e+00 -4.3095400000e+00  1.1770300000e+00  3.0246600000e+00  2.7656600000e+00  7.2417000000e-01  2.8803000000e+00  1.9348100000e+00  1.8252300000e+00  3.7016100000e+00  2.5712300000e+00  1.3841800000e+00 -1.3208700000e+00 -1.4193100000e+00  1.5991900000e+00 -2.0400900000e+00 -2.0132100000e+00  8.9274000000e-01 -7.0221000000e-01 -1.9596500000e+00  3.9783000000e-01  2.3225000000e+00  1.9761000000e-01  1.2020500000e+00  1.9166700000e+00 -1.2606000000e-01 -2.9210000000e-01  1.9693300000e+00 -3.6408000000e-01 -4.3499500000e+00 -7.7539000000e-01  3.8680000000e-02 -4.9883800000e+00 -3.0775000000e-01  5.7714000000e-01 -3.6756900000e+00 -1.0576800000e+00  6.5667000000e-01 -1.6535300000e+00 -2.7057600000e+00 -1.1043000000e-01 -1.5403800000e+00 -3.5417300000e+00 -5.6274000000e-01 -1.7702500000e+00 -2.0665000000e+00 -8.1324000000e-01  3.0023600000e+00  1.2359800000e+00 -6.8486000000e-01  2.8917900000e+00  3.7317000000e-01 -1.0843100000e+00  2.9374600000e+00  1.0747600000e+00  2.5643000000e-01  3.2055000000e-01 -3.0368200000e+00  4.1608300000e+00  1.7937000000e-01 -2.2691500000e+00  4.7148800000e+00  4.0775000000e-01 -2.6816100000e+00  3.2762700000e+00
ENERGY -9.171610250873e+02
EMD0 -2.966140490000e+02
FORCES  -5.7624000000e-03  8.3304000000e-03  6.2853000000e-03  1.2893000000e-03 -1.4523100000e-02 -1.0858000000e-03  3.2002000000e-03  7.5144000000e-03  1.6061000000e-03 -6.6770000000e-03 -3.1052000000e-03 -1.1370200000e-02 -4.3923000000e-03  9.4520000000e-04  7.6005000000e-03  6.9861000000e-03 -1.9581000000e-03  6.3840000000e-03 -7.0306000000e-03 -5.0280000000e-04  6.0585000000e-03 -8.6360000000e-04  3.5230000000e-04  3.7032000000e-03  5.6796000000e-03 -1.3663000000e-03 -1.0930500000e-02  1.1201000000e-03  6.2460000000e-03 -7.2033000000e-03  1.0876200000e-02  6.9309000000e-03 -2.0639000000e-03 -5.2605000000e-03 -7.0341000000e-03  8.0030000000e-03 -7.2857000000e-03 -2.3475000000e-03  1.4560000000e-04 -6.0718000000e-03  1.2521000000e-03 -7.5011000000e-03  4.3305000000e-03 -1.7450000000e-03  4.3988000000e-03 -6.8537000000e-03 -3.5327000000e-03 -9.9739000000e-03  9.6563000000e-03  6.2400000000e-03  1.2860100000e-02 -1.7647000000e-03 -1.9077000000e-03 -3.5033000000e-03 -4.2867000000e-03  4.7390000000e-04  9.6990000000e-04 -3.5365000000e-03  5.1575000000e-03 -2.9669000000e-03  1.3409500000e-02 -1.1047900000e-02 -1.1054000000e-03  3.8391000000e-03 -5.5221000000e-03 -3.0155000000e-03 -9.3041000000e-03  1.3322000000e-03  2.4598000000e-03  6.6834000000e-03  2.5326000000e-03  2.9984000000e-03 -2.1617000000e-03 -2.1459000000e-03 -3.7358000000e-03  4.1580000000e-03 -3.3287000000e-03  3.3749000000e-03 -5.1668000000e-03  6.7138000000e-03 -3.5030000000e-04  3.4835000000e-03  3.6890000000e-03  4.3531000000e-03  1.3136000000e-03  4.4812000000e-03 -2.4669000000e-03 -3.3250000000e-04 -6.4711000000e-03  1.9773000000e-03  6.7948000000e-03 -4.3104000000e-03  1.2935400000e-02 -1.4820000000e-04  7.6192000000e-03  2.7440000000e-04 -2.7084000000e-03  2.7684000000e-03 -1.9000500000e-02  3.2422000000e-03  1.1327000000e-03 -3.7197000000e-03 -3.7890000000e-04 -1.6420000000e-04 -3.2042000000e-03 -6.0763000000e-03 -2.6989000000e-03  6.8087000000e-03

JOB 215
COORDS   3.4388500000e+00  1.5808800000e+00  2.3546200000e+00  2.6240400000e+00  1.8959700000e+00  2.7458300000e+00  3.4235600000e+00  6.3457000000e-01  2.4977500000e+00  1.5571200000e+00 -8.4588000000e-01  1.3628000000e+00  1.5548300000e+00 -1.6084800000e+00  7.8429000000e-01  1.2365500000e+00 -1.2875000000e-01  8.1581000000e-01 -3.1820300000e+00 -5.9400000000e-03 -2.1901000000e+00 -3.3660500000e+00 -8.6962000000e-01 -1.8207400000e+00 -4.0142400000e+00  4.6313000000e-01 -2.1298200000e+00 -5.0682000000e-01 -4.2625000000e-01 -1.5563000000e+00 -1.4096800000e+00 -2.0686000000e-01 -1.7863700000e+00  6.3500000000e-03 -1.6235000000e-01 -2.3200100000e+00  7.0432000000e-01  1.3916300000e+00 -3.6072300000e+00  1.5930000000e+00  1.0511300000e+00 -3.5045900000e+00  7.4349000000e-01  1.9302900000e+00 -4.3975100000e+00  1.1561500000e+00  2.8062000000e+00  2.4390900000e+00  6.0004000000e-01  2.5058800000e+00  1.7202100000e+00  1.5158100000e+00  3.6386500000e+00  2.1326400000e+00  7.8556000000e-01 -2.6390000000e+00 -8.7113000000e-01  1.9295000000e-01 -3.3597400000e+00 -1.0846100000e+00  3.4867000000e-01 -1.8594500000e+00 -1.2141400000e+00  2.2351000000e-01  1.7169900000e+00  1.6790000000e-02  1.0713900000e+00  1.9435000000e+00 -3.6535000000e-01 -1.9231000000e-01  1.1555400000e+00 -6.3750000000e-01 -4.2241000000e+00 -2.4858400000e+00 -1.1917700000e+00 -4.3208500000e+00 -3.4318000000e+00 -1.0820200000e+00 -3.7566400000e+00 -2.1997700000e+00 -4.0699000000e-01 -2.7606000000e+00 -1.2114700000e+00  6.8468000000e-01 -2.1975100000e+00 -1.5272600000e+00  1.3913800000e+00 -2.3421100000e+00 -4.0364000000e-01  3.8716000000e-01  3.5424300000e+00  2.0763200000e+00 -3.0751000000e-01  3.6979600000e+00  3.0180200000e+00 -2.3516000000e-01  3.6465200000e+00  1.7466100000e+00  5.8506000000e-01 -7.4578000000e-01 -1.9735700000e+00  2.9595100000e+00 -4.8115000000e-01 -2.5618500000e+00  3.6667100000e+00  1.9790000000e-02 -1.4188900000e+00  2.8096200000e+00
ENERGY -9.171663353267e+02
EMD0 -3.149124280000e+02
FORCES  -1.8175600000e-02  1.2384600000e-02 -2.4253000000e-03  1.3043200000e-02 -7.8448000000e-03  3.7441000000e-03 -2.2014000000e-03  5.6248000000e-03  1.3370000000e-03 -7.4660000000e-04 -2.1962000000e-03 -7.4228000000e-03  1.7495000000e-03  1.1533900000e-02  3.7880000000e-03  3.5490000000e-03 -9.4343000000e-03 -7.9040000000e-04 -5.2872000000e-03 -3.2693000000e-03 -4.9845000000e-03  7.2995000000e-03  1.4442400000e-02  5.5893000000e-03 -1.6195000000e-03 -4.6309000000e-03  1.7449000000e-03 -1.0273800000e-02 -5.8775000000e-03  2.6350000000e-04  1.6891100000e-02 -2.1754000000e-03  5.9448000000e-03 -2.5440000000e-04 -6.1760000000e-03  9.5528000000e-03 -4.7670000000e-03  4.6432000000e-03 -2.6723000000e-03 -5.6670000000e-03  1.2510000000e-04 -2.6514000000e-03  6.8204000000e-03 -1.7311000000e-03  1.6354000000e-03  2.0416000000e-03 -1.2033300000e-02 -5.5368000000e-03  7.9632000000e-03  1.1566100000e-02  6.0488000000e-03 -7.1510000000e-04 -3.9297000000e-03 -3.2285000000e-03 -8.2899000000e-03  9.4505000000e-03 -1.9166000000e-03 -2.1237000000e-03  3.9990000000e-03 -3.7174000000e-03  8.7209000000e-03 -8.0842000000e-03 -1.4734000000e-03 -7.9317000000e-03 -5.9709000000e-03 -7.3956000000e-03 -1.0716800000e-02 -3.8183000000e-03  1.4654000000e-03  7.9567000000e-03  8.7575000000e-03  1.8248000000e-03  2.4425000000e-03  5.1134000000e-03  4.5785000000e-03  2.8508000000e-03  1.6880000000e-03  7.2184000000e-03 -6.0964000000e-03 -8.2989000000e-03 -1.5041000000e-02 -1.7754000000e-03 -3.9050000000e-03  1.7254000000e-03 -4.7198000000e-03  8.3846000000e-03 -1.0692600000e-02  1.8092000000e-03 -2.9798000000e-03  2.0297000000e-03  7.7902000000e-03 -6.4615000000e-03  1.7774800000e-02 -2.5084000000e-03 -1.4799000000e-03  2.2962000000e-03  2.3197000000e-03  4.9904000000e-03 -1.7009800000e-02  3.5658000000e-03  3.5320000000e-04 -2.0750000000e-03  5.2871000000e-03  3.6032000000e-03 -6.2990000000e-04 -8.2306000000e-03 -6.3629000000e-03  1.1101300000e-02

JOB 216
COORDS   3.4854300000e+00  6.5530000000e-01  1.3401400000e+00  4.2218200000e+00  3.2670000000e-01  1.8558700000e+00  2.7458100000e+00  6.5046000000e-01  1.9477400000e+00  6.5361000000e-01 -8.7891000000e-01  3.8243000000e-01 -2.6787000000e-01 -8.9089000000e-01  1.2365000000e-01  1.1259900000e+00 -6.6409000000e-01 -4.2189000000e-01 -2.7993600000e+00 -4.6144000000e-01 -3.0552500000e+00 -2.3080600000e+00 -1.2471300000e+00 -3.2951400000e+00 -3.3412000000e+00 -2.7386000000e-01 -3.8217000000e+00 -1.2389300000e+00  1.3530000000e+00 -1.6171100000e+00 -1.7462500000e+00  8.0638000000e-01 -2.2171600000e+00 -3.2754000000e-01  1.1165400000e+00 -1.7894200000e+00  1.4307600000e+00  9.8630000000e-01 -2.1612100000e+00  1.5767100000e+00  9.8705000000e-01 -3.1072200000e+00  2.1878700000e+00  1.4482800000e+00 -1.8012200000e+00  1.2380500000e+00  1.7413800000e+00  3.0674700000e+00  7.9760000000e-01  1.9631700000e+00  2.2470700000e+00  1.0694600000e+00  2.4895400000e+00  3.6402400000e+00 -1.9347400000e+00 -1.5128300000e+00 -3.1921000000e-01 -2.3135800000e+00 -1.7104700000e+00  5.3732000000e-01 -2.4871300000e+00 -8.1452000000e-01 -6.7059000000e-01 -1.5354000000e-01  2.3687600000e+00  8.1256000000e-01  8.6480000000e-02  1.5938600000e+00  3.0446000000e-01 -1.0829900000e+00  2.5001600000e+00  6.2521000000e-01 -2.0765300000e+00 -3.2534900000e+00 -2.8993100000e+00 -2.1157900000e+00 -2.9689100000e+00 -1.9862400000e+00 -1.6222500000e+00 -4.0954800000e+00 -2.8689400000e+00 -2.3941800000e+00 -1.9979200000e+00  2.4268600000e+00 -1.5866300000e+00 -1.7268700000e+00  2.8634800000e+00 -2.9870000000e+00 -1.2542900000e+00  2.5355400000e+00  3.6484800000e+00  2.0569100000e+00 -1.1108400000e+00  4.4825400000e+00  1.9500800000e+00 -1.5681900000e+00  3.6716700000e+00  1.4018600000e+00 -4.1327000000e-01  1.1760000000e-01 -1.0808400000e+00  3.2250500000e+00  5.9193000000e-01 -1.0571400000e+00  2.3939800000e+00  1.2650000000e-02 -1.6090000000e-01  3.4678000000e+00
ENERGY -9.171831507744e+02
EMD0 -3.317373150000e+02
FORCES  -7.4195000000e-03  5.6292000000e-03  2.2971000000e-03 -3.3280000000e-03 -4.6900000000e-05  2.0934000000e-03  1.0085300000e-02 -7.2244000000e-03 -2.2836000000e-03 -9.1533000000e-03 -1.0662600000e-02 -5.1983000000e-03  1.5642600000e-02  8.8922000000e-03  2.4288000000e-03 -7.7969000000e-03 -3.1660000000e-04  2.2403000000e-03  1.0610000000e-04 -4.3618000000e-03  3.5882000000e-03 -4.3318000000e-03  1.2305800000e-02 -1.8153000000e-03  3.7754000000e-03 -3.8425000000e-03 -1.3867000000e-03  5.2306000000e-03 -1.2110000000e-04 -7.9174000000e-03  1.1591100000e-02  3.2453000000e-03  4.2980000000e-03 -1.3653700000e-02 -5.8352000000e-03  2.0417000000e-03  1.0916200000e-02  1.3491900000e-02  9.1123000000e-03  3.4240000000e-03  2.2377000000e-03  2.1008000000e-03 -1.2674000000e-02 -1.2282500000e-02 -9.6286000000e-03 -2.8437000000e-03  7.8503000000e-03 -1.1204800000e-02  1.0482300000e-02 -5.6629000000e-03  1.3429500000e-02 -4.7697000000e-03  5.5800000000e-05 -2.9051000000e-03  3.6484000000e-03 -3.3570000000e-03  1.1152700000e-02 -4.2318000000e-03  1.3265300000e-02 -1.7681300000e-02 -1.0784000000e-03 -5.4362000000e-03  9.9122000000e-03 -3.2997000000e-03  6.7010000000e-04 -6.9259000000e-03  5.0300000000e-04  2.9565000000e-03  5.9306000000e-03  1.0025000000e-03 -1.0085000000e-03  3.8823000000e-03 -1.0586000000e-03  1.7860000000e-04  6.8280000000e-04  1.6378000000e-03 -7.5346000000e-03 -1.1622800000e-02 -1.4620000000e-03  1.1945000000e-03  5.9679000000e-03  1.8067200000e-02 -4.0321000000e-03  1.0486000000e-02 -2.2686600000e-02  1.3775000000e-03 -3.3640000000e-03  5.9245000000e-03  5.6520000000e-04 -4.6821000000e-03 -3.8119000000e-03  2.1953000000e-03  9.6480000000e-03 -9.3270000000e-04 -4.6080000000e-03  4.2884000000e-03  2.6105000000e-03  2.1777000000e-03 -2.1669400000e-02  1.0451500000e-02  1.6920000000e-03 -5.7383000000e-03 -3.5844000000e-03  2.8432000000e-03  1.2125900000e-02 -6.9826000000e-03 -6.4911000000e-03 -3.6833000000e-03

JOB 217
COORDS   3.5164500000e+00  2.0275300000e+00  1.3862400000e+00  3.2848600000e+00  2.8881700000e+00  1.0371200000e+00  2.9951500000e+00  1.9442300000e+00  2.1847000000e+00 -7.5551000000e-01 -6.3826000000e-01 -4.3896000000e-01 -1.4480600000e+00 -1.1709100000e+00 -4.7940000000e-02 -4.0060000000e-02 -1.2539500000e+00 -5.9796000000e-01 -6.8933000000e-01  9.4792000000e-01 -3.1963100000e+00 -5.9343000000e-01  1.8493400000e+00 -2.8889600000e+00 -7.2323000000e-01  4.2383000000e-01 -2.3960500000e+00 -1.7379500000e+00  3.0360500000e+00 -1.3077700000e+00 -2.2039500000e+00  2.2221700000e+00 -1.4992700000e+00 -2.3959500000e+00  3.7218400000e+00 -1.4216400000e+00  1.4749600000e+00 -2.2980600000e+00 -7.8123000000e-01  1.8867700000e+00 -2.8225100000e+00 -1.4679600000e+00  1.9379100000e+00 -1.4607100000e+00 -8.0858000000e-01  1.4295100000e+00  2.1511100000e+00  2.8039800000e+00  1.2523500000e+00  2.0380100000e+00  1.8701400000e+00  5.7751000000e-01  2.3616000000e+00  3.1861100000e+00 -2.4133900000e+00 -2.5551600000e+00  3.6769000000e-01 -2.2890300000e+00 -2.8392400000e+00  1.2732700000e+00 -2.7644800000e+00 -3.3252900000e+00 -7.9360000000e-02  3.2577000000e-01  1.7463900000e+00  1.6724000000e-01 -2.5482000000e-01  9.9233000000e-01  6.4560000000e-02 -2.1025000000e-01  2.4981300000e+00 -8.5360000000e-02 -1.7517900000e+00 -1.5613600000e+00 -4.3565100000e+00 -1.7103100000e+00 -6.0586000000e-01 -4.3174900000e+00 -1.1400300000e+00 -1.8558900000e+00 -3.6818000000e+00 -1.8083700000e+00 -2.8934400000e+00  3.0141300000e+00 -1.4219000000e+00 -2.0178100000e+00  3.0019800000e+00 -1.6293200000e+00 -3.2225900000e+00  3.8949400000e+00  2.4817900000e+00  1.3532000000e-01 -5.2297000000e-01  3.0232300000e+00  6.3949000000e-01  8.4380000000e-02  1.6197000000e+00  5.4860000000e-01 -4.7574000000e-01  2.5880000000e-02 -2.0857000000e-01  2.7656600000e+00  1.6763000000e-01 -3.8816000000e-01  1.8362000000e+00  5.3760000000e-01  5.8176000000e-01  2.9381500000e+00
ENERGY -9.171618643635e+02
EMD0 -3.090008740000e+02
FORCES  -5.6326000000e-03  2.9195000000e-03  1.1846500000e-02 -4.1216000000e-03 -2.2565000000e-03  2.8169000000e-03 -9.3253000000e-03  1.3488000000e-03 -9.9058000000e-03 -5.3323000000e-03 -2.3742400000e-02  1.5831000000e-03  1.4957100000e-02  1.0948000000e-02  7.5590000000e-04 -1.0265900000e-02  1.4873900000e-02  5.1203000000e-03  5.0996000000e-03  5.7420000000e-04 -8.5280000000e-04 -3.7161000000e-03 -6.3727000000e-03  3.9888000000e-03 -1.6480000000e-03  8.8401000000e-03 -7.7395000000e-03  1.7018000000e-03  1.9310000000e-03  1.4800000000e-05  1.8825000000e-03  6.4182000000e-03 -1.4180000000e-04 -2.3803000000e-03 -6.4506000000e-03 -1.0374000000e-03  9.7563000000e-03  8.8198000000e-03  6.5418000000e-03  4.1524000000e-03  5.3276000000e-03  7.1300000000e-05 -1.7721000000e-02 -1.3519600000e-02 -8.5664000000e-03  1.2810200000e-02 -5.1410000000e-04 -9.9849000000e-03  9.9379000000e-03 -1.4921000000e-03  1.9433000000e-02 -8.0810000000e-04 -1.0145400000e-02 -7.3919000000e-03  4.9607000000e-03  2.8070000000e-03  3.1670000000e-03 -1.8272000000e-03  3.1524000000e-03 -1.3822700000e-02 -1.7270000000e-04 -3.3925000000e-03  7.3641000000e-03 -6.9987000000e-03 -1.1243800000e-02 -1.0379300000e-02  9.5318000000e-03  1.8348200000e-02  9.7400000000e-05  1.4563000000e-03 -8.7521000000e-03  6.3062000000e-03  1.7466000000e-03  3.3498000000e-03 -1.7417000000e-03 -1.3732000000e-03 -7.4449000000e-03  2.0700000000e-03 -1.5891000000e-03  2.9455000000e-03 -3.3230000000e-04 -1.9240000000e-04 -3.5661000000e-03 -2.4661000000e-03 -6.0699000000e-03 -9.5853000000e-03 -4.1960000000e-04  2.1087000000e-03  6.4723000000e-03  1.0727000000e-03  4.7075000000e-03  8.3691000000e-03  7.0225000000e-03 -9.2678000000e-03 -5.0447000000e-03 -7.9166000000e-03  1.2420000000e-04 -1.2499000000e-02  2.8188000000e-03  1.0733400000e-02  1.0106200000e-02  1.7063000000e-03  3.0700000000e-04  5.0258000000e-03  4.9346000000e-03 -7.5318000000e-03  3.4446000000e-03 -6.0332000000e-03

JOB 218
COORDS   2.5486100000e+00  1.6043100000e+00  2.3362800000e+00  2.0940100000e+00  7.6195000000e-01  2.3338000000e+00  3.0736200000e+00  1.5913200000e+00  3.1365500000e+00 -4.7945000000e-01 -2.4151800000e+00 -9.6263000000e-01 -9.6779000000e-01 -2.4196300000e+00 -1.3939000000e-01  1.6929000000e-01 -1.7199400000e+00 -8.5308000000e-01 -2.0604100000e+00 -1.0590600000e+00 -2.8098500000e+00 -1.9426500000e+00 -1.5357200000e+00 -3.6315300000e+00 -1.6588600000e+00 -1.6207500000e+00 -2.1469000000e+00 -4.1737000000e-01  3.7889100000e+00 -3.1322500000e+00 -6.6533000000e-01  4.5763600000e+00 -2.6478200000e+00 -1.2463500000e+00  3.3429400000e+00 -3.3058400000e+00  1.9405600000e+00 -1.7605800000e+00  2.5904000000e-01  2.3622400000e+00 -2.5095700000e+00 -1.6220000000e-01  2.4120900000e+00 -9.9883000000e-01 -7.8040000000e-02 -7.3431000000e-01  1.4893700000e+00  1.5456200000e+00 -5.3785000000e-01  1.4829900000e+00  6.0882000000e-01 -3.7414000000e-01  2.3183600000e+00  1.8607100000e+00 -1.9006600000e+00 -2.7334800000e+00  1.4424200000e+00 -1.1875700000e+00 -2.7570000000e+00  2.0805300000e+00 -2.6439500000e+00 -3.1281000000e+00  1.8985100000e+00  2.1603000000e-01  1.6393900000e+00 -1.3684300000e+00 -2.8095000000e-01  1.0964900000e+00 -1.9804000000e+00  8.5400000000e-03  2.5386700000e+00 -1.6223300000e+00 -2.4401000000e+00  1.7981100000e+00 -3.1575700000e+00 -2.1869300000e+00  8.7667000000e-01 -3.1021300000e+00 -3.3615400000e+00  1.8098100000e+00 -2.8986700000e+00 -2.1095000000e-01 -2.6757100000e+00  3.9022600000e+00  2.0058000000e-01 -1.8998600000e+00  3.5215600000e+00 -6.9669000000e-01 -2.3436600000e+00  4.6572700000e+00  2.7746600000e+00  7.0971000000e-01 -5.3318000000e-01  2.9370600000e+00  1.2917100000e+00  2.0920000000e-01  1.8825000000e+00  9.1784000000e-01 -8.1062000000e-01  8.4235000000e-01 -4.4469000000e-01  2.4374500000e+00  1.1819700000e+00 -9.0478000000e-01  1.6698600000e+00  1.8876000000e-01  1.5954000000e-01  2.0853600000e+00
ENERGY -9.171922848903e+02
EMD0 -3.531015650000e+02
FORCES  -1.1744600000e-02 -1.2414800000e-02  4.1065000000e-03  1.2119000000e-02  1.0347800000e-02 -4.7146000000e-03 -2.7810000000e-03 -4.4011000000e-03  1.8190000000e-04  7.5896000000e-03 -9.2286000000e-03  1.4091800000e-02  1.0405700000e-02  9.8477000000e-03 -1.0262100000e-02 -1.0406700000e-02  3.5106000000e-03 -2.0797000000e-03  4.4254000000e-03 -1.2413600000e-02  1.5025300000e-02  2.2623000000e-03 -1.0019000000e-03  3.3783000000e-03 -1.0816800000e-02  8.2874000000e-03 -1.7587500000e-02 -1.6396000000e-03 -4.2553000000e-03 -1.2112400000e-02 -3.7429000000e-03 -6.6363000000e-03  1.8007000000e-03  8.3789000000e-03  1.2475800000e-02  6.5986000000e-03  2.3046000000e-03  5.3661000000e-03  2.6375000000e-03  4.7980000000e-03  7.7465000000e-03 -4.7583000000e-03 -1.1434900000e-02 -2.1332800000e-02  3.0582000000e-03  1.0533000000e-03 -2.9658000000e-03 -1.4710000000e-04  8.0380000000e-04  7.4410000000e-04  1.5002800000e-02 -1.8492000000e-03 -1.0220000000e-03 -5.8416000000e-03  8.2000000000e-04 -2.0187000000e-03  2.5326000000e-03 -6.6708000000e-03  1.0760000000e-03 -1.0852300000e-02  2.6620000000e-03  4.1420000000e-04  4.4154000000e-03  2.2585000000e-03  1.2840400000e-02 -1.5407000000e-02  1.3178000000e-03  2.2959000000e-03  1.2452000000e-03 -4.3356000000e-03 -1.0419200000e-02  1.1398400000e-02  2.6210000000e-03 -9.4376000000e-03 -6.2590000000e-04 -2.5556000000e-03  1.5484700000e-02  4.1990000000e-04  1.3362000000e-03 -2.5945000000e-03 -3.8050000000e-04  8.2029000000e-03  4.3648000000e-03  8.1000000000e-05 -1.1380600000e-02 -1.2423900000e-02  7.1415000000e-03  2.1820000000e-03  3.2720000000e-03 -2.5482000000e-03 -9.7650000000e-04  9.4888000000e-03 -2.8053000000e-03 -5.9817000000e-03 -2.5170000000e-03 -9.8956000000e-03  8.7677000000e-03 -9.6347000000e-03  1.1264200000e-02 -8.8321000000e-03  1.2752500000e-02 -6.0926000000e-03 -6.6901000000e-03  1.8141400000e-02  5.5809000000e-03  1.7530200000e-02 -1.3738800000e-02 -3.8500000000e-03

JOB 219
COORDS   3.4759200000e+00  1.4481200000e+00  2.0891600000e+00  2.8923400000e+00  1.5728500000e+00  2.8375700000e+00  2.9463400000e+00  1.6891400000e+00  1.3291000000e+00 -1.2603500000e+00 -1.6718500000e+00 -5.3204000000e-01 -1.7825800000e+00 -2.1680600000e+00  9.8270000000e-02 -3.7024000000e-01 -1.6999400000e+00 -1.8111000000e-01 -2.1823300000e+00 -1.1524100000e+00 -3.1653300000e+00 -2.4981700000e+00 -1.7997700000e+00 -3.7957300000e+00 -1.6487600000e+00 -1.6563100000e+00 -2.5508200000e+00  1.6467500000e+00  2.3963900000e+00 -2.8087800000e+00  8.0954000000e-01  2.0460600000e+00 -2.5045300000e+00  1.5101500000e+00  2.5696200000e+00 -3.7402100000e+00  1.3653800000e+00 -1.1508800000e+00  6.5170000000e-02  1.8676600000e+00 -1.7201100000e+00 -5.1786000000e-01  1.7451200000e+00 -2.8154000000e-01 -6.2460000000e-02 -1.5723300000e+00  7.4731000000e-01  1.0499900000e+00 -1.5759300000e+00 -8.0640000000e-02  5.6966000000e-01 -1.4522500000e+00  1.4156400000e+00  3.7534000000e-01 -2.1141000000e+00 -3.2615900000e+00  1.4434000000e+00 -1.7361000000e+00 -2.5810100000e+00  2.0003300000e+00 -2.9185100000e+00 -3.5203300000e+00  1.8930700000e+00 -5.2221000000e-01  2.4832200000e+00 -9.8493000000e-01 -1.2873500000e+00  2.2049000000e+00 -1.4882500000e+00 -4.6475000000e-01  3.4264400000e+00 -1.1374500000e+00 -2.7417200000e+00  1.4792900000e+00 -1.8229900000e+00 -2.5081300000e+00  7.8464000000e-01 -2.4387300000e+00 -3.2861300000e+00  1.0449000000e+00 -1.1663800000e+00 -4.7029000000e-01 -1.3450700000e+00  2.5224600000e+00  4.3256000000e-01 -1.0789200000e+00  2.6963800000e+00 -8.9748000000e-01 -5.5026000000e-01  2.2030500000e+00  1.9611200000e+00  1.6603500000e+00 -2.9506000000e-01  1.0145400000e+00  1.7968100000e+00 -3.3482000000e-01  2.2921600000e+00  2.0355400000e+00 -1.1110700000e+00  2.5276700000e+00 -1.6877800000e+00  2.6094300000e+00  2.0985800000e+00 -1.7141100000e+00  1.7542000000e+00  3.0292000000e+00 -8.7253000000e-01  2.6013000000e+00
ENERGY -9.171777147044e+02
EMD0 -3.330807100000e+02
FORCES   1.9054000000e-03  6.5085000000e-03 -9.6184000000e-03 -2.1248000000e-03 -2.4171000000e-03 -5.5405000000e-03  2.4969000000e-03 -8.8680000000e-04  1.4947500000e-02  4.7016000000e-03 -1.3362400000e-02  9.1671000000e-03  9.9137000000e-03  1.7440100000e-02  2.9930000000e-04 -1.3437400000e-02 -4.6364000000e-03 -1.0087000000e-03  6.2460000000e-04 -9.2660000000e-04  6.7390000000e-03  4.4983000000e-03 -4.3125000000e-03  4.8163000000e-03 -3.6577000000e-03 -2.6760000000e-03 -1.8267900000e-02  3.2037000000e-03 -1.1519000000e-03  9.9178000000e-03  6.3359000000e-03  1.6047000000e-03 -6.2953000000e-03 -8.3582000000e-03 -2.2991000000e-03  3.3609000000e-03 -3.9094000000e-03  1.3812900000e-02  2.0186000000e-03 -1.4370000000e-03  4.2681000000e-03  1.8966000000e-03 -1.5671000000e-03 -1.9335500000e-02  4.1560000000e-04  5.4542000000e-03  2.4390000000e-04 -5.8345000000e-03  1.2030000000e-03  8.8026000000e-03  1.4518900000e-02 -5.9402000000e-03 -8.5077000000e-03 -3.1166000000e-03  1.3498500000e-02 -4.2000000000e-05  4.7790000000e-04 -1.9849400000e-02 -1.9693000000e-03 -1.2438500000e-02  3.0533000000e-03  5.0927000000e-03  3.5567000000e-03 -1.4995500000e-02 -1.1532400000e-02  1.5520000000e-03  2.2420700000e-02  1.1319800000e-02  2.7682000000e-03 -4.6233000000e-03 -4.7919000000e-03 -6.2632000000e-03  1.8612000000e-03 -5.4710000000e-04  3.3013000000e-03  9.6840000000e-04  1.3598000000e-02  9.4091000000e-03  1.3898000000e-03 -1.6424000000e-03 -3.8069000000e-03  9.6961000000e-03 -1.3215000000e-03  2.3150000000e-04 -8.9019000000e-03  1.0426700000e-02 -5.1592000000e-03  1.2897000000e-03 -1.1527000000e-02 -3.5515000000e-03 -7.1990000000e-03  1.1838100000e-02 -1.2843300000e-02  1.0407500000e-02 -4.8624000000e-03 -2.9201000000e-03 -8.1871000000e-03 -1.1958000000e-03  5.4559000000e-03  4.0705000000e-03 -3.2270000000e-03 -7.2466000000e-03  2.8414000000e-03  2.8952000000e-03  9.0385000000e-03 -7.6464000000e-03 -4.6803000000e-03  2.2400000000e-05

JOB 220
COORDS   8.4637000000e-01  9.3725000000e-01  1.4762900000e+00 -6.7940000000e-02  1.1201500000e+00  1.6926700000e+00  1.1611200000e+00  1.7419500000e+00  1.0644500000e+00 -8.5495000000e-01 -9.5418000000e-01 -4.8990000000e-02 -1.1062000000e+00 -1.8151300000e+00  2.8547000000e-01  4.9990000000e-02 -8.3886000000e-01  2.4085000000e-01 -1.1143800000e+00 -1.1899000000e-01 -2.9366900000e+00 -2.2146000000e-01  1.9605000000e-01 -3.0769700000e+00 -1.0459400000e+00 -7.0731000000e-01 -2.1847400000e+00  3.1880700000e+00 -1.2270400000e+00 -1.6685600000e+00  3.5545500000e+00 -1.8818100000e+00 -2.2628600000e+00  3.8607600000e+00 -1.1083000000e+00 -9.9803000000e-01  1.3946200000e+00  4.8632000000e-01 -2.5167700000e+00  2.0933200000e+00  2.6600000000e-03 -2.0761700000e+00  1.0620200000e+00  1.0877400000e+00 -1.8505200000e+00 -2.0362700000e+00  1.0322500000e+00  1.6836300000e+00 -1.7335000000e+00  3.6299000000e-01  1.0699100000e+00 -2.3574500000e+00  1.7411700000e+00  1.1263900000e+00 -4.6716000000e-01 -3.5381300000e+00  1.5866400000e+00 -1.2999000000e-01 -4.1049200000e+00  8.9289000000e-01  2.4408000000e-01 -3.4917900000e+00  2.2255700000e+00 -1.9063400000e+00  3.3883700000e+00 -1.3403900000e+00 -2.1457600000e+00  2.6348400000e+00 -1.8799400000e+00 -2.7221400000e+00  3.6442700000e+00 -9.1002000000e-01 -3.3861800000e+00  1.2058800000e+00 -2.4751000000e+00 -2.5876300000e+00  7.1643000000e-01 -2.6725300000e+00 -4.0764200000e+00  7.3911000000e-01 -2.9462000000e+00  1.2617800000e+00 -3.4261800000e+00  3.6651800000e+00  1.5638700000e+00 -2.5197900000e+00  3.6065100000e+00  5.6288000000e-01 -3.4043700000e+00  4.3188500000e+00  6.3833000000e-01  2.6967100000e+00 -8.3581000000e-01 -2.1728000000e-01  3.0564300000e+00 -1.0698300000e+00  1.2551900000e+00  3.1530600000e+00 -1.4080500000e+00  2.3441100000e+00 -5.1137000000e-01  3.4098800000e+00  2.6049200000e+00  1.0930000000e-01  4.0903000000e+00  1.8728000000e+00  2.0010000000e-02  2.7682100000e+00
ENERGY -9.171805644835e+02
EMD0 -3.346144900000e+02
FORCES  -1.2338100000e-02  4.4955000000e-03 -4.9654000000e-03  1.3379800000e-02 -9.0360000000e-04 -6.5002000000e-03 -1.0964000000e-03 -2.2386000000e-03  9.3417000000e-03  4.3671000000e-03 -1.9158000000e-03  3.9418000000e-03  2.0542000000e-03  8.3730000000e-03 -6.8627000000e-03 -6.6537000000e-03 -5.8433000000e-03 -8.7340000000e-04  1.9343500000e-02  3.7728000000e-03  3.9162000000e-03 -1.2049000000e-02  1.0196000000e-03  3.3730000000e-03 -1.4672000000e-03  1.8980000000e-03 -9.0661000000e-03 -1.2249900000e-02  6.9719000000e-03 -6.3198000000e-03  4.7620000000e-03  8.2470000000e-04  6.0722000000e-03  8.3310000000e-04 -2.9968000000e-03 -5.4521000000e-03  1.2380000000e-03 -1.2846400000e-02  1.4381000000e-03 -5.7162000000e-03  1.2875400000e-02  5.8545000000e-03  6.3307000000e-03 -1.0081500000e-02 -7.1574000000e-03 -6.2566000000e-03 -9.5463000000e-03 -3.1687000000e-03  1.7818000000e-03  1.6137200000e-02  1.0094600000e-02  2.8550000000e-03 -2.9878000000e-03 -3.6200000000e-04  9.0461000000e-03 -2.7662000000e-03  1.9945800000e-02  2.7255000000e-03  3.5719000000e-03  2.2376000000e-03 -8.8283000000e-03 -4.0150000000e-04 -1.4623900000e-02 -2.1105000000e-03 -1.5154000000e-03 -2.7839000000e-03  9.1269000000e-03  5.7841000000e-03  7.5481000000e-03 -8.4360000000e-04 -3.0252000000e-03 -7.6600000000e-04  1.3279400000e-02 -7.0035000000e-03 -3.4389000000e-03 -2.0320500000e-02  9.8812000000e-03  4.0583000000e-03  4.1308000000e-03 -4.8647000000e-03 -6.5180000000e-04  6.2414000000e-03 -3.5360000000e-04  1.1775000000e-03 -1.2493100000e-02 -1.2918200000e-02  2.8500000000e-05  1.1711000000e-03  4.4246000000e-03 -4.0705000000e-03 -1.9387900000e-02  4.8631000000e-03  2.8365000000e-03  1.9258400000e-02 -4.1771000000e-03 -6.0288000000e-03 -5.1913000000e-03 -3.1695000000e-03 -1.3409000000e-03 -3.0461000000e-03  6.3838000000e-03 -7.8949000000e-03 -2.2104000000e-03  3.3246000000e-03 -4.0621000000e-03  1.0333900000e-02 -5.0467000000e-03  1.4525300000e-02

JOB 221
COORDS  -4.3568000000e-01  8.0562000000e-01  2.6420300000e+00 -8.5044000000e-01  1.5832500000e+00  2.2685300000e+00 -7.1523000000e-01  8.8070000000e-02  2.0735200000e+00 -1.3750500000e+00 -1.3768000000e+00  1.1543500000e+00 -1.8241500000e+00 -1.4702900000e+00  3.1423000000e-01 -4.9323000000e-01 -1.7127200000e+00  9.9377000000e-01 -9.1594000000e-01 -5.4950000000e-02 -4.5643800000e+00 -6.5759000000e-01 -5.6465000000e-01 -3.7964600000e+00 -6.0925000000e-01 -5.7154000000e-01 -5.3095800000e+00  6.6334000000e-01 -3.4937500000e+00 -5.6214000000e-01  1.5475500000e+00 -3.1741600000e+00 -3.8249000000e-01  7.3423000000e-01 -3.9319900000e+00 -1.4101700000e+00 -1.4182000000e-01 -1.1675900000e+00 -2.0325200000e+00  9.7740000000e-02 -1.9299700000e+00 -1.5056300000e+00 -1.3503000000e-01 -4.3687000000e-01 -1.4142600000e+00 -1.4816400000e+00  3.4163500000e+00  1.7390300000e+00 -2.0590700000e+00  4.0908900000e+00  2.0965300000e+00 -1.6763400000e+00  3.4057900000e+00  8.0190000000e-01  3.2858700000e+00 -2.3065300000e+00 -4.8690000000e-02  3.0856500000e+00 -1.3712900000e+00 -8.7000000000e-02  3.1493700000e+00 -2.5437900000e+00  8.6854000000e-01 -1.5711800000e+00  3.6302500000e+00 -1.0230900000e+00 -1.9712500000e+00  3.1332200000e+00 -1.7366300000e+00 -1.2164800000e+00  4.4127600000e+00 -1.4450900000e+00 -2.2227400000e+00  2.4144000000e+00 -3.4849300000e+00 -2.8301000000e+00  2.5810800000e+00 -4.2057400000e+00 -1.6792900000e+00  1.6887100000e+00 -3.7919600000e+00  2.4339400000e+00 -2.6333000000e+00  2.5188800000e+00  1.8804100000e+00 -3.1765300000e+00  3.0799100000e+00  2.5220600000e+00 -1.8079300000e+00  2.9955600000e+00  2.1998000000e-01  9.7590000000e-01 -3.4434000000e-01 -1.0829000000e-01  1.7795500000e+00 -7.4760000000e-01  4.8175000000e-01  1.2396300000e+00  5.3779000000e-01  1.5815600000e+00 -3.1999000000e-01  4.1046200000e+00  8.6042000000e-01  3.4320000000e-02  3.5843700000e+00  1.8350300000e+00  3.9845000000e-01  4.6841200000e+00
ENERGY -9.171857872072e+02
EMD0 -3.504916270000e+02
FORCES  -1.0679100000e-02  8.3160000000e-04  5.5357000000e-03  5.4963000000e-03 -1.6582600000e-02 -7.9915000000e-03  1.3416100000e-02  1.1679700000e-02  2.5668000000e-03 -5.3726000000e-03 -1.5752000000e-03 -1.5220000000e-04  3.8977000000e-03 -2.5493000000e-03  1.4646000000e-03 -3.1428000000e-03  9.4634000000e-03  1.3580000000e-04  1.9830000000e-03 -3.1553000000e-03  5.3427000000e-03 -2.9370000000e-03  5.1979000000e-03 -1.7480400000e-02  1.3985000000e-03 -4.7106000000e-03  4.5624000000e-03  9.1373000000e-03 -5.0157000000e-03  6.9877000000e-03 -1.7205100000e-02 -4.2857000000e-03 -5.6248000000e-03  2.5394000000e-03  6.7440000000e-03  5.0730000000e-04  7.3542000000e-03 -8.7150000000e-04  8.3174000000e-03 -1.4464000000e-03  1.2285700000e-02 -1.4849000000e-03 -4.1265000000e-03 -1.2091500000e-02 -4.4198000000e-03  6.6140000000e-04  2.5350000000e-03 -5.6699000000e-03 -1.0398000000e-03  1.7147000000e-03 -7.0038000000e-03 -2.3367000000e-03 -4.9810000000e-04  1.5107800000e-02  7.7364000000e-03 -7.9140000000e-04  1.0676300000e-02 -1.8616000000e-03 -3.4813000000e-03  4.4798000000e-03 -1.0101000000e-03  6.5958000000e-03 -1.5019800000e-02 -5.8347000000e-03 -1.1027000000e-03 -5.2862000000e-03  8.1078000000e-03  8.3854000000e-03  1.1959600000e-02 -2.4107000000e-03 -2.0256000000e-03 -2.7688000000e-03  2.2346000000e-03 -5.6926000000e-03 -1.8790000000e-03  2.9302000000e-03 -2.4333000000e-03 -2.1620000000e-03 -7.6288000000e-03  1.1463800000e-02  3.3855000000e-03  1.9640000000e-04  2.2920000000e-03  5.7670000000e-04  6.2900000000e-04  3.7943000000e-03  2.5521000000e-03  2.0030000000e-03 -1.1807800000e-02 -7.3710000000e-03 -4.5370000000e-04 -4.0905000000e-03  1.7705000000e-03  3.6642000000e-03 -5.9656000000e-03  4.6573000000e-03 -2.2949000000e-03  4.4806000000e-03 -7.3380000000e-03 -1.2885900000e-02  6.6285000000e-03 -3.2665000000e-03  1.2142700000e-02 -7.3250000000e-03  6.4440000000e-03 -2.8618000000e-03  1.9586000000e-03 -2.1114000000e-03

JOB 222
COORDS  -1.0523200000e+00 -1.1781000000e-01  1.4241900000e+00 -1.8802500000e+00  3.5570000000e-01  1.3433000000e+00 -1.3097200000e+00 -1.0287400000e+00  1.5662900000e+00 -1.7431400000e+00 -2.5118400000e+00  1.4735300000e+00 -1.8225600000e+00 -3.4028200000e+00  1.8142300000e+00 -1.4752700000e+00 -2.6265400000e+00  5.6176000000e-01 -6.9900000000e-02  2.8504000000e-01 -1.1230900000e+00  3.6168000000e-01 -4.9160000000e-01 -1.4791800000e+00 -4.1035000000e-01  2.4500000000e-03 -2.7429000000e-01 -1.5249200000e+00 -3.0622100000e+00 -1.3057800000e+00 -1.8696500000e+00 -2.2449800000e+00 -1.6656700000e+00 -5.8331000000e-01 -2.9104100000e+00 -1.2247300000e+00  1.0820300000e+00 -2.2446800000e+00 -1.6104100000e+00  1.6992800000e+00 -1.6810100000e+00 -1.1440300000e+00  1.5500700000e+00 -2.5095900000e+00 -2.4022400000e+00 -3.0074200000e+00  1.9586500000e+00  9.8102000000e-01 -3.1437900000e+00  2.2958800000e+00  1.8664100000e+00 -2.5962600000e+00  2.6828300000e+00  5.0907000000e-01  2.6775700000e+00 -8.9094000000e-01  2.0870000000e-02  2.6879400000e+00  4.1740000000e-02  2.3589000000e-01  2.5925200000e+00 -1.3312400000e+00  8.6653000000e-01  4.3556000000e-01  3.9853200000e+00 -2.8328600000e+00 -4.0735000000e-01  3.5962000000e+00 -2.5998200000e+00  2.2783000000e-01  4.6088600000e+00 -3.5287600000e+00 -1.7740400000e+00  2.5042300000e+00 -2.2956000000e+00 -2.4791500000e+00  1.9881800000e+00 -2.6864300000e+00 -1.0645000000e+00  1.8764400000e+00 -2.1590100000e+00  2.0480800000e+00 -2.2537900000e+00  2.5122500000e+00  2.2905200000e+00 -2.9321200000e+00  3.1425900000e+00  1.3232100000e+00 -1.7874000000e+00  2.9285100000e+00  2.0264900000e+00  2.0456900000e+00 -3.7876000000e-01  2.3334500000e+00  2.6155500000e+00 -1.0839400000e+00  1.3031200000e+00  1.5528500000e+00 -7.6615000000e-01  9.4688000000e-01  3.1908000000e-01  3.1926700000e+00  2.9643000000e-01  2.5851000000e-01  2.4930400000e+00  1.6772800000e+00  7.9757000000e-01  2.8005200000e+00
ENERGY -9.171765208477e+02
EMD0 -3.280325940000e+02
FORCES  -6.8094000000e-03 -1.2838600000e-02  1.0352200000e-02  4.8645000000e-03 -1.6195900000e-02  2.5685000000e-03  2.0340000000e-04  1.3111300000e-02 -1.2161700000e-02  8.5770000000e-04  1.4967800000e-02 -5.0372000000e-03  1.7724000000e-03 -1.6359000000e-03 -6.2902000000e-03  6.3472000000e-03  6.7529000000e-03  1.6205500000e-02 -7.3700000000e-05 -9.0283000000e-03  1.6252300000e-02 -7.0410000000e-04  3.9999000000e-03  8.6515000000e-03  7.1063000000e-03 -4.8829000000e-03 -2.0213900000e-02  6.9242000000e-03 -3.8758000000e-03 -1.1443300000e-02  4.1230000000e-03 -4.0510000000e-04  3.7145000000e-03 -1.7041200000e-02  2.0809000000e-03  9.6004000000e-03  8.2265000000e-03  3.8370000000e-03  1.6668700000e-02 -1.8335900000e-02 -5.9861000000e-03 -2.3809500000e-02  4.0436000000e-03  5.2076000000e-03  3.1243000000e-03 -9.3140000000e-04  5.6200000000e-04 -5.5429000000e-03  3.4109000000e-03  7.6150000000e-04 -3.9718000000e-03 -3.4621000000e-03  1.4927000000e-03  9.1462000000e-03  5.9560000000e-04 -1.6153000000e-03  6.9000000000e-04 -8.1390000000e-04 -1.2614900000e-02  9.1206000000e-03  6.6650000000e-04  1.3910800000e-02 -1.0098000000e-02 -8.1666000000e-03 -4.1023000000e-03  2.1866000000e-03  8.0963000000e-03  5.9700000000e-05 -1.2472000000e-03 -3.8354000000e-03 -1.7946000000e-03  1.3112000000e-03  3.9494000000e-03  1.5097000000e-03 -6.8140000000e-04  3.6235000000e-03 -3.6040000000e-03  1.3420000000e-03 -6.3345000000e-03  1.2779100000e-02 -9.5792000000e-03  7.1620000000e-04  7.3666000000e-03  7.1220000000e-04 -6.3030000000e-03  2.8556000000e-03  3.2165000000e-03  2.1794000000e-03 -1.5322600000e-02 -9.6610000000e-04 -7.8762000000e-03  1.6774000000e-03 -2.2799000000e-03 -2.6096000000e-03 -5.4276000000e-03 -8.1310000000e-04  1.3214500000e-02  7.1292000000e-03  5.2240000000e-04 -1.0446000000e-02  3.3916000000e-03 -3.4342000000e-03  1.7230900000e-02 -2.0623000000e-03  6.0524000000e-03 -4.4090000000e-03 -2.0613000000e-03 -3.8684000000e-03

JOB 223
COORDS  -7.3867000000e-01  5.0916000000e-01  3.8126000000e-01 -1.2820300000e+00  1.2962200000e+00  4.2027000000e-01 -1.3436600000e+00 -2.0948000000e-01  5.6507000000e-01 -2.1686900000e+00 -1.8353500000e+00  6.0428000000e-01 -3.0798900000e+00 -2.1283600000e+00  5.9400000000e-01 -1.7176100000e+00 -2.4332300000e+00  8.2100000000e-03  1.4809800000e+00  1.9604200000e+00  9.5857000000e-01  2.0431300000e+00  1.5955100000e+00  1.6419900000e+00  7.3148000000e-01  1.3661900000e+00  9.2166000000e-01 -8.3607000000e-01 -3.5120300000e+00 -9.1573000000e-01 -8.3030000000e-01 -3.4269100000e+00 -1.8691200000e+00  4.8680000000e-02 -3.2642400000e+00 -6.4731000000e-01  1.0026800000e+00 -1.8150400000e+00 -2.8385800000e+00  1.6233500000e+00 -2.0494400000e+00 -2.1486100000e+00  1.0285800000e+00 -8.5870000000e-01 -2.8699100000e+00 -2.2185100000e+00  2.7843100000e+00  1.0226600000e+00 -2.1268400000e+00  3.4240500000e+00  3.1657000000e-01 -2.8996500000e+00  3.1475300000e+00  1.5886500000e+00  1.9268400000e+00 -3.2715300000e+00 -6.3770000000e-02  2.3004700000e+00 -4.1394100000e+00 -2.1681000000e-01  2.0917200000e+00 -3.0993300000e+00  8.6326000000e-01 -1.5978700000e+00  4.2038400000e+00 -1.0290700000e+00 -1.8045600000e+00  4.8333000000e+00 -1.7199300000e+00 -7.9135000000e-01  3.7806400000e+00 -1.3234400000e+00  2.2259000000e-01  7.6178000000e-01 -2.4307000000e+00 -2.3427000000e-01  4.8683000000e-01 -1.6357700000e+00  6.6246000000e-01  1.5757500000e+00 -2.1853500000e+00  2.2861300000e+00 -1.8360400000e+00  2.5047200000e+00  2.4271400000e+00 -1.8435000000e+00  3.4514500000e+00  1.3893300000e+00 -1.5188100000e+00  2.3981600000e+00  9.8579000000e-01  3.1492100000e+00 -1.3780700000e+00  1.7952700000e+00  3.4872800000e+00 -1.7610600000e+00  1.2729500000e+00  2.6433600000e+00 -6.1788000000e-01 -3.4249000000e-01 -1.1688000000e+00  3.0995300000e+00 -5.5739000000e-01 -2.7123000000e-01  3.3533300000e+00 -7.7645000000e-01 -1.2898200000e+00  2.2549800000e+00
ENERGY -9.171881825065e+02
EMD0 -3.495669990000e+02
FORCES  -1.0284200000e-02 -4.5757000000e-03  3.9298000000e-03  1.0282200000e-02 -1.2845200000e-02 -6.2379000000e-03  7.4340000000e-03  1.4892100000e-02  4.7569000000e-03  9.8878000000e-03 -1.4699800000e-02 -1.5496900000e-02  1.7693000000e-03 -4.1653000000e-03 -5.1633000000e-03 -1.2983900000e-02  1.4142900000e-02  1.5279600000e-02 -7.6457000000e-03 -8.4020000000e-04 -5.2803000000e-03 -6.9621000000e-03 -3.4366000000e-03  2.4790000000e-03  1.3984000000e-02  1.0936100000e-02  1.9976000000e-03  6.2162000000e-03  2.1537000000e-03  1.9553000000e-03  6.6960000000e-04 -3.9715000000e-03  4.7591000000e-03 -1.5209400000e-02  1.8705000000e-03 -4.5636000000e-03 -4.3739000000e-03  1.4453300000e-02 -2.4014000000e-03 -2.9016000000e-03  5.0312000000e-03 -3.8532000000e-03  1.0005500000e-02 -1.3928500000e-02  2.8653000000e-03  6.1506000000e-03  7.2741000000e-03 -1.2748700000e-02 -4.0968000000e-03 -8.9185000000e-03  1.3601700000e-02 -2.1010000000e-04  6.3238000000e-03 -4.7196000000e-03  3.9491000000e-03  5.2555000000e-03  6.3224000000e-03  1.1080000000e-04  2.1878000000e-03  4.7050000000e-03 -3.5190000000e-03 -1.1487100000e-02 -1.1273800000e-02  3.3725000000e-03 -9.2601000000e-03  1.1857900000e-02  6.6379000000e-03 -1.8569000000e-03 -2.8451000000e-03 -1.5959000000e-02  5.9731000000e-03 -2.5784000000e-03 -2.4386000000e-03  8.2692000000e-03  6.9148000000e-03  5.4406000000e-03  4.4569000000e-03 -7.7161000000e-03  6.1880000000e-04 -8.7843000000e-03  3.4444000000e-03 -8.9239000000e-03  3.8748000000e-03  6.8795000000e-03 -1.0902000000e-03  3.1708000000e-03 -6.5000000000e-04  1.0029000000e-02 -4.2135000000e-03 -5.8653000000e-03 -2.2930000000e-03 -3.6105000000e-03  1.6226500000e-02  1.3822000000e-03 -5.8806000000e-03  2.9967000000e-03 -4.6411000000e-03  9.6250000000e-04 -2.2867400000e-02 -5.0681000000e-03 -3.4762000000e-03  1.3137000000e-03 -3.7570000000e-04 -2.6098000000e-03 -2.5964000000e-03  1.1036100000e-02  7.3323000000e-03  4.5722000000e-03

JOB 224
COORDS  -1.3959100000e+00  1.3272300000e+00 -2.9624000000e-01 -2.2191600000e+00  1.8154200000e+00 -3.0891000000e-01 -1.4858800000e+00  7.2410000000e-01  4.4158000000e-01 -1.0556500000e+00 -2.3378000000e-01  2.1207400000e+00 -3.8102000000e-01 -8.5450000000e-01  1.8454100000e+00 -9.5914000000e-01 -1.8057000000e-01  3.0715700000e+00  8.7257000000e-01  2.8208000000e+00 -2.0131000000e-01  1.5112700000e+00  2.1267300000e+00 -3.6430000000e-01  2.2290000000e-02  2.3950100000e+00 -3.1072000000e-01  1.5140900000e+00 -1.8663300000e+00  7.2036000000e-01  2.2102500000e+00 -1.5130800000e+00  1.6646000000e-01  1.1149500000e+00 -2.5578500000e+00  1.9243000000e-01  2.2661400000e+00 -3.2190000000e-02 -1.6113600000e+00  2.7860200000e+00 -9.1250000000e-02 -2.4129100000e+00  1.3833600000e+00  1.8199000000e-01 -1.9131200000e+00 -3.8356900000e+00  3.0625800000e+00 -1.5237000000e-01 -3.3028200000e+00  3.6784100000e+00 -6.5540000000e-01 -4.6798000000e+00  3.5024600000e+00 -5.1360000000e-02  1.3990000000e-01 -4.3526200000e+00  2.9890000000e-01 -4.5487000000e-01 -4.9946900000e+00 -8.8680000000e-02  3.3566000000e-01 -4.7011700000e+00  1.1686200000e+00 -1.8651600000e+00  4.4885500000e+00 -1.4181000000e+00 -1.4832300000e+00  5.1689400000e+00 -8.6363000000e-01 -1.1255600000e+00  4.1432000000e+00 -1.9180600000e+00 -4.0041000000e-01  3.8628000000e-01 -2.7855100000e+00 -1.1335900000e+00  2.6961000000e-01 -2.1812900000e+00 -3.6114000000e-01  1.3308100000e+00 -2.9356700000e+00  1.0679800000e+00 -5.6130200000e+00  2.8329200000e+00  1.3305600000e+00 -6.2340500000e+00  3.5123400000e+00  1.4431600000e+00 -4.7781200000e+00  3.1129600000e+00  1.6409000000e-01  3.2507700000e+00 -2.7277200000e+00  6.5523000000e-01  3.8144600000e+00 -3.3254400000e+00  6.9065000000e-01  3.2318500000e+00 -1.9285900000e+00  2.4394200000e+00 -3.2755000000e+00  3.2235300000e+00  3.3676900000e+00 -3.0551000000e+00  3.3007700000e+00  2.1553100000e+00 -2.8396200000e+00  2.4200800000e+00
ENERGY -9.171825922788e+02
EMD0 -3.395184780000e+02
FORCES   3.3596000000e-03  2.8820000000e-04  9.5738000000e-03  9.5876000000e-03 -6.5191000000e-03  4.0500000000e-05 -6.1400000000e-03  4.3016000000e-03 -1.3167200000e-02 -1.0247000000e-03  3.3915000000e-03 -1.5400000000e-04 -6.7959000000e-03  3.9782000000e-03  8.0317000000e-03  4.4198000000e-03 -5.3852000000e-03 -1.4233000000e-03 -1.6261900000e-02 -9.9024000000e-03  1.4037500000e-02 -6.7568000000e-03  4.9264000000e-03 -6.6068000000e-03  1.9381200000e-02  1.1904200000e-02 -1.2059300000e-02 -4.1434000000e-03  3.6669000000e-03 -9.7770000000e-03 -6.5400000000e-04 -1.1609700000e-02  4.0105000000e-03  1.0408400000e-02  1.0521300000e-02  1.4474000000e-03 -1.0894500000e-02 -2.3093000000e-03 -4.6017000000e-03 -3.2708000000e-03  1.2679000000e-03 -1.4880000000e-04  1.9745400000e-02  4.3407000000e-03  3.6852000000e-03  5.7901000000e-03  8.2310000000e-04 -2.9862000000e-03 -1.4512800000e-02 -5.4165000000e-03  8.4689000000e-03  4.1463000000e-03  6.4719000000e-03 -3.2453000000e-03  1.4622000000e-03 -3.2778000000e-03  2.1225000000e-03  4.3200000000e-04 -2.4214000000e-03  4.7268000000e-03 -4.7886000000e-03  6.5276000000e-03 -8.0783000000e-03  6.7307000000e-03 -1.2481500000e-02 -9.5792000000e-03  2.9579000000e-03 -1.7476000000e-03 -4.2328000000e-03 -3.3593000000e-03  1.2464300000e-02  1.3014000000e-02 -8.7465000000e-03  5.3080000000e-03  2.9242000000e-03  2.0300000000e-04  1.8520000000e-04 -7.7225000000e-03  1.6640000000e-04 -9.9342000000e-03  3.3357000000e-03  6.6698000000e-03  5.2574000000e-03  5.5980000000e-04  3.0319000000e-03  5.0090000000e-03  2.8752000000e-03 -1.0519600000e-02 -1.0724600000e-02 -2.7558000000e-03  1.1077000000e-03 -6.4727000000e-03  1.7353300000e-02  2.7145000000e-03  6.5040000000e-04  8.2697000000e-03 -7.8777000000e-03  4.0399000000e-03 -2.3028400000e-02 -2.7063000000e-03 -9.9980000000e-04 -3.6200000000e-03 -1.5964000000e-03  3.7411000000e-03 -4.2903000000e-03  7.7346000000e-03 -9.8632000000e-03  1.3000300000e-02

JOB 225
COORDS  -4.6631000000e-01  2.2056200000e+00  8.0523000000e-01 -1.4069400000e+00  2.1455100000e+00  6.3840000000e-01 -3.3197000000e-01  1.7000900000e+00  1.6068700000e+00 -6.8324000000e-01  1.2587000000e-01  2.5872600000e+00  5.7930000000e-02 -4.2974000000e-01  2.8284900000e+00 -1.2493100000e+00 -4.4254000000e-01  2.0650500000e+00  2.9273000000e-01  4.4524900000e+00 -8.1440000000e-01  6.9479000000e-01  5.0119900000e+00 -1.4992000000e-01 -1.4311000000e-01  3.7619500000e+00 -3.1496000000e-01  1.2209900000e+00 -1.8191400000e+00  2.0709000000e+00  1.7057800000e+00 -1.5477700000e+00  1.2914300000e+00  3.7828000000e-01 -2.1246400000e+00  1.7351300000e+00  1.6123400000e+00 -1.6132900000e+00 -8.9034000000e-01  2.2292900000e+00 -1.7700700000e+00 -1.6052000000e+00  1.2616900000e+00 -7.3958000000e-01 -1.0632300000e+00 -2.9349000000e+00  2.1874500000e+00  1.7421000000e-01 -2.9904800000e+00  1.6440400000e+00 -6.1182000000e-01 -3.4757200000e+00  2.9519900000e+00 -2.3860000000e-02 -1.4472100000e+00 -2.8436900000e+00  9.3689000000e-01 -2.2533800000e+00 -2.9010100000e+00  4.2402000000e-01 -8.9190000000e-01 -3.5418900000e+00  5.8993000000e-01 -2.2865500000e+00  1.5733200000e+00 -2.4260100000e+00 -1.6703700000e+00  8.4346000000e-01 -2.3639100000e+00 -1.7335500000e+00  2.3546100000e+00 -2.4297600000e+00  3.2951000000e-01  7.4270000000e-01 -1.2709600000e+00  2.2475000000e-01  1.2111300000e+00 -4.4281000000e-01  4.0716000000e-01  1.4333200000e+00 -1.9291700000e+00  3.9694000000e-01 -4.6270700000e+00  2.4435000000e-01  9.1886000000e-01 -4.9976300000e+00  9.5604000000e-01  1.0116700000e+00 -4.0796600000e+00 -2.4421000000e-01  8.4604000000e-01  3.1750800000e+00 -3.1434500000e+00  1.3249700000e+00  3.6641400000e+00 -3.8125400000e+00  6.9755000000e-01  3.8097700000e+00 -2.4424900000e+00  3.0748700000e+00 -3.6647800000e+00  1.8600500000e+00  3.5611800000e+00 -3.2684900000e+00  1.1370800000e+00  2.3973900000e+00 -3.0232300000e+00  2.0737400000e+00
ENERGY -9.171806918628e+02
EMD0 -3.363385100000e+02
FORCES  -2.1851200000e-02 -9.4631000000e-03  5.5851000000e-03  1.7647700000e-02 -4.2250000000e-03  1.4138000000e-03 -3.5774000000e-03  8.1282000000e-03 -1.2240900000e-02  4.4767000000e-03 -6.8679000000e-03 -1.0436000000e-03 -9.0740000000e-03  1.5335000000e-03 -1.9004000000e-03  4.9868000000e-03  1.8196000000e-03  1.9819000000e-03  1.3360000000e-03 -7.1453000000e-03  2.2746000000e-03 -2.9401000000e-03 -2.2346000000e-03  2.8752000000e-03  1.4403000000e-03  1.1551600000e-02 -9.4735000000e-03 -3.1060000000e-04 -4.6869000000e-03 -5.0590000000e-03  2.3050000000e-03 -9.8633000000e-03  1.1677500000e-02  9.4197000000e-03  7.3593000000e-03  4.5423000000e-03 -1.3106300000e-02  1.6134300000e-02 -5.8028000000e-03 -2.4969000000e-03  3.2822000000e-03 -2.4000000000e-04  1.5073000000e-02 -1.6313400000e-02  1.8772000000e-03  1.4515100000e-02 -2.1645000000e-03 -3.7385000000e-03 -2.6038000000e-03  5.1511000000e-03  1.2908000000e-02 -1.7840000000e-04 -3.2937000000e-03 -4.7442000000e-03  8.9909000000e-03 -1.2305100000e-02 -2.9408000000e-03  3.5469000000e-03 -5.8031000000e-03 -2.7484000000e-03 -1.2456100000e-02  1.3520300000e-02  6.3000000000e-06  4.4743000000e-03  7.3910000000e-04 -2.1424000000e-03 -3.3449000000e-03  6.3374000000e-03 -8.1620000000e-04 -5.5040000000e-04 -4.7469000000e-03  4.2287000000e-03 -5.7630000000e-04  1.0340700000e-02  1.6443800000e-02  6.8201000000e-03 -8.4122000000e-03 -1.8035400000e-02 -1.2519200000e-02 -3.4668000000e-03  1.0018900000e-02 -3.0028000000e-03  2.4210000000e-04  2.5879000000e-03 -1.4578000000e-03  2.1281000000e-03 -5.1817000000e-03 -2.1243000000e-03 -4.3538000000e-03  4.6435000000e-03  2.0082000000e-03  4.2500000000e-03  6.0237000000e-03 -7.3290000000e-04  6.0741000000e-03  5.0490000000e-03  1.1265000000e-03 -6.8671000000e-03 -1.5764400000e-02 -9.6126000000e-03  1.2306500000e-02  9.6576000000e-03 -5.5397000000e-03  2.5978000000e-03  1.2435000000e-03  9.8888000000e-03 -1.2832000000e-03 -1.3166600000e-02

JOB 226
COORDS  -7.8305000000e-01  2.1801800000e+00  1.0255100000e+00 -1.6750600000e+00  1.8757900000e+00  1.1925400000e+00 -2.5047000000e-01  1.7362500000e+00  1.6854500000e+00  1.0355700000e+00  5.4554000000e-01  2.2820800000e+00  9.8549000000e-01 -3.6270000000e-02  1.5236400000e+00  1.4990700000e+00  3.5020000000e-02  2.9459800000e+00  3.8094000000e-01  4.6531800000e+00  2.0684000000e-01  1.1678200000e+00  4.6300600000e+00  7.5137000000e-01 -1.4106000000e-01  3.9093900000e+00  5.0772000000e-01  1.1020700000e+00 -1.4646500000e+00  4.6094000000e-01  1.5876900000e+00 -1.3471600000e+00 -3.5552000000e-01  2.0622000000e-01 -1.6542900000e+00  1.8217000000e-01  2.3733200000e+00 -6.6464000000e-01 -2.2439000000e+00  1.6198700000e+00 -7.9458000000e-01 -2.8198100000e+00  2.9975100000e+00 -1.6858000000e-01 -2.7735600000e+00 -2.8757500000e+00  7.4260000000e-02  1.2533200000e+00 -3.0652700000e+00 -5.1894000000e-01  1.9802500000e+00 -2.2874800000e+00 -4.2290000000e-01  6.8498000000e-01 -1.6698200000e+00 -1.7857700000e+00 -6.5101000000e-01 -1.4772200000e+00 -1.1636700000e+00 -1.3525300000e+00 -2.0094100000e+00 -2.5586600000e+00 -1.1021800000e+00 -8.0735000000e-01 -1.6339000000e-01 -3.1900300000e+00 -3.7994000000e-01  3.4567000000e-01 -2.5012500000e+00 -6.6772000000e-01  3.4719000000e-01 -3.9875500000e+00 -4.5800000000e-03  1.5956700000e+00 -1.5074700000e+00 -7.0930000000e-02  1.7720300000e+00 -5.6900000000e-01 -1.7720000000e-02  2.4612800000e+00 -1.9158400000e+00 -7.5941000000e-01 -5.5781400000e+00  2.5592500000e+00 -8.3030000000e-02 -4.9089300000e+00  2.6635900000e+00 -2.8653000000e-01 -6.3513500000e+00  2.2514100000e+00  1.0199000000e+00  4.1163000000e+00 -2.4411500000e+00  8.9221000000e-01  5.0247500000e+00 -2.7143700000e+00  8.0736000000e-01  4.1142600000e+00 -1.5078500000e+00  9.0962000000e-01 -3.5326700000e+00  2.2692200000e+00  7.5931000000e-01 -3.1817600000e+00  3.1470000000e+00  1.1497900000e+00 -2.7696100000e+00  1.7436000000e+00
ENERGY -9.171653223283e+02
EMD0 -3.150427070000e+02
FORCES  -1.7323000000e-03 -8.2105000000e-03  2.0884000000e-03  1.1107600000e-02  4.2546000000e-03  3.2546000000e-03 -1.1635700000e-02  4.2636000000e-03 -1.0716100000e-02  2.6160000000e-03 -6.6499000000e-03 -9.1899000000e-03 -3.9405000000e-03  9.5431000000e-03  1.3025200000e-02 -1.7670000000e-04 -4.9297000000e-03 -3.6741000000e-03 -7.1010000000e-03 -2.5080000000e-04  4.5845000000e-03 -2.9535000000e-03 -3.7634000000e-03 -4.8270000000e-04  1.2362400000e-02  9.0951000000e-03 -7.1349000000e-03  2.8083000000e-03 -1.8843000000e-03 -2.6057000000e-03 -1.4017800000e-02 -4.8389000000e-03  6.7348000000e-03  1.5122600000e-02  5.9455000000e-03  1.9109000000e-03  1.9174000000e-03  5.4515000000e-03  1.0210000000e-03  7.9670000000e-03  1.2667000000e-03  7.2980000000e-04 -4.4091000000e-03 -2.8707000000e-03 -5.2804000000e-03 -4.3656000000e-03 -7.0242000000e-03 -5.6967000000e-03  3.1910000000e-03 -1.4697000000e-03 -2.8255000000e-03  1.3844000000e-03  7.3521000000e-03  8.9165000000e-03 -1.0082000000e-02 -3.8884000000e-03 -2.4912000000e-03  2.2541000000e-03 -6.2677000000e-03  1.0778800000e-02  1.9905000000e-03  4.0660000000e-03 -4.3678000000e-03 -1.8469000000e-03  1.9838100000e-02  1.1268400000e-02 -2.7135000000e-03 -1.6395000000e-02 -1.3324100000e-02  5.4344000000e-03  1.8034000000e-03  3.2880000000e-03 -4.8472000000e-03 -3.4429000000e-03  1.6246000000e-03  6.7908000000e-03  4.9926000000e-03 -1.3478200000e-02 -2.8641000000e-03 -2.0218000000e-03  1.2897300000e-02  5.0830000000e-03  1.1330200000e-02 -5.0740000000e-03 -5.8600000000e-05 -5.2167000000e-03  1.0297900000e-02  2.3068000000e-03  3.0765000000e-03  9.4050000000e-04  1.5419000000e-03  4.4246000000e-03  1.0995500000e-02  4.6360000000e-04 -4.4290000000e-04  2.9388000000e-03 -3.0366000000e-03 -9.7746000000e-03 -1.5542200000e-02 -3.1178000000e-03 -3.0919000000e-03 -1.7570400000e-02 -1.3396000000e-03 -1.0053000000e-03 -5.1289000000e-03 -4.1034000000e-03 -3.2645000000e-03  1.7286900000e-02

JOB 227
COORDS   1.0612500000e+00  2.1795200000e+00  1.2943100000e+00  1.4950000000e-01  1.8882600000e+00  1.2836800000e+00  1.5682600000e+00  1.3766700000e+00  1.4151400000e+00  2.1950200000e+00 -1.5311000000e-01  1.4022000000e+00  2.4543000000e+00 -1.3366000000e-01  4.8099000000e-01  1.8274400000e+00 -1.0276900000e+00  1.5296400000e+00 -2.2524400000e+00  3.2897200000e+00  4.5184000000e-01 -2.4441500000e+00  3.8210200000e+00  1.2246300000e+00 -2.1812800000e+00  2.3958600000e+00  7.8678000000e-01 -1.9524000000e-01 -2.5895000000e+00  1.5080200000e+00 -5.2893000000e-01 -3.4849800000e+00  1.5626900000e+00 -7.3544000000e-01 -2.1726600000e+00  8.3671000000e-01  1.1232000000e-01 -8.3743000000e-01 -3.9462100000e+00  1.0636300000e+00 -8.0858000000e-01 -4.0482000000e+00 -2.0904000000e-01 -1.1631000000e-01 -4.4874500000e+00 -1.6823400000e+00  9.1727000000e-01  1.6416800000e+00 -1.2867500000e+00  4.0900000000e-01  2.3497700000e+00 -1.5332800000e+00  3.9094000000e-01  8.5619000000e-01 -7.9910000000e-01 -5.3687000000e-01 -4.5711000000e-01 -2.2800000000e-01  1.6212000000e-01 -7.7571000000e-01 -1.2919800000e+00 -8.1472000000e-01 -1.2291900000e+00  2.7974200000e+00  1.9426000000e-01 -3.3289100000e+00  2.2461200000e+00  6.5457000000e-01 -2.6961400000e+00  3.6889200000e+00  3.1196000000e-01 -3.0008600000e+00  1.2579600000e+00  1.3574500000e+00 -1.2964800000e+00  1.3660400000e+00  1.5976500000e+00 -3.7624000000e-01  3.8672000000e-01  1.6794100000e+00 -1.5278200000e+00 -1.1799200000e+00 -5.4140500000e+00  1.3056600000e+00 -2.0591400000e+00 -5.7829600000e+00  1.3899800000e+00 -8.2111000000e-01 -5.4438100000e+00  2.1925700000e+00 -1.2483500000e+00  2.0522600000e+00 -2.0507900000e+00 -9.0906000000e-01  2.6902600000e+00 -2.6785400000e+00 -1.6864900000e+00  2.5811900000e+00 -1.3840900000e+00 -3.8540000000e-02 -3.9914000000e-01  3.4844400000e+00  8.0766000000e-01  9.5100000000e-03  3.3022900000e+00 -7.5440000000e-02 -1.1493400000e+00  2.8910800000e+00
ENERGY -9.171618324493e+02
EMD0 -3.222836960000e+02
FORCES   1.3840000000e-04 -9.1028000000e-03  1.0777500000e-02  1.3251600000e-02 -4.1974000000e-03 -8.0506000000e-03 -3.6235000000e-03  4.3389000000e-03 -1.7459600000e-02 -6.0955000000e-03  9.5859000000e-03  3.2057000000e-03 -5.0041000000e-03  2.8092000000e-03  5.2071000000e-03  4.7843000000e-03  6.7531000000e-03 -1.1417000000e-03  1.4411000000e-03 -4.2463000000e-03  1.0391000000e-02 -1.1605000000e-03 -4.1361000000e-03  2.6108000000e-03 -3.7510000000e-04  8.2655000000e-03 -1.2085800000e-02 -4.6410000000e-04 -7.3644000000e-03 -6.7378000000e-03 -1.7330000000e-04  7.4021000000e-03  1.4896000000e-03 -3.8130000000e-03 -9.0577000000e-03  8.7064000000e-03  5.1651000000e-03 -2.6681000000e-03  7.0330000000e-04 -1.0572300000e-02  2.5795000000e-03 -4.7405000000e-03  4.2066000000e-03 -3.7390000000e-04  5.5850000000e-04  1.1520000000e-03 -8.7268000000e-03  7.3925000000e-03 -4.3284000000e-03 -2.8042000000e-03 -1.9624600000e-02  2.9781000000e-03  1.2010700000e-02  1.1248100000e-02  1.0722200000e-02  5.8290000000e-03 -4.5498000000e-03 -1.3306400000e-02  1.7355000000e-03  5.5512000000e-03  4.9150000000e-04  1.4070000000e-03  4.8171000000e-03 -4.1328000000e-03  2.8147000000e-03  5.1393000000e-03  9.9812000000e-03 -5.4146000000e-03 -1.0182900000e-02 -2.9948000000e-03  2.7960000000e-03  4.3348000000e-03 -8.8176000000e-03  1.7014400000e-02  7.0439000000e-03 -4.2261000000e-03 -1.7963900000e-02 -9.3149000000e-03  1.0996300000e-02 -7.7479000000e-03  9.2317000000e-03  1.6400000000e-05 -5.7562000000e-03 -6.3675000000e-03  3.9289000000e-03  3.4380000000e-04  5.2288000000e-03 -5.4704000000e-03  5.4854000000e-03 -3.3961000000e-03 -6.4944000000e-03 -8.4400000000e-04  3.4026000000e-03  2.4183000000e-03 -9.6740000000e-04  6.6764000000e-03  8.2650000000e-03 -6.7625000000e-03 -1.1533400000e-02  1.8706000000e-03 -4.0373000000e-03  4.5129000000e-03 -2.3746000000e-03 -7.1452000000e-03 -4.7329000000e-03  1.6192000000e-03  1.8146000000e-02  1.6890000000e-03

JOB 228
COORDS   4.9104000000e-01  2.9372700000e+00 -5.4807000000e-01  5.5528000000e-01  2.2434900000e+00  1.0826000000e-01 -3.9671000000e-01  2.8563300000e+00 -8.9674000000e-01 -1.3748300000e+00 -2.1250500000e+00  3.2695100000e+00 -2.0499400000e+00 -2.6522700000e+00  3.6966900000e+00 -9.9286000000e-01 -2.7092100000e+00  2.6144500000e+00 -2.3153600000e+00  1.2552200000e+00  1.4445000000e+00 -2.5839600000e+00  1.0360700000e+00  2.3367200000e+00 -1.3739600000e+00  1.0828200000e+00  1.4281000000e+00  5.1006000000e-01 -3.3114700000e+00  1.5342600000e+00  2.7474000000e-01 -3.4296100000e+00  6.1399000000e-01  1.4671800000e+00 -3.3220700000e+00  1.5404900000e+00 -1.0477100000e+00 -5.5374000000e-01 -2.5692000000e+00 -3.2682000000e-01 -1.5249000000e-01 -3.0545300000e+00 -1.4177700000e+00  1.6261000000e-01 -2.0533200000e+00  3.5541000000e-01  7.0488000000e-01  8.6725000000e-01  4.9952000000e-01  7.6926000000e-01  1.8113500000e+00  9.1933000000e-01 -1.6020000000e-02  5.8701000000e-01  1.9718600000e+00 -1.1280700000e+00 -3.1427000000e-01  2.4250800000e+00 -6.4754000000e-01 -1.0070200000e+00  1.2144300000e+00 -1.5192800000e+00 -7.4957000000e-01  1.5475300000e+00  4.6117000000e-01 -3.3400200000e+00  1.8064900000e+00  1.1778300000e+00 -2.7607300000e+00  1.9897600000e+00  6.4987000000e-01 -4.1677000000e+00  2.9080500000e+00  2.5944500000e+00 -1.7523100000e+00  2.2114800000e+00  2.9535400000e+00 -1.2027000000e+00  3.7095000000e+00  2.7399500000e+00 -1.2495800000e+00 -4.6792000000e-01 -2.6220600000e+00 -1.0296700000e+00 -1.1111700000e+00 -3.3099400000e+00 -1.2007900000e+00 -7.4278000000e-01 -1.8928200000e+00 -1.5854500000e+00 -2.7478800000e+00  1.3792100000e+00 -1.2848000000e+00 -3.5904800000e+00  1.8330500000e+00 -1.3016100000e+00 -2.5547300000e+00  1.2661300000e+00 -3.5413000000e-01  1.9877000000e-01  4.4156000000e-01  3.6526000000e+00 -2.0531000000e-01  7.7563000000e-01  4.4534400000e+00 -1.7372000000e-01 -4.3332000000e-01  3.5427600000e+00
ENERGY -9.171902766661e+02
EMD0 -3.581451200000e+02
FORCES  -1.1363000000e-03 -1.3067500000e-02  6.0533000000e-03 -2.1240000000e-04  1.3685100000e-02 -7.4793000000e-03  1.7272000000e-03 -3.1702000000e-03  5.0467000000e-03  7.1583000000e-03 -2.5340000000e-03 -5.1983000000e-03  1.8923000000e-03 -4.0803000000e-03 -5.2784000000e-03 -1.6655400000e-02 -9.8900000000e-05  9.1355000000e-03  3.8402000000e-03 -4.2027000000e-03 -5.3255000000e-03  6.3373000000e-03  1.2762000000e-03  1.5962000000e-03 -9.5147000000e-03  5.0870000000e-03  7.1453000000e-03 -4.9040000000e-04  7.4030000000e-03 -3.3801000000e-03  5.1870000000e-03 -8.8037000000e-03  7.7221000000e-03 -1.9355000000e-03 -3.4161000000e-03 -5.2816000000e-03 -1.0659000000e-03  1.7437000000e-03 -2.7975000000e-03 -1.3076200000e-02  1.5107000000e-03  5.9551000000e-03  1.5577000000e-02 -5.3774000000e-03 -1.4182000000e-03  7.1606000000e-03 -1.0989200000e-02 -9.6848000000e-03 -2.7356000000e-03 -3.4560000000e-03 -1.4893400000e-02 -1.0124900000e-02  1.1679800000e-02  1.2325300000e-02  1.0606000000e-03 -4.0317000000e-03 -9.8460000000e-04 -4.6159000000e-03 -3.2153000000e-03  1.7808000000e-03  5.5309000000e-03  1.2995900000e-02  2.6137000000e-03  3.5780000000e-03  3.6687000000e-03  2.4172000000e-03 -5.3446000000e-03 -9.1036000000e-03 -9.4317000000e-03  4.4320000000e-04  2.8952000000e-03  2.5953000000e-03 -9.3302000000e-03  3.6661000000e-03  5.7110000000e-04  2.0070300000e-02 -3.6344000000e-03  1.3080000000e-04 -5.6793000000e-03  3.4224000000e-03  4.6194000000e-03 -1.7572000000e-03  2.1600300000e-02 -1.1826100000e-02 -1.2512000000e-03  3.4546000000e-03  5.9200000000e-04  3.2683000000e-03 -2.1989700000e-02  1.4369800000e-02 -4.3830000000e-03 -3.4790000000e-03  5.4728000000e-03  3.4380000000e-04  6.5150000000e-04  5.5367000000e-03  1.8459000000e-03  3.1207000000e-03 -1.4855100000e-02  2.2573000000e-03 -2.9104000000e-03  9.4980000000e-04 -2.8279000000e-03 -5.4941000000e-03 -4.7060000000e-04  4.8583000000e-03  1.5193300000e-02  1.6765000000e-03

JOB 229
COORDS  -2.8662000000e-01  1.7584100000e+00 -1.6026700000e+00  4.0127000000e-01  1.1909200000e+00 -1.2548200000e+00 -1.0947600000e+00  1.4197600000e+00 -1.2173800000e+00 -1.5301100000e+00 -8.5260000000e-01  3.5821700000e+00 -2.1057000000e+00 -1.5251000000e-01  3.2742700000e+00 -1.6808100000e+00 -1.5735100000e+00  2.9707700000e+00 -2.0375100000e+00  1.6616700000e+00  2.3989700000e+00 -2.0403200000e+00  2.3290600000e+00  3.0851300000e+00 -1.1118500000e+00  1.4563300000e+00  2.2676900000e+00 -1.6054900000e+00 -2.4760500000e+00  1.2128700000e+00 -1.3899000000e+00 -3.2959800000e+00  1.6572500000e+00 -1.1537600000e+00 -2.5334100000e+00  3.7092000000e-01 -8.2480000000e-02 -9.2331000000e-01 -3.4878300000e+00 -8.1900000000e-01 -3.9905000000e-01 -3.8023600000e+00  6.6589000000e-01 -3.2719000000e-01 -3.5163000000e+00  6.8892000000e-01  9.6278000000e-01  2.3462900000e+00  9.4703000000e-01  3.2023000000e-01  3.0071400000e+00  1.2743700000e+00  7.9578000000e-01  1.6076500000e+00  1.7245200000e+00  7.9550000000e-02 -7.6977000000e-01  2.0894700000e+00  1.2000000000e-04 -1.6510900000e+00  1.3318900000e+00 -7.7567000000e-01 -5.9462000000e-01  2.8193800000e+00  4.0428000000e-01 -3.3470000000e+00  2.5899400000e+00  1.3329600000e+00 -3.3808300000e+00  3.7702900000e+00  3.9584000000e-01 -3.2377400000e+00  1.7004900000e+00  3.1176100000e+00 -2.9503800000e+00  9.8196000000e-01  2.6491300000e+00 -2.5255500000e+00  2.0084900000e+00  3.7362100000e+00 -2.2880300000e+00  1.7297000000e-01 -2.3802400000e+00 -1.0716600000e+00  7.8094000000e-01 -3.0264100000e+00 -1.4309100000e+00 -2.7560000000e-01 -2.0211600000e+00 -1.8372200000e+00 -2.4799000000e+00  6.6079000000e-01 -2.2561000000e-01 -2.2271700000e+00  1.0427100000e+00  6.1493000000e-01 -3.2610000000e+00  1.4360000000e-01 -2.9050000000e-02  8.7717000000e-01 -1.9307800000e+00  3.8744900000e+00  1.0143700000e+00 -2.2170100000e+00  4.7775300000e+00 -6.8780000000e-02 -1.8023300000e+00  3.8045400000e+00
ENERGY -9.171779924640e+02
EMD0 -3.436610210000e+02
FORCES  -5.3295000000e-03 -6.2857000000e-03  7.4931000000e-03 -9.1835000000e-03  9.6879000000e-03 -1.0379000000e-02  1.4158000000e-02  2.7030000000e-04  2.6301000000e-03  7.0721000000e-03  9.7008000000e-03 -8.4612000000e-03 -6.3090000000e-04 -1.1003200000e-02  1.0072000000e-03  4.6895000000e-03 -4.5080000000e-04  1.3571900000e-02  8.3012000000e-03  1.0361000000e-03 -2.9267000000e-03  5.1997000000e-03 -3.3552000000e-03  1.5198000000e-03 -2.2296000000e-02  5.9224000000e-03 -4.5730000000e-04  6.8048000000e-03  6.8242000000e-03 -1.0985500000e-02  6.8850000000e-04  4.5029000000e-03 -2.4950000000e-04 -9.3055000000e-03 -7.8097000000e-03  9.1215000000e-03  4.4314000000e-03  2.0665000000e-03  3.7990000000e-04  4.1098000000e-03 -1.6500000000e-05 -1.3947000000e-03 -8.4340000000e-03  1.2691000000e-03 -5.7110000000e-04 -1.4993000000e-03 -3.2848000000e-03  1.6640000000e-03  5.3669000000e-03  7.8189000000e-03 -7.0513000000e-03  2.4720000000e-04 -3.0531000000e-03  8.4014000000e-03  2.2411000000e-03 -3.1038000000e-03 -8.2398000000e-03 -1.2029300000e-02 -2.5899000000e-03  1.0189400000e-02  9.2836000000e-03  8.4340000000e-03 -3.8767000000e-03  1.8740000000e-04  5.5360000000e-03 -4.6939000000e-03  6.4081000000e-03 -1.7787900000e-02  1.8192000000e-03 -2.4035000000e-03  5.4845000000e-03  1.5634000000e-03 -1.3974000000e-02  3.8718000000e-03  2.7731000000e-03  2.0633700000e-02  4.4520000000e-04 -2.2034000000e-03 -3.0485000000e-03 -2.3291000000e-03  1.6223000000e-03 -2.3833000000e-03  5.2036000000e-03 -8.2139000000e-03 -1.2410000000e-03  3.6809000000e-03 -1.9506000000e-03  2.2143000000e-03 -1.2242800000e-02  1.1336600000e-02 -6.0210000000e-04  1.8052000000e-03  2.6191000000e-03  2.5193000000e-03 -6.9673000000e-03 -7.7926000000e-03  6.4800000000e-05  2.6263000000e-03  4.7626000000e-03 -9.4242000000e-03  5.7422000000e-03 -1.9954000000e-03 -4.9151000000e-03  1.6540000000e-04 -1.4801000000e-03  2.0785000000e-03 -1.1814600000e-02  4.4820000000e-04

JOB 230
COORDS  -1.3915100000e+00  1.1678100000e+00 -4.4725000000e-01 -5.0605000000e-01  1.0467400000e+00 -1.0441000000e-01 -1.7396600000e+00  1.9115600000e+00  4.4530000000e-02 -1.8945800000e+00 -3.0820300000e+00  2.0686900000e+00 -2.7322400000e+00 -3.4615400000e+00  1.8031000000e+00 -1.5658900000e+00 -2.6503800000e+00  1.2801000000e+00 -3.5189000000e-01  3.2687800000e+00  2.9726200000e+00  8.2380000000e-02  3.4430900000e+00  3.8076400000e+00 -3.2970000000e-02  2.4047100000e+00  2.7120400000e+00 -1.4374700000e+00 -1.5733200000e+00 -3.3501000000e-01 -1.6384800000e+00 -6.4085000000e-01 -2.5548000000e-01 -5.0216000000e-01 -1.6008400000e+00 -5.3669000000e-01  2.4488200000e+00 -2.3119300000e+00 -2.8109500000e+00  2.3016100000e+00 -1.4742500000e+00 -3.2501000000e+00  2.8136200000e+00 -2.8784600000e+00 -3.4908000000e+00  5.7485000000e-01  9.2972000000e-01  2.0626700000e+00  8.4105000000e-01  2.0010000000e-01  2.6221600000e+00  1.1855100000e+00  9.0251000000e-01  1.3260600000e+00  1.2571600000e+00  2.5514000000e-01 -6.0693000000e-01  1.9451900000e+00  5.0249000000e-01 -1.2247200000e+00  1.3343400000e+00 -6.9583000000e-01 -5.2989000000e-01  1.9381600000e+00  3.6835000000e-01 -3.6438800000e+00  2.5175300000e+00  1.0778800000e+00 -3.9216300000e+00  1.1588300000e+00  8.1199000000e-01 -3.3091400000e+00 -4.3741000000e-01  1.5711200000e+00 -2.9840000000e+00 -7.5842000000e-01  1.3133200000e+00 -2.1198600000e+00 -1.1660600000e+00  1.3847900000e+00 -3.5761000000e+00  1.3121500000e+00 -2.3122700000e+00 -5.5023000000e-01  1.9607300000e+00 -2.7559200000e+00 -3.6500000000e-03  1.6903100000e+00 -2.3248800000e+00 -1.4294800000e+00 -2.1677100000e+00  3.3970000000e+00  9.6460000000e-01 -1.6556900000e+00  3.4357400000e+00  1.7724200000e+00 -3.0131100000e+00  3.7806800000e+00  1.1976800000e+00  4.1420000000e-02 -1.6659700000e+00  3.3159300000e+00 -2.8918000000e-01 -1.5972500000e+00  4.2116000000e+00 -5.0332000000e-01 -2.3403600000e+00  2.9101300000e+00
ENERGY -9.171956879955e+02
EMD0 -3.626815550000e+02
FORCES  -5.0623000000e-03  9.6366000000e-03  6.2689000000e-03 -9.6531000000e-03  3.4269000000e-03 -1.5782000000e-03  1.3082400000e-02 -1.3972500000e-02 -4.8230000000e-03  1.9575000000e-03  8.4114000000e-03 -3.6976000000e-03  5.3810000000e-04  1.5029000000e-03 -4.5415000000e-03  1.7630000000e-04 -1.2495200000e-02  1.7532600000e-02  2.0978000000e-03 -1.0501400000e-02 -9.4629000000e-03  3.8274000000e-03 -6.4664000000e-03 -8.4930000000e-04 -5.9686000000e-03  1.7089400000e-02  1.0169700000e-02 -5.2910000000e-04  1.2482300000e-02 -4.1998000000e-03  9.1923000000e-03 -1.1663200000e-02 -6.9710000000e-04 -3.4881000000e-03  8.7477000000e-03  7.3120000000e-04 -9.2179000000e-03  3.3853000000e-03  1.4439700000e-02  4.0869000000e-03 -2.0025100000e-02  2.7932000000e-03  5.9160000000e-04  7.3092000000e-03 -4.6258000000e-03 -7.4433000000e-03 -4.3343000000e-03 -3.6039000000e-03  1.1509000000e-02  1.1878400000e-02 -5.0076000000e-03 -1.1032000000e-03 -1.9606000000e-03  1.1820400000e-02 -5.5868000000e-03 -2.4951200000e-02 -1.9775000000e-03  3.0820000000e-04 -6.2407000000e-03  3.7128000000e-03  2.1333000000e-03  1.7057500000e-02 -9.2824000000e-03 -1.9143000000e-02  5.2985000000e-03 -1.3514000000e-03 -4.2648000000e-03  2.6730000000e-03  3.5841000000e-03  2.6204300000e-02 -4.4775000000e-03 -1.6110000000e-03 -6.4682000000e-03  2.1071000000e-03  1.5677000000e-02  6.4505000000e-03 -2.3231000000e-03 -2.0216200000e-02 -1.3846000000e-03 -1.3188000000e-03  4.2144000000e-03  1.7486000000e-03  2.3044000000e-03 -1.9113000000e-02  4.3227000000e-03  8.8440000000e-04 -6.6694000000e-03 -3.4478000000e-03  1.2356800000e-02  1.9288800000e-02  9.9873000000e-03 -6.8540000000e-04  4.5778000000e-03 -1.3345000000e-02 -2.2012000000e-03 -1.0656500000e-02  3.2187000000e-03  1.3935000000e-03  5.7475000000e-03 -1.3358300000e-02 -7.2357000000e-03 -9.6313000000e-03  1.7100000000e-04 -1.1734000000e-03 -1.0341000000e-03  7.8602000000e-03  4.0802000000e-03  4.0714000000e-03

JOB 231
COORDS  -1.3396200000e+00  4.2257000000e-01 -2.2622000000e-01 -5.1597000000e-01  3.6862000000e-01  2.5847000000e-01 -1.6155700000e+00  1.3340400000e+00 -1.2979000000e-01 -2.1313000000e+00 -2.3300300000e+00  2.6661400000e+00 -2.9931300000e+00 -2.5688100000e+00  3.0073900000e+00 -2.2434600000e+00 -2.3216500000e+00  1.7155700000e+00 -5.2975000000e-01  2.7023500000e+00  2.8053800000e+00 -5.5070000000e-02  2.0695300000e+00  2.2664500000e+00 -1.3404700000e+00  2.2533200000e+00  3.0448300000e+00 -2.3070200000e+00 -2.1686400000e+00 -5.6170000000e-02 -2.1118700000e+00 -1.2713200000e+00 -3.2631000000e-01 -1.5118200000e+00 -2.6597700000e+00 -2.6274000000e-01  2.5870000000e+00 -1.1058000000e+00 -1.8004400000e+00  2.3438400000e+00 -7.8890000000e-01 -2.6703100000e+00  1.9562900000e+00 -1.8010900000e+00 -1.6133500000e+00  8.0433000000e-01  7.3226000000e-01  1.4120100000e+00  8.2012000000e-01 -1.6265000000e-01  1.7513200000e+00  1.6858600000e+00  8.7363000000e-01  1.0668200000e+00  2.7957600000e+00  1.1290300000e+00 -1.9447000000e-01  3.4734400000e+00  1.7552000000e+00 -4.4924000000e-01  2.6434900000e+00  6.0658000000e-01 -9.8193000000e-01  9.8543000000e-01 -3.3777000000e-01 -3.8958900000e+00  7.6843000000e-01 -5.4019000000e-01 -4.8059300000e+00  5.1792000000e-01  4.7729000000e-01 -3.7132700000e+00  8.3780000000e-02  2.0243900000e+00 -2.4631100000e+00  5.3203000000e-01  2.7888100000e+00 -2.1012200000e+00 -5.0856000000e-01  1.7414200000e+00 -1.7664800000e+00  2.2937000000e-01 -2.4899400000e+00 -8.4606000000e-01  6.6404000000e-01 -2.2875700000e+00 -1.7600000000e-02  1.9157000000e-01 -1.6524700000e+00 -1.3080800000e+00 -1.9376100000e+00  3.1024500000e+00  4.9007000000e-01 -1.4420700000e+00  3.6002700000e+00  1.1403400000e+00 -2.3660500000e+00  3.7689800000e+00 -4.6970000000e-02  7.5618000000e-01 -1.7567800000e+00  2.1677600000e+00  1.3006200000e+00 -2.4457700000e+00  2.5487000000e+00 -1.2547000000e-01 -1.9408500000e+00  2.4918600000e+00
ENERGY -9.171874085346e+02
EMD0 -3.446622760000e+02
FORCES   3.8002000000e-03  5.8590000000e-03  2.0176700000e-02 -1.2624300000e-02 -4.3038000000e-03 -1.0335000000e-02  1.0303800000e-02 -8.2051000000e-03 -1.0170500000e-02 -5.3910000000e-03  2.1695000000e-03 -1.3149300000e-02 -2.2518000000e-03 -3.7320000000e-04 -6.5266000000e-03  3.4670000000e-03 -5.2588000000e-03  2.2923700000e-02  1.0178100000e-02 -1.1980000000e-02 -2.9063000000e-03 -1.3690100000e-02  1.1029800000e-02  4.9488000000e-03  2.2935000000e-03 -1.1550000000e-04 -3.4105000000e-03  1.0021100000e-02  1.0764200000e-02 -9.6432000000e-03  1.6390000000e-03 -1.4373600000e-02 -1.9707000000e-03 -4.5172000000e-03  4.5722000000e-03  8.2862000000e-03 -5.4566000000e-03 -6.7447000000e-03 -3.8173000000e-03  4.4975000000e-03 -3.1790000000e-04  1.2291500000e-02 -3.7621000000e-03  7.3991000000e-03 -6.6600000000e-04  1.2492500000e-02 -4.7756000000e-03 -2.4530000000e-04 -8.3090000000e-04  8.3164000000e-03 -1.2298100000e-02 -9.4059000000e-03 -9.7817000000e-03  1.1401600000e-02 -9.5072000000e-03 -1.5702800000e-02  3.9641000000e-03 -2.0721000000e-03 -3.0627000000e-03 -7.2180000000e-03  4.3634000000e-03  2.0081000000e-02  1.5980000000e-03  1.8143000000e-03  2.2458000000e-03  6.9946000000e-03 -3.4540000000e-03  6.5389000000e-03  1.6305000000e-03  6.2320000000e-04 -1.2150800000e-02 -1.2412500000e-02 -4.4890000000e-04 -2.8622000000e-03  3.1888000000e-03 -4.5470000000e-03 -9.2850000000e-04  2.7301000000e-03  4.2211000000e-03  1.0502400000e-02 -3.3169000000e-03 -9.4793000000e-03  3.1830000000e-04  3.4015000000e-03 -1.0325000000e-03  7.7120000000e-04 -1.3322300000e-02  9.6120000000e-03 -5.1645000000e-03  5.6904000000e-03  4.4648000000e-03 -7.4095000000e-03  1.3122200000e-02 -9.8295000000e-03  7.8176000000e-03 -1.4301100000e-02  5.5214000000e-03  2.4974000000e-03  5.0122000000e-03 -2.7144000000e-03  1.4795900000e-02  3.6564000000e-03 -6.4336000000e-03 -2.3745000000e-03 -4.6300000000e-04  1.8135500000e-02  2.0690000000e-04 -4.8444000000e-03

JOB 232
COORDS  -1.9289100000e+00  1.6859000000e-01 -1.2056000000e-01 -1.1067700000e+00 -7.9480000000e-02  3.0226000000e-01 -2.2599300000e+00  8.9584000000e-01  4.0648000000e-01 -2.0023300000e+00 -2.0753000000e+00  2.3610500000e+00 -2.8450400000e+00 -1.6275200000e+00  2.4355400000e+00 -1.9652100000e+00 -2.3669300000e+00  1.4501100000e+00 -3.2762000000e-01  2.9121000000e+00  2.0304000000e+00  7.6320000000e-02  2.8088100000e+00  2.8920300000e+00  8.9970000000e-02  2.2431600000e+00  1.4878400000e+00 -2.0216800000e+00 -2.6181300000e+00 -2.5797000000e-01 -2.2228200000e+00 -1.6904400000e+00 -3.8109000000e-01 -1.1854600000e+00 -2.7439700000e+00 -7.0645000000e-01  2.6699100000e+00 -1.0007900000e+00 -2.6137000000e+00  2.4555500000e+00 -5.6958000000e-01 -3.4409500000e+00  2.5345600000e+00 -1.9324700000e+00 -2.7865800000e+00  8.7421000000e-01  4.9064000000e-01  1.0229500000e+00  5.4909000000e-01  1.7845000000e-01  1.8673800000e+00  1.7904000000e+00  2.1430000000e-01  1.0015000000e+00  3.5438200000e+00  5.3700000000e-03  1.3373000000e-01  4.4491700000e+00 -9.8500000000e-02 -1.5916000000e-01  3.0237400000e+00 -5.7120000000e-02 -6.6743000000e-01  1.3435000000e+00  8.7193000000e-01 -4.4115600000e+00  1.7393400000e+00  1.6837800000e+00 -4.7284900000e+00  7.7362000000e-01  1.1471900000e+00 -3.6934400000e+00 -1.8235000000e-01  1.3455700000e+00 -2.1328000000e+00 -5.7421000000e-01  2.1298200000e+00 -1.7485800000e+00 -8.8887000000e-01  6.9977000000e-01 -2.1330700000e+00  8.9480000000e-01 -2.7309500000e+00 -1.1486000000e+00  1.3284600000e+00 -1.8918900000e+00 -1.3039800000e+00  9.8011000000e-01 -2.8742800000e+00 -2.0605000000e-01 -2.9117600000e+00  3.1074200000e+00  1.6381800000e+00 -1.9928900000e+00  2.9670300000e+00  1.8666600000e+00 -3.0501200000e+00  4.0459200000e+00  1.7659000000e+00 -3.7210000000e-02 -5.3573000000e-01  3.4503100000e+00  4.3734000000e-01 -1.0506500000e+00  4.1029000000e+00 -7.6382000000e-01 -1.0984400000e+00  3.1826700000e+00
ENERGY -9.171749299284e+02
EMD0 -3.287577010000e+02
FORCES   1.7779000000e-03  3.5497000000e-03  2.9320000000e-04 -1.3718400000e-02 -2.8713000000e-03  6.1970000000e-04  9.1526000000e-03 -5.5146000000e-03  3.0680000000e-04  2.9337000000e-03 -1.1716700000e-02 -1.9785200000e-02  2.9103000000e-03 -4.1000000000e-06 -3.8077000000e-03 -5.1950000000e-03  1.3224800000e-02  1.6859100000e-02 -3.5522000000e-03 -2.1155000000e-03 -6.2785000000e-03  1.0215000000e-03 -1.4895000000e-03 -3.3116000000e-03 -9.1241000000e-03  7.7746000000e-03  1.0834500000e-02 -7.9520000000e-04  2.4346000000e-03 -4.4306000000e-03  9.0977000000e-03 -1.0954400000e-02  6.2501000000e-03 -8.0571000000e-03  5.8384000000e-03  7.0055000000e-03 -1.0447000000e-03  8.2733000000e-03 -7.3420000000e-03  7.2248000000e-03 -1.6913000000e-02  6.0941000000e-03 -5.1146000000e-03  6.0747000000e-03 -2.2230000000e-04  1.0805200000e-02 -3.4547000000e-03  4.3582000000e-03  2.7493000000e-03  8.3514000000e-03 -1.7563300000e-02 -1.1213100000e-02 -3.7977000000e-03  3.7114000000e-03  3.0844000000e-03  9.8710000000e-04 -1.1713000000e-03 -2.0381000000e-03  3.5690000000e-04 -3.8313000000e-03  2.5201000000e-03  1.1746000000e-03  1.1757000000e-02 -1.0258800000e-02  1.7837000000e-03  6.9700000000e-03 -3.2163000000e-03  1.1970000000e-03  4.4833000000e-03  9.7044000000e-03  4.0200000000e-04 -1.4363200000e-02 -1.6120000000e-04 -2.7519000000e-03  8.8883000000e-03 -2.2770000000e-03 -1.8895000000e-03 -2.5718000000e-03  2.2035000000e-03  4.5350000000e-03 -5.5865000000e-03  6.8451000000e-03  1.5939000000e-03 -5.8004000000e-03 -8.8200000000e-05 -1.0300400000e-02  4.7492000000e-03 -2.6538000000e-03  4.9811000000e-03 -3.7673000000e-03  1.5244800000e-02  5.2660000000e-04  3.7542000000e-03 -1.3301500000e-02  1.2339000000e-03 -3.5936000000e-03  4.4110000000e-03 -6.0940000000e-04  2.2581000000e-03 -1.0809700000e-02 -6.1365000000e-03 -5.2613000000e-03 -5.0470000000e-03 -3.5852000000e-03 -1.0910000000e-03  1.5979500000e-02  9.8109000000e-03  1.0586200000e-02

JOB 233
COORDS  -1.9274800000e+00  2.6530000000e-01  3.2413000000e-01 -1.1779300000e+00  4.2768000000e-01  8.9687000000e-01 -2.6308200000e+00  8.0043000000e-01  6.9179000000e-01 -2.1308000000e+00 -2.8924100000e+00  2.5742200000e+00 -2.8766100000e+00 -2.4208000000e+00  2.9451500000e+00 -2.2956900000e+00 -2.8986600000e+00  1.6313500000e+00  1.7030000000e-01  3.4449400000e+00  2.7074400000e+00  3.9866000000e-01  2.5733100000e+00  2.3844200000e+00  8.6492000000e-01  3.6597400000e+00  3.3300200000e+00 -1.9638300000e+00 -2.3698000000e+00 -1.8294000000e-01 -2.0189200000e+00 -1.4950000000e+00  2.0168000000e-01 -1.0379900000e+00 -2.4785300000e+00 -4.0026000000e-01  3.1104800000e+00 -1.4080600000e+00 -2.2667600000e+00  2.4570700000e+00 -9.0583000000e-01 -2.7536300000e+00  3.8825800000e+00 -1.4093900000e+00 -2.8325200000e+00  6.7297000000e-01  7.6737000000e-01  1.6823900000e+00  7.8147000000e-01 -1.6221000000e-01  1.8832100000e+00  1.0741900000e+00  8.7502000000e-01  8.2003000000e-01  1.7806800000e+00  1.1265400000e+00 -7.9359000000e-01  8.6996000000e-01  1.3124000000e+00 -1.0222100000e+00  2.0354100000e+00  4.1549000000e-01 -1.3816100000e+00  1.1437500000e+00 -6.0240000000e-02 -3.6877100000e+00  5.7521000000e-01 -7.6141000000e-01 -4.0060800000e+00  5.6495000000e-01  5.0378000000e-01 -3.1747800000e+00 -5.4874000000e-01  1.2828000000e+00 -1.7784200000e+00 -1.0471900000e+00  7.3753000000e-01 -1.1697700000e+00 -8.9738000000e-01  2.1650900000e+00 -1.6509400000e+00  8.5503000000e-01 -1.6767300000e+00 -6.0782000000e-01  1.6429200000e+00 -1.8688300000e+00 -1.1162900000e+00  1.1192300000e+00 -1.8076900000e+00  3.0283000000e-01 -1.7058500000e+00  3.5831300000e+00 -2.0771000000e-01 -1.6671100000e+00  4.5366900000e+00 -1.3384000000e-01 -1.4233500000e+00  3.2643400000e+00  6.4949000000e-01  5.6663000000e-01 -2.0809300000e+00  2.1664900000e+00  8.1938000000e-01 -2.8240000000e+00  2.7143900000e+00 -3.6670000000e-01 -1.9603200000e+00  2.3413400000e+00
ENERGY -9.171865111607e+02
EMD0 -3.506431510000e+02
FORCES   5.6078000000e-03 -3.7964000000e-03 -5.9576000000e-03 -1.8365200000e-02 -2.5132000000e-03 -1.0296600000e-02  6.6951000000e-03 -1.2945000000e-03  4.7608000000e-03 -1.1289000000e-03 -9.8262000000e-03 -1.0799200000e-02  9.6550000000e-04  1.3009000000e-03 -6.7114000000e-03 -3.0733000000e-03  8.1643000000e-03  2.0112100000e-02  2.1797000000e-03 -3.7167000000e-03  3.7410000000e-04 -1.5668000000e-03  1.3413000000e-02  2.8555000000e-03  8.0600000000e-04 -4.5439000000e-03 -1.1190000000e-03  6.9778000000e-03  1.3240900000e-02 -1.0143300000e-02  2.8650000000e-03 -1.1731800000e-02  8.9466000000e-03 -9.8445000000e-03  1.0796000000e-03  6.4209000000e-03 -4.7429000000e-03  3.2777000000e-03 -3.3626000000e-03  1.1530900000e-02 -8.3433000000e-03  1.3612100000e-02 -4.0327000000e-03  3.4621000000e-03 -4.2226000000e-03  2.3706300000e-02 -3.7696000000e-03 -5.0723000000e-03 -6.5660000000e-03  7.9974000000e-03 -1.1009500000e-02 -2.0343400000e-02 -3.1222000000e-03  1.5546600000e-02 -1.8321600000e-02 -3.1755000000e-03 -1.3690600000e-02  6.7678000000e-03 -5.3095000000e-03  1.3688300000e-02 -5.4926000000e-03  1.7288000000e-03 -6.7082000000e-03 -4.5127000000e-03  8.3139000000e-03  1.8219000000e-03  3.2150000000e-04  2.4323000000e-03  3.0587000000e-03  7.3479000000e-03 -1.0247800000e-02 -7.5910000000e-03  1.4446000000e-03 -4.3539000000e-03  1.0447000000e-02  1.2481000000e-02  1.0025200000e-02 -2.2087000000e-03  4.9958000000e-03 -1.0134400000e-02  8.3300000000e-04  7.2250000000e-03  2.9828000000e-03  9.6800000000e-05 -6.4568000000e-03  2.9608000000e-03  7.4794000000e-03  3.2588000000e-03  2.2135000000e-03 -9.9478000000e-03  1.0540000000e-04  4.2972000000e-03  1.4124000000e-03 -1.2870000000e-04 -2.5798000000e-03  3.0462000000e-03 -4.0528000000e-03  3.3380000000e-04 -4.9557000000e-03 -7.8831000000e-03 -7.6066000000e-03  5.2760000000e-04 -3.2316000000e-03  6.2720000000e-04  4.3500000000e-04  1.4461700000e-02  8.2138000000e-03 -1.6789000000e-03

JOB 234
COORDS  -2.8865300000e+00 -6.6310000000e-02 -1.7168000000e+00 -2.2833700000e+00 -3.3082000000e-01 -1.0222100000e+00 -3.7491100000e+00 -7.5340000000e-02 -1.3019300000e+00 -1.3938800000e+00 -3.3980600000e+00  2.9890000000e+00 -1.9645100000e+00 -4.1075000000e+00  3.2844600000e+00 -1.2466000000e+00 -3.5793100000e+00  2.0607200000e+00 -7.8960000000e-02  3.0568800000e+00  2.4925600000e+00  4.8115000000e-01  2.2849700000e+00  2.5741300000e+00  1.6892000000e-01  3.6124300000e+00  3.2315800000e+00 -1.4167900000e+00 -4.2093600000e+00  4.6344000000e-01 -6.9598000000e-01 -4.7464900000e+00  1.3457000000e-01 -1.4248400000e+00 -3.4421100000e+00 -1.0883000000e-01  1.5687600000e+00 -9.4268000000e-01 -1.7702800000e+00  1.6970500000e+00 -3.2702000000e-01 -2.4919100000e+00  2.4355000000e+00 -1.0319300000e+00 -1.3740100000e+00  1.5456100000e+00  9.6207000000e-01  2.3605600000e+00  1.0340000000e+00  1.5309000000e-01  2.3555700000e+00  1.8835900000e+00  1.0377800000e+00  1.4682200000e+00  2.0954800000e+00  1.5703300000e+00 -2.2569000000e-01  1.4619000000e+00  2.2878300000e+00 -2.2419000000e-01  1.7120800000e+00  9.1284000000e-01 -8.0616000000e-01  1.3997800000e+00  1.0800500000e+00 -3.6227900000e+00  1.6658600000e+00  1.6911000000e+00 -4.3098500000e+00  5.3265000000e-01  1.3836800000e+00 -3.3542200000e+00 -1.0166600000e+00  1.8420100000e+00 -2.5595100000e+00 -1.7038100000e+00  1.2134900000e+00 -2.3380800000e+00 -7.8536000000e-01  2.2488000000e+00 -1.7244900000e+00 -7.6450000000e-01 -1.2821000000e+00 -4.3167000000e-01  4.9300000000e-03 -1.2004200000e+00 -9.9517000000e-01 -4.0897000000e-01 -1.5005600000e+00  4.2978000000e-01  5.9510000000e-02  3.3337000000e+00 -5.3010000000e-02  7.4390000000e-01  3.9414100000e+00 -3.3325000000e-01  5.5750000000e-02  3.4002400000e+00  9.0186000000e-01  8.0487000000e-01 -1.8918500000e+00  2.0244800000e+00  1.5606000000e+00 -2.4712100000e+00  2.1216500000e+00  1.6083000000e-01 -2.2311900000e+00  2.6460100000e+00
ENERGY -9.171934179357e+02
EMD0 -3.598415060000e+02
FORCES   6.1940000000e-03 -5.0711000000e-03 -9.3020000000e-04 -1.4201000000e-02  1.1819500000e-02 -4.9544000000e-03  4.1230000000e-03 -3.7487000000e-03  4.9541000000e-03 -5.0371000000e-03 -5.2392000000e-03 -1.2134600000e-02  3.1320000000e-04 -2.1340000000e-03 -4.8706000000e-03  5.0669000000e-03  7.0875000000e-03  1.3705700000e-02  6.5834000000e-03 -1.8885800000e-02 -9.1272000000e-03 -1.2530100000e-02  2.3134900000e-02  1.5841000000e-03  4.0474000000e-03 -4.8663000000e-03  1.1320000000e-04 -6.0016000000e-03  2.7701000000e-03  3.5463000000e-03 -5.1970000000e-04  4.6644000000e-03 -6.3400000000e-04  4.4892000000e-03 -1.1296600000e-02  6.5750000000e-03 -7.3811000000e-03  1.7290000000e-03 -1.0112800000e-02  4.5245000000e-03 -9.2767000000e-03  2.0156200000e-02 -1.0575000000e-03  5.7868000000e-03 -3.8142000000e-03  7.1929000000e-03  2.3920000000e-04 -1.4630000000e-02 -4.8690000000e-04  9.7985000000e-03 -3.2420000000e-03 -8.7198000000e-03 -5.9587000000e-03  1.5920300000e-02 -1.2859700000e-02  9.6203000000e-03 -1.8145000000e-03  9.6779000000e-03 -3.0118000000e-03 -1.5750000000e-03  1.4468000000e-03  4.8794000000e-03  3.9812000000e-03 -1.1270400000e-02  3.5100000000e-04  4.3217000000e-03 -7.1250000000e-03  3.8830000000e-03  1.0769000000e-03  2.2555500000e-02 -9.4790000000e-04 -9.0568000000e-03 -1.3010100000e-02 -4.0828000000e-03  6.7420000000e-04  1.3217300000e-02  9.2591000000e-03  4.9567000000e-03 -1.6488000000e-03 -9.7438000000e-03 -7.2344000000e-03  1.5515200000e-02  8.2167000000e-03 -6.8787000000e-03 -1.0288700000e-02 -2.7949000000e-03  1.0692600000e-02 -5.0125000000e-03 -3.4446000000e-03 -8.9592000000e-03 -1.1302100000e-02 -2.8814000000e-03  2.9643400000e-02  4.6873000000e-03 -1.0517200000e-02  7.0778000000e-03  1.2705000000e-02  2.4399000000e-03 -2.4918900000e-02  5.1000000000e-05 -1.9847000000e-03  3.3016000000e-03 -4.3079000000e-03 -2.5055000000e-03  2.8950000000e-03  1.0369800000e-02  2.7121000000e-03 -1.0288500000e-02

JOB 235
COORDS  -2.9619600000e+00 -5.0443000000e-01 -8.6229000000e-01 -2.7644100000e+00 -1.2506400000e+00 -2.9627000000e-01 -3.2668900000e+00 -8.9759000000e-01 -1.6800200000e+00 -2.2663200000e+00 -2.3608100000e+00  1.1467200000e+00 -2.9082000000e+00 -2.7736900000e+00  1.7244300000e+00 -1.6521800000e+00 -3.0623400000e+00  9.3008000000e-01  2.4577800000e+00  2.1450700000e+00  1.9168600000e+00  1.6963400000e+00  2.0321900000e+00  2.4858100000e+00  3.1856100000e+00  2.3021800000e+00  2.5183600000e+00  2.1032000000e-01 -3.4949600000e+00  4.8643000000e-01  9.7429000000e-01 -3.9209100000e+00  8.7520000000e-01  5.7274000000e-01 -2.7686500000e+00 -2.0860000000e-02  7.7993000000e-01 -1.9934500000e+00 -3.6736900000e+00  1.0172500000e+00 -1.1028100000e+00 -3.9319100000e+00  3.9536000000e-01 -2.3773700000e+00 -4.4617000000e+00  4.1739000000e-01  1.8365000000e+00  3.7168300000e+00  1.7808000000e-01  1.8069300000e+00  4.6431600000e+00 -2.2344000000e-01  1.2714400000e+00  3.2852500000e+00  2.0379600000e+00  1.0026800000e+00 -5.3596000000e-01  2.3536700000e+00  1.2367600000e+00  3.3684000000e-01  1.0918100000e+00  1.1415000000e+00 -4.9414000000e-01  9.4421000000e-01  7.1096000000e-01 -3.2931800000e+00  1.5787600000e+00  7.4883000000e-01 -2.5775500000e+00  1.1272000000e-01  9.6073000000e-01 -2.8901100000e+00 -9.0328000000e-01  1.0952300000e+00 -6.2546000000e-01 -1.6549900000e+00  5.5664000000e-01 -8.7261000000e-01 -1.2671100000e+00  1.7625400000e+00 -4.3610000000e-02  1.6158800000e+00 -1.7241300000e+00 -1.2203000000e+00  1.3528800000e+00 -1.7220900000e+00 -2.1406600000e+00  2.1743900000e+00 -9.5219000000e-01 -1.1286000000e+00 -1.2662600000e+00  3.0839000000e+00  9.9707000000e-01 -9.2056000000e-01  3.9431700000e+00  7.5547000000e-01 -7.0887000000e-01  2.7955200000e+00  1.7198300000e+00 -1.0191600000e+00  2.2577000000e-01  1.8598200000e+00 -5.2217000000e-01  4.5744000000e-01  1.0752500000e+00 -1.5194000000e+00 -5.5005000000e-01  1.6066500000e+00
ENERGY -9.171848515543e+02
EMD0 -3.441151100000e+02
FORCES   7.6358000000e-03  2.3961000000e-03  1.1225500000e-02 -3.5823000000e-03  7.7749000000e-03 -1.4698800000e-02  1.6305000000e-03 -3.8474000000e-03  4.0552000000e-03  1.2978100000e-02 -2.2604000000e-03 -8.9960000000e-04  4.6440000000e-03 -4.7346000000e-03 -1.7561000000e-03 -2.2291400000e-02  2.6280000000e-03  4.7324000000e-03 -7.0834000000e-03 -1.4718000000e-03  3.3668000000e-03  7.2243000000e-03  1.3962000000e-03 -1.0002200000e-02 -3.5152000000e-03  1.5340000000e-04  3.1539000000e-03  6.9965000000e-03  7.4254000000e-03 -8.2216000000e-03  2.3291000000e-03  2.6954000000e-03 -1.3392000000e-03 -7.3300000000e-03 -1.2589200000e-02  1.3881200000e-02  3.6131000000e-03  5.0208000000e-03  1.8259400000e-02  1.8505000000e-03 -1.7620000000e-02 -1.9841000000e-03  6.8880000000e-04  8.7929000000e-03 -3.1988000000e-03  3.9725000000e-03 -4.7965000000e-03 -3.2757000000e-03 -5.2708000000e-03 -4.6533000000e-03 -2.5104000000e-03  8.3933000000e-03  1.6235100000e-02  1.1240900000e-02 -2.4450000000e-04  5.8401000000e-03  1.1492900000e-02 -1.0282500000e-02 -6.9038000000e-03 -8.4652000000e-03  1.2519900000e-02  2.2630000000e-03  3.9191000000e-03 -1.6945000000e-03  2.3502000000e-03  6.4748000000e-03 -7.0833000000e-03 -6.0454000000e-03 -5.4231000000e-03  4.4623000000e-03 -1.5060000000e-04 -3.2554000000e-03 -2.0681300000e-02 -2.6941000000e-03  1.0843500000e-02  7.3977000000e-03  1.4298100000e-02  4.9196000000e-03  2.5226000000e-03 -1.8279200000e-02  1.5089000000e-03 -5.0225000000e-03  1.9184000000e-03 -8.9981000000e-03  8.2990000000e-03  1.5091400000e-02  2.1417000000e-03  2.9840000000e-04 -7.9943000000e-03 -1.4162300000e-02 -2.9264000000e-03 -8.7080000000e-03 -7.1274000000e-03  1.7571000000e-03 -2.4629000000e-03  5.2451000000e-03  2.0694000000e-03  2.1366000000e-03 -8.1921000000e-03 -5.6896000000e-03 -6.6700000000e-03 -1.8189100000e-02 -2.0016000000e-03  3.6782000000e-03  1.0007800000e-02  3.4164000000e-03  9.7871000000e-03 -4.7695000000e-03

JOB 236
COORDS  -1.1007400000e+00 -3.0932000000e-01 -1.7440000000e-01 -6.8809000000e-01 -9.2613000000e-01 -7.7897000000e-01 -2.0318700000e+00 -3.4523000000e-01 -3.9335000000e-01 -3.6715000000e-01 -1.6157200000e+00  2.0796900000e+00 -5.0167000000e-01 -1.0534100000e+00  1.3168400000e+00 -1.1520000000e-01 -2.4628100000e+00  1.7119900000e+00  9.5079000000e-01  1.3604600000e+00  2.1680200000e+00  2.1396000000e-01  1.5543300000e+00  2.7474300000e+00  5.9368000000e-01  7.5217000000e-01  1.5209600000e+00  2.9857000000e-01 -3.8032500000e+00  3.9078000000e-01  1.0701100000e+00 -3.2677000000e+00  2.0599000000e-01  1.9228000000e-01 -4.3481100000e+00 -3.8901000000e-01  4.0219000000e-01 -2.1538400000e+00 -3.8636400000e+00  4.0016000000e-01 -1.2072200000e+00 -4.0055300000e+00 -4.7798000000e-01 -2.4357400000e+00 -4.1127900000e+00 -1.0482800000e+00  1.4257500000e+00  3.8269900000e+00 -1.7534200000e+00  7.8080000000e-01  3.7717400000e+00 -1.1149400000e+00  1.7788000000e+00  4.7142000000e+00  2.1195800000e+00  1.0630400000e+00 -1.4851100000e+00  2.7581300000e+00  1.6438300000e+00 -1.0713800000e+00  1.3760100000e+00  1.6302800000e+00 -1.6890100000e+00 -3.7694000000e-01  5.6934000000e-01 -4.3617200000e+00 -7.3888000000e-01  8.6913000000e-01 -5.1956100000e+00 -3.6817000000e-01  1.3508500000e+00 -3.8091000000e+00 -1.7033000000e-01  2.1697500000e+00 -1.5274400000e+00 -3.1670000000e-01  1.4280800000e+00 -9.4030000000e-01  1.7222000000e-01  2.8607200000e+00 -9.6047000000e-01  1.1675000000e+00 -1.4953900000e+00 -1.3852300000e+00  1.1255400000e+00 -1.9122400000e+00 -2.2458800000e+00  1.7454400000e+00 -7.4279000000e-01 -1.5110100000e+00  5.6314000000e-01  3.8383200000e+00  4.7611000000e-01  8.2379000000e-01  3.2123200000e+00  1.1517000000e+00  1.6772000000e-01  4.5631900000e+00  9.6031000000e-01 -2.3492300000e+00 -1.0909200000e+00  3.9280300000e+00 -2.2927300000e+00 -1.7899800000e+00  4.5794500000e+00 -1.6402100000e+00 -1.2782500000e+00  3.3128600000e+00
ENERGY -9.171752230067e+02
EMD0 -3.302691780000e+02
FORCES   6.2136000000e-03 -7.6340000000e-03  4.7930000000e-03 -2.0985400000e-02  6.5349000000e-03  7.4018000000e-03  4.7575000000e-03 -4.4033000000e-03 -6.0971000000e-03 -2.6237000000e-03 -5.4740000000e-04 -1.1842100000e-02  6.8123000000e-03 -4.2000000000e-03  6.0038000000e-03  4.3947000000e-03  9.0534000000e-03 -1.3279000000e-03 -1.0589300000e-02 -1.4294500000e-02  2.1102200000e-02  6.3879000000e-03  4.7114000000e-03 -1.3903900000e-02 -4.3928000000e-03  4.4059000000e-03  1.0595000000e-03 -2.9737000000e-03  2.1513000000e-03 -1.1674000000e-03 -4.9720000000e-03 -7.3345000000e-03  4.8921000000e-03  4.5698000000e-03  1.5034000000e-03 -3.9370000000e-04  1.7000000000e-06  6.6575000000e-03  3.5111000000e-03  1.7814000000e-03 -1.3508500000e-02  5.3967000000e-03  2.2120000000e-04  3.5023000000e-03 -1.2163000000e-03  8.5367000000e-03 -1.3008200000e-02 -8.0613000000e-03  4.3257000000e-03  1.3433400000e-02  3.2070000000e-04 -4.3899000000e-03 -2.0433000000e-03 -5.3790000000e-04 -2.4832000000e-02  4.6029000000e-03 -2.5752000000e-03 -6.2428000000e-03  5.5616000000e-03 -2.6935000000e-03  1.4345500000e-02 -5.6000000000e-04  1.0086300000e-02  2.2402000000e-03 -8.1610000000e-04  3.9203000000e-03 -3.6010000000e-04  4.1611000000e-03  4.1776000000e-03 -3.2001000000e-03 -1.5584000000e-03 -1.2854600000e-02  1.7404000000e-03  2.7093000000e-03  1.3620000000e-02  1.2748300000e-02  1.0377300000e-02 -4.0147000000e-03  7.2093000000e-03 -1.8955000000e-02 -9.2107000000e-03  3.1072000000e-03  7.7548000000e-03 -9.1620000000e-03  7.5656000000e-03  1.0574700000e-02  6.6383000000e-03 -4.9000000000e-03 -1.5992800000e-02 -8.6096000000e-03 -9.4750000000e-04 -7.2004000000e-03 -1.7280000000e-03 -6.7556000000e-03  1.7794400000e-02 -7.2535000000e-03  2.8600000000e-03 -3.7416000000e-03  5.7602000000e-03  9.1506000000e-03 -4.2412000000e-03 -8.4107000000e-03  3.0407000000e-03 -2.1728000000e-03 -3.4021000000e-03 -1.3845200000e-02  6.7224000000e-03  1.5778900000e-02

JOB 237
COORDS  -5.1953000000e-01 -6.3327000000e-01 -9.7942000000e-01 -3.5878000000e-01 -1.5000900000e+00 -1.3522500000e+00 -8.2235000000e-01 -1.0634000000e-01 -1.7189300000e+00 -1.1478000000e-01 -4.7500000000e-01  1.8152700000e+00 -2.9368000000e-01 -6.0888000000e-01  8.8452000000e-01  7.5945000000e-01 -8.4195000000e-01  1.9468300000e+00 -1.8659000000e+00  3.1492000000e+00  2.1714700000e+00 -1.6668700000e+00  2.5585500000e+00  2.8979400000e+00 -2.7393700000e+00  3.4870800000e+00  2.3692800000e+00  2.2782800000e+00 -1.4914100000e+00  1.8605800000e+00  2.5789900000e+00 -9.7086000000e-01  1.1157000000e+00  3.0099600000e+00 -2.0771300000e+00  2.0550300000e+00 -7.1070000000e-01 -6.5141000000e-01 -5.0284800000e+00 -1.6487800000e+00 -5.0636000000e-01 -4.9052300000e+00 -2.9666000000e-01 -1.6056000000e-01 -4.3186400000e+00 -1.4407100000e+00  6.5658000000e-01  5.8228800000e+00 -1.6170100000e+00  4.6423000000e-01  4.9019300000e+00 -5.5860000000e-01  3.1721000000e-01  5.9743300000e+00  2.8372400000e+00 -1.1986100000e+00 -2.8209000000e+00  3.7130400000e+00 -1.3122900000e+00 -3.1900800000e+00  2.8634600000e+00 -3.3869000000e-01 -2.4012800000e+00 -3.0997000000e-01  1.2906400000e+00 -3.2193400000e+00 -2.7928000000e-01  2.1617200000e+00 -3.6149700000e+00  2.5820000000e-01  1.3555300000e+00 -2.4517500000e+00  1.7467300000e+00  8.5064000000e-01 -1.1862300000e+00  1.0636200000e+00  2.0005000000e-01 -1.0239700000e+00  1.6015000000e+00  1.5223800000e+00 -5.1996000000e-01  3.0194000000e-01 -2.6445300000e+00 -2.4400400000e+00  6.9130000000e-02 -2.9417100000e+00 -3.3196500000e+00  1.0933300000e+00 -2.1208400000e+00 -2.5652800000e+00 -1.6430000000e-02  2.0093400000e+00  5.7944000000e-01 -2.5599000000e-01  1.4004800000e+00  1.2781000000e+00 -7.3464000000e-01  2.6416500000e+00  5.5542000000e-01 -2.2637500000e+00 -8.8026000000e-01  3.5144900000e+00 -2.9954400000e+00 -1.2788200000e+00  3.0433100000e+00 -1.4984000000e+00 -1.0656100000e+00  2.9703300000e+00
ENERGY -9.171581831196e+02
EMD0 -2.913054310000e+02
FORCES  -3.0532000000e-03 -9.3492000000e-03 -8.8032000000e-03  2.5410000000e-03  1.8201600000e-02  7.7800000000e-03  1.1296700000e-02 -4.4778000000e-03 -2.5740000000e-04  9.7863000000e-03 -4.8257000000e-03 -3.8543000000e-03  9.7766000000e-03  2.4630000000e-04  1.2430700000e-02 -4.4962000000e-03  5.6516000000e-03 -1.1704500000e-02  6.3245000000e-03 -1.0888000000e-03 -2.4269000000e-03 -4.5820000000e-03  2.9395000000e-03 -2.6420000000e-03  2.2769000000e-03 -3.2226000000e-03  2.8718000000e-03 -1.4066700000e-02 -1.7570000000e-04  6.8258000000e-03 -1.0193000000e-03 -4.5285000000e-03  5.1637000000e-03  3.0706000000e-03  4.8965000000e-03 -6.5056000000e-03  3.0124000000e-03  1.1550000000e-02  4.6929000000e-03  2.0178000000e-03  4.5700000000e-04  1.8154000000e-03 -4.4610000000e-03 -8.0341000000e-03 -2.0354000000e-03 -6.6160000000e-03 -7.2830000000e-03 -1.8185000000e-03  1.0778900000e-02  8.6068000000e-03  5.2058000000e-03 -1.1235000000e-03  8.9490000000e-04 -3.8345000000e-03 -3.3165000000e-03  1.0825000000e-03  2.7490000000e-04  1.1926000000e-03  7.1514000000e-03  4.1272000000e-03  8.4184000000e-03 -1.0282700000e-02 -7.8368000000e-03  3.3392000000e-03 -4.3912000000e-03 -3.3033000000e-03  3.9873000000e-03  3.5110000000e-04  5.5088000000e-03 -1.4445200000e-02 -4.8310000000e-04 -7.3258000000e-03 -1.6183400000e-02 -2.3423000000e-03  1.0818000000e-02  1.1112000000e-02  9.5163000000e-03 -7.7553000000e-03  5.0005000000e-03 -6.7015000000e-03 -6.3064000000e-03  9.0160000000e-04  2.8393000000e-03  1.1047000000e-03  6.4676000000e-03  1.6500000000e-05  1.5502000000e-03 -1.7171000000e-02 -7.5060000000e-04  2.5878000000e-03 -4.3270000000e-03 -4.6409000000e-03  9.9809000000e-03 -4.1677000000e-03  9.3493000000e-03 -4.8511000000e-03  3.2950000000e-04 -5.4057000000e-03 -3.1948000000e-03  6.3185000000e-03  1.6220000000e-03 -1.5327000000e-03  5.1792000000e-03 -1.6188000000e-03 -4.2034000000e-03 -1.4099400000e-02 -5.7705000000e-03  7.4534000000e-03

JOB 238
COORDS  -1.7375400000e+00 -3.2879000000e+00 -5.7315000000e-01 -1.3611800000e+00 -2.5645100000e+00 -1.0744300000e+00 -1.4491100000e+00 -4.0753300000e+00 -1.0346700000e+00 -2.0157700000e+00 -1.5044300000e+00  1.3518400000e+00 -1.9300500000e+00 -2.3424700000e+00  8.9733000000e-01 -2.1464900000e+00 -8.6429000000e-01  6.5229000000e-01 -2.3296900000e+00  1.6586500000e+00  3.7823000000e-01 -1.9445000000e+00  1.7372100000e+00  1.2509800000e+00 -3.2119600000e+00  1.3219800000e+00  5.3471000000e-01  5.4305500000e+00 -2.5609300000e+00 -2.7822300000e+00  4.4778800000e+00 -2.6534400000e+00 -2.7918300000e+00  5.6807900000e+00 -2.7486000000e+00 -1.8775800000e+00  5.1826000000e-01  1.5478300000e+00 -2.1020300000e+00  1.3205200000e+00  1.5966000000e+00 -1.5822000000e+00 -4.1510000000e-02  2.2371800000e+00 -1.7447100000e+00 -1.2494100000e+00  1.3704800000e+00  2.9759300000e+00 -2.1119500000e+00  9.5572000000e-01  2.9912500000e+00 -8.3244000000e-01  1.0872300000e+00  3.7896500000e+00  2.7450400000e+00 -1.3128900000e+00 -1.3440500000e+00  3.0875500000e+00 -6.3621000000e-01 -1.9280200000e+00  2.9050300000e+00 -9.7343000000e-01 -4.6349000000e-01  1.0705000000e+00  5.7699000000e-01  1.8923600000e+00  8.5604000000e-01 -2.3418000000e-01  1.4316800000e+00  2.6604000000e-01  8.0950000000e-01  2.3560800000e+00  2.4804900000e+00  1.7466200000e+00 -1.4126000000e-01  2.4848600000e+00  2.7038100000e+00 -1.4428000000e-01  2.1490900000e+00  1.5108700000e+00  7.2524000000e-01 -9.6390000000e-02 -1.3359200000e+00 -1.7131200000e+00 -3.6339000000e-01 -4.2863000000e-01 -1.8606500000e+00  8.4461000000e-01 -1.3406800000e+00 -1.8883800000e+00 -1.1553900000e+00  3.4195500000e+00 -1.0678000000e+00 -1.5795900000e+00  2.8099200000e+00 -4.6396000000e-01 -1.8535300000e+00  3.6925800000e+00 -1.6630300000e+00 -3.5336800000e+00 -3.2373000000e-01  3.0377100000e+00 -4.3693800000e+00 -7.1351000000e-01  2.7809700000e+00 -2.8788900000e+00 -8.0526000000e-01  2.5321300000e+00
ENERGY -9.171586554068e+02
EMD0 -3.091384730000e+02
FORCES   6.4657000000e-03  7.7590000000e-03  2.6290000000e-04 -1.4011600000e-02 -1.1400600000e-02  8.2730000000e-03  1.7914000000e-03  3.5281000000e-03 -4.3774000000e-03 -1.1787000000e-03 -1.5120400000e-02 -1.1048000000e-03 -2.6141000000e-03  1.7909800000e-02  2.9054000000e-03 -5.3616000000e-03 -4.2689000000e-03  4.3610000000e-03  8.9364000000e-03  1.4188400000e-02 -9.4445000000e-03 -1.1449000000e-02 -2.6454000000e-03 -4.6335000000e-03  5.8613000000e-03 -2.8524000000e-03  4.8051000000e-03  2.9840000000e-04  4.1110000000e-04 -7.8880000000e-04  4.3704000000e-03 -5.6420000000e-04  1.3373000000e-03 -3.2180000000e-03 -4.3130000000e-04 -1.7555000000e-03 -1.9800000000e-05  1.4124900000e-02  9.6064000000e-03 -6.7553000000e-03  5.8931000000e-03 -6.2794000000e-03  9.4611000000e-03 -1.1107300000e-02  7.4870000000e-04 -2.3753000000e-03 -2.1140000000e-03 -4.2064000000e-03  1.4858600000e-02  6.1676000000e-03 -6.4988000000e-03  1.4142000000e-03 -4.9705000000e-03 -8.2226000000e-03 -1.0450000000e-03  1.8746000000e-03  4.8332000000e-03 -2.4180000000e-03 -3.9943000000e-03  2.3742000000e-03  1.6408000000e-03 -1.0034000000e-03 -2.9590000000e-03 -1.2779900000e-02  7.0642000000e-03  2.7094000000e-03  2.8280000000e-04  3.4421000000e-03  3.1996000000e-03  6.2945000000e-03 -6.5927000000e-03  6.0949000000e-03 -9.0331000000e-03 -7.7533000000e-03  8.4007000000e-03 -4.6552000000e-03 -3.6675000000e-03  2.3486000000e-03  1.1487100000e-02  9.9027000000e-03 -1.0652500000e-02  1.4568800000e-02  4.0948000000e-03 -4.5400000000e-04 -2.4213000000e-03 -1.1705800000e-02  2.3813000000e-03 -9.2328000000e-03  4.7261000000e-03 -6.0175000000e-03 -5.8305000000e-03 -1.2276500000e-02  9.4747000000e-03  7.0719000000e-03  5.0566000000e-03 -5.0086000000e-03 -2.2929000000e-03 -3.6104000000e-03  3.3228000000e-03  8.3755000000e-03 -1.7332000000e-02 -7.0767000000e-03  3.2879000000e-03 -3.0126000000e-03 -4.0369000000e-03 -9.7748000000e-03  2.0280300000e-02  6.0776000000e-03

JOB 239
COORDS  -3.8625500000e+00 -1.2153500000e+00 -1.6700600000e+00 -3.6071400000e+00 -3.6714000000e-01 -2.0327400000e+00 -4.8125100000e+00 -1.2483400000e+00 -1.7828100000e+00 -1.7244900000e+00 -1.7028000000e+00 -9.2290000000e-02 -2.4753200000e+00 -1.8773700000e+00 -6.5974000000e-01 -1.0103900000e+00 -1.4971600000e+00 -6.9562000000e-01 -2.5006200000e+00  9.1571000000e-01  4.8120000000e-01 -2.3787300000e+00  1.0071000000e+00  1.4262000000e+00 -2.4066100000e+00 -2.2560000000e-02  3.1673000000e-01  3.0213300000e+00 -1.7292500000e+00 -5.7821000000e-01  3.7371700000e+00 -1.3266300000e+00 -8.6570000000e-02  3.0383200000e+00 -2.6497800000e+00 -3.1634000000e-01 -2.6743000000e-01  1.1300400000e+00 -2.8730800000e+00  2.2153000000e-01  1.3820300000e+00 -2.0897200000e+00 -1.1070600000e+00  1.5816200000e+00 -2.7875000000e+00 -1.2635200000e+00  1.1439900000e+00  2.9940500000e+00 -8.9035000000e-01  2.6272000000e-01  3.0122800000e+00 -1.9052800000e+00  1.1476000000e+00  3.7042400000e+00  5.0066600000e+00 -8.1664000000e-01  1.1080900000e+00  5.7663500000e+00 -8.7129000000e-01  1.6878500000e+00  4.5489400000e+00 -2.3380000000e-02  1.3864200000e+00  7.3456000000e-01  1.1341700000e+00  6.1080000000e-02  7.6962000000e-01  2.5102000000e-01 -3.0641000000e-01 -1.9718000000e-01  1.3532300000e+00  7.0850000000e-02  2.8229600000e+00  1.4308800000e+00  1.7370100000e+00  2.2911700000e+00  1.3829900000e+00  2.5314500000e+00  2.1931100000e+00  1.6003900000e+00  1.0364600000e+00  5.9388000000e-01 -1.3855000000e+00 -1.4735400000e+00  5.8903000000e-01 -1.0278300000e+00 -2.3613900000e+00  1.5160000000e+00 -1.5687100000e+00 -1.2936500000e+00 -2.6733800000e+00  2.2805500000e+00 -1.7545700000e+00 -2.5442900000e+00  1.9195700000e+00 -8.7749000000e-01 -3.4118500000e+00  2.8821900000e+00 -1.6601700000e+00  2.4383000000e-01 -1.2007000000e+00  1.9878300000e+00  3.3483000000e-01 -3.5413000000e-01  1.5505100000e+00 -3.2910000000e-01 -1.7076500000e+00  1.4125300000e+00
ENERGY -9.171881388547e+02
EMD0 -3.491139300000e+02
FORCES   4.7854000000e-03 -2.8839000000e-03  4.0615000000e-03 -6.6403000000e-03 -5.8366000000e-03  1.2368000000e-03  2.0378000000e-03  5.8485000000e-03 -2.7651000000e-03  2.6131000000e-03 -7.2553000000e-03 -8.7510000000e-03  1.2679600000e-02  5.6823000000e-03  8.2250000000e-04 -1.7363000000e-02  3.8503000000e-03  6.2092000000e-03  6.0890000000e-04 -7.5580000000e-03  6.0810000000e-04 -7.2318000000e-03 -9.1544000000e-03 -9.4537000000e-03 -3.5151000000e-03  1.7293200000e-02  6.4493000000e-03  3.6528000000e-03  1.2105800000e-02  5.5344000000e-03 -9.1603000000e-03 -6.5276000000e-03 -4.2910000000e-03  9.4000000000e-06  2.1132000000e-03 -1.3232000000e-03 -4.0945000000e-03  6.4648000000e-03 -2.0100000000e-04 -6.2883000000e-03 -3.0410000000e-03 -1.4096000000e-03  1.0136900000e-02 -4.5017000000e-03  1.9629000000e-03  1.0950300000e-02 -1.3299000000e-03 -8.6750000000e-04 -9.8405000000e-03  1.2020800000e-02  2.5265000000e-03  4.8580000000e-04 -5.4831000000e-03 -4.4946000000e-03 -1.9899000000e-03 -3.5136000000e-03 -3.6092000000e-03 -3.1227000000e-03  6.4556000000e-03  3.5024000000e-03  1.1896500000e-02 -9.9280000000e-03 -1.5781000000e-03  5.2479000000e-03 -3.0828000000e-03  1.4730000000e-04 -5.2281000000e-03  1.3459600000e-02  1.0256700000e-02  8.9383000000e-03 -6.4926000000e-03 -5.0115000000e-03 -1.1904500000e-02  9.3000000000e-04 -8.0805000000e-03 -1.5648000000e-03  1.2751000000e-03 -2.7096000000e-03  5.5896000000e-03  1.6436000000e-03  8.5002000000e-03  1.1515300000e-02 -9.7205000000e-03  7.0046000000e-03  9.2703000000e-03 -5.5972000000e-03  5.5120000000e-03 -1.5943300000e-02  3.4662000000e-03 -1.2148400000e-02  3.3782000000e-03 -5.3007000000e-03  1.3144500000e-02 -2.1159000000e-03  1.0093500000e-02 -1.4894100000e-02 -2.5780000000e-04 -2.9003000000e-03  6.2006000000e-03  3.5032000000e-03 -5.7749000000e-03 -9.1343000000e-03 -8.5345000000e-03 -3.9842000000e-03  4.4941000000e-03  7.4959000000e-03  7.1632000000e-03  2.5488000000e-03

JOB 240
COORDS  -3.9350200000e+00  1.1020200000e+00 -2.7911300000e+00 -3.7737600000e+00  1.2690700000e+00 -1.8625200000e+00 -4.1508700000e+00  1.9604600000e+00 -3.1554500000e+00  3.5776000000e-01 -1.4168800000e+00 -1.1548300000e+00 -1.2278000000e-01 -1.5149200000e+00 -1.9768400000e+00  8.2737000000e-01 -5.8810000000e-01 -1.2487400000e+00 -8.9667000000e-01  4.2858000000e-01  3.4611000000e-01 -6.6648000000e-01  2.9816000000e-01  1.2660200000e+00 -5.7397000000e-01 -3.5685000000e-01 -9.5700000000e-02  2.5969300000e+00 -2.6574200000e+00  2.9131800000e+00  2.3868400000e+00 -1.7567800000e+00  3.1600500000e+00  2.9452400000e+00 -3.0505700000e+00  3.7134000000e+00 -1.9027800000e+00 -8.6301000000e-01 -2.7826600000e+00 -2.5847800000e+00 -1.9337000000e-01 -2.7306900000e+00 -2.3329500000e+00 -1.6668000000e+00 -2.4909200000e+00 -2.2930000000e-02 -1.2485000000e-01  3.0431500000e+00 -2.1050000000e-01 -1.0298200000e+00  2.7940000000e+00  9.3255000000e-01 -6.7750000000e-02  3.0384100000e+00  2.5759900000e+00  9.0600000000e-03  2.0847600000e+00  2.6479100000e+00  7.2636000000e-01  1.4550400000e+00  2.6557700000e+00 -7.8422000000e-01  1.5550600000e+00  1.5821700000e+00  8.8799000000e-01 -8.0225000000e-01  1.3042500000e+00  1.2574600000e+00 -1.6403900000e+00  8.5084000000e-01  1.0610000000e+00 -2.0941000000e-01  2.7199800000e+00  2.7598900000e+00  9.2162000000e-01  1.9395500000e+00  3.2551400000e+00  1.1703700000e+00  2.4130700000e+00  2.1488600000e+00  2.5178000000e-01  4.5827000000e-01  1.5031000000e+00 -3.1743700000e+00 -7.2710000000e-02  7.0931000000e-01 -3.2390600000e+00  5.6660000000e-01  1.7938200000e+00 -4.0799000000e+00 -3.4576800000e+00  1.0351800000e+00  7.4630000000e-02 -2.5361800000e+00  8.1334000000e-01 -5.8990000000e-02 -3.4493300000e+00  1.6784300000e+00  7.8343000000e-01 -6.7330000000e-02 -2.6816100000e+00  1.4046900000e+00  6.5898000000e-01 -3.1499800000e+00  1.8161900000e+00  2.2101000000e-01 -2.5355900000e+00  5.0371000000e-01
ENERGY -9.171688723780e+02
EMD0 -3.314733710000e+02
FORCES  -4.5882000000e-03 -1.4500000000e-03  3.3129000000e-03  5.9831000000e-03  6.4960000000e-04 -2.0328400000e-02 -2.1740000000e-04  1.6502000000e-03  6.9104000000e-03  6.0645000000e-03  1.3266200000e-02  2.6476000000e-03  8.8794000000e-03  4.2279000000e-03  1.4718000000e-03 -2.3152900000e-02 -2.9202000000e-03 -3.5054000000e-03 -6.5856000000e-03 -1.4326100000e-02  4.7376000000e-03  7.1320000000e-04 -2.3439000000e-03 -2.1064700000e-02  5.9460000000e-03  1.6903600000e-02  7.1604000000e-03  4.8846000000e-03  2.2747000000e-03 -1.5947000000e-03 -5.6990000000e-04 -5.1648000000e-03 -2.2519000000e-03 -2.5356000000e-03  5.2775000000e-03  7.4850000000e-04 -9.1121000000e-03  7.6304000000e-03 -2.6559000000e-03  8.0551000000e-03 -1.3180800000e-02  8.8684000000e-03  2.2900000000e-05  3.8452000000e-03  9.8100000000e-04  9.4477000000e-03 -1.4167000000e-03  1.2668000000e-03  5.3474000000e-03  1.1222500000e-02  2.4506000000e-03 -8.3240000000e-03 -8.7928000000e-03  4.7789000000e-03  1.4126000000e-03  9.7693000000e-03  1.7975000000e-03 -4.0228000000e-03 -1.2777300000e-02 -6.9088000000e-03 -3.4558000000e-03  4.6578000000e-03  4.2199000000e-03 -9.1186000000e-03 -4.1620000000e-04 -8.1847000000e-03 -3.8330000000e-03 -1.2931600000e-02  1.6342600000e-02  1.5884400000e-02 -6.1190000000e-04 -8.2058000000e-03  2.0685000000e-03 -1.2090000000e-04 -6.7600000000e-03 -7.4520000000e-04 -4.4856000000e-03 -4.6394000000e-03 -4.1761000000e-03  2.0031000000e-03  1.7046500000e-02  1.6690000000e-03  4.2284000000e-03  3.5480000000e-03  8.9863000000e-03  5.4731000000e-03 -1.8598000000e-03 -4.6247000000e-03 -5.8979000000e-03 -4.5710000000e-04  1.5147900000e-02 -8.9490000000e-03  1.0664800000e-02 -1.5299900000e-02  7.8212000000e-03 -7.1552000000e-03  3.5483000000e-03 -3.3050000000e-04 -8.4510000000e-04 -1.2087000000e-03 -2.1544000000e-03 -6.2597000000e-03 -4.5911000000e-03  3.1815000000e-03 -7.0164000000e-03  2.1005000000e-03 -5.8118000000e-03  1.0738800000e-02

JOB 241
COORDS  -3.4611000000e+00  5.5491000000e-01 -3.3688000000e+00 -3.5898300000e+00  7.5419000000e-01 -2.4414700000e+00 -3.3418300000e+00  1.4092900000e+00 -3.7835700000e+00 -3.1649000000e-01 -1.1621200000e+00 -5.3896000000e-01 -6.7399000000e-01 -1.0302100000e+00 -1.4170400000e+00  6.1552000000e-01 -9.6245000000e-01 -6.2681000000e-01 -1.3398600000e+00  6.4772000000e-01  1.0157000000e+00 -1.6638700000e+00  1.8152000000e-01  1.7863500000e+00 -1.0219300000e+00 -4.2540000000e-02  4.3373000000e-01  3.1847500000e+00 -1.1064700000e+00  1.7086600000e+00  3.5610000000e+00 -3.5384000000e-01  2.1649600000e+00  3.3218400000e+00 -9.1743000000e-01  7.8038000000e-01 -1.3713000000e+00 -8.7345000000e-01 -3.1171000000e+00 -2.1851400000e+00 -3.7033000000e-01 -3.1446600000e+00 -1.6406600000e+00 -1.7752900000e+00 -3.2913900000e+00 -2.2886900000e+00 -1.1676900000e+00  3.0686400000e+00 -2.3629400000e+00 -1.7794400000e+00  3.8010900000e+00 -2.0905000000e+00 -1.7209100000e+00  2.3130500000e+00  4.4298200000e+00  4.9547000000e-01  3.5065400000e+00  3.7940900000e+00  6.9258000000e-01  4.1944500000e+00  5.2418200000e+00  3.0695000000e-01  3.9770300000e+00  1.1509300000e+00  2.3325200000e+00 -1.3241000000e-01  8.6034000000e-01  2.1965200000e+00 -1.0342400000e+00  4.0463000000e-01  2.0637300000e+00  4.0332000000e-01  2.4172200000e+00 -8.7910000000e-02 -8.0068000000e-01  2.4452700000e+00  4.2572000000e-01 -1.6079100000e+00  2.0720900000e+00  5.1648000000e-01 -1.4354000000e-01  7.4661000000e-01  1.4414700000e+00 -2.6292900000e+00  7.1080000000e-02  9.0967000000e-01 -2.2084900000e+00  7.0397000000e-01  1.1962300000e+00 -3.5535600000e+00 -3.7719900000e+00  1.2349700000e+00 -7.6971000000e-01 -3.2722300000e+00  1.4816100000e+00  8.5200000000e-03 -4.4350600000e+00  6.2530000000e-01 -4.4586000000e-01  6.9698000000e-01 -2.2961100000e+00  2.0909000000e+00  1.5361800000e+00 -1.8416400000e+00  2.1646300000e+00  4.4339000000e-01 -2.1846700000e+00  1.1746600000e+00
ENERGY -9.171624447400e+02
EMD0 -3.129920450000e+02
FORCES   3.4118000000e-03 -3.3592000000e-03  8.0317000000e-03  5.1571000000e-03 -7.3485000000e-03 -1.6868100000e-02  2.3110000000e-04  5.3100000000e-04  5.3050000000e-03 -1.8515000000e-03  2.2384000000e-03 -4.5820000000e-03  1.1183100000e-02  5.3355000000e-03  1.6341300000e-02 -1.7204400000e-02 -1.6970000000e-04  2.2410000000e-04  1.2077700000e-02 -1.8575900000e-02 -3.5482000000e-03 -1.4024000000e-03 -5.8803000000e-03 -1.3672500000e-02 -7.9180000000e-03  9.3318000000e-03  9.5090000000e-03  4.0442000000e-03  7.3000000000e-06  4.1471000000e-03 -7.5849000000e-03 -7.2160000000e-04 -1.1653800000e-02  1.7362000000e-03  5.5248000000e-03  9.7644000000e-03 -2.3012000000e-02  1.6651100000e-02 -1.0590800000e-02  1.3987800000e-02 -1.5162900000e-02  9.9440000000e-03 -4.9329000000e-03  3.7165000000e-03  2.8812000000e-03  7.5412000000e-03  2.1662000000e-03  5.5100000000e-03 -3.0831000000e-03 -3.5490000000e-03 -5.0099000000e-03 -5.3030000000e-03  4.3687000000e-03  1.6127000000e-03  2.6920000000e-04 -5.2239000000e-03 -8.1923000000e-03  5.3155000000e-03 -2.1813000000e-03  4.7570000000e-04 -4.6390000000e-03  2.8785000000e-03  5.0874000000e-03  6.2580000000e-04  8.1814000000e-03 -7.0658000000e-03 -5.7311000000e-03 -1.1964300000e-02  7.5712000000e-03  6.8098000000e-03 -1.1740000000e-03 -1.1564100000e-02  1.8991000000e-03  1.4833200000e-02 -1.7363000000e-03  2.1810000000e-04 -1.6136000000e-03  4.0830000000e-03  1.3980000000e-04 -1.5664500000e-02 -4.7412000000e-03  1.8792000000e-03  4.2915000000e-03  3.4661000000e-03  5.2374000000e-03  7.0679000000e-03  2.3528000000e-03 -9.4850000000e-04 -2.0656000000e-03  3.7743000000e-03  1.0140100000e-02  3.8591000000e-03  5.8890000000e-04 -1.5765500000e-02 -2.9410000000e-04 -2.0443000000e-03  3.9528000000e-03  9.1050000000e-04 -7.0500000000e-04  1.2879500000e-02  3.9980000000e-03 -6.4550000000e-04 -1.3099800000e-02 -3.5736000000e-03 -1.3016000000e-03  3.7394000000e-03  2.6305000000e-03  3.2513000000e-03

JOB 242
COORDS  -2.7209800000e+00 -1.6757000000e-01 -3.4219100000e+00 -2.8582500000e+00 -2.2988000000e-01 -2.4766500000e+00 -2.3308500000e+00  6.9689000000e-01 -3.5512900000e+00  1.6026800000e+00 -9.5661000000e-01 -5.9372000000e-01  1.0574900000e+00 -1.3158400000e+00 -1.2936800000e+00  1.1836600000e+00 -1.2544800000e+00  2.1370000000e-01 -4.9079000000e-01  1.0559500000e+00  1.1049600000e+00 -5.5407000000e-01  7.4022000000e-01  2.0063700000e+00  3.3711000000e-01  1.5355200000e+00  1.0762200000e+00  1.9604300000e+00  8.3190000000e-02  3.1978800000e+00  2.6087100000e+00 -6.0856000000e-01  3.0658200000e+00  2.0259300000e+00  6.2657000000e-01  2.4125900000e+00 -4.7795000000e-01 -1.8912900000e+00 -2.8389300000e+00 -1.1168200000e+00 -1.1854000000e+00 -2.9378200000e+00 -6.2572000000e-01 -2.4566700000e+00 -3.5970500000e+00 -6.3208000000e-01  1.4210000000e-01  3.6788700000e+00 -1.0560500000e+00  6.2751000000e-01  4.3865900000e+00  3.0497000000e-01  2.4707000000e-01  3.8436500000e+00  3.8200300000e+00 -2.4550900000e+00  2.0421900000e+00  4.6874300000e+00 -2.8020600000e+00  2.2506600000e+00  3.5936100000e+00 -2.8616500000e+00  1.2057200000e+00 -1.0416600000e+00  3.0482700000e+00 -1.1111300000e+00 -7.7480000000e-01  3.7624000000e+00 -5.3231000000e-01 -1.1435100000e+00  2.2940900000e+00 -5.3054000000e-01  2.0116400000e+00  1.5878300000e+00  5.9040000000e-01  2.9299200000e+00  1.6537400000e+00  3.2837000000e-01  1.6678900000e+00  8.5586000000e-01  7.8260000000e-02 -1.0586900000e+00  2.3217900000e+00 -3.8239200000e+00 -1.0491300000e+00  2.7077500000e+00 -2.9480300000e+00 -1.4417000000e-01  2.3435100000e+00 -4.1057400000e+00 -3.5033800000e+00 -6.5203000000e-01 -6.8539000000e-01 -4.1120500000e+00 -1.2834100000e+00 -3.0184000000e-01 -3.1767700000e+00 -1.4963000000e-01  6.1030000000e-02  3.9577000000e-01 -2.0964800000e+00  1.6645200000e+00  1.0973200000e+00 -2.0278600000e+00  2.3120900000e+00 -3.9573000000e-01 -2.2421900000e+00  2.1827100000e+00
ENERGY -9.171629410364e+02
EMD0 -3.046714690000e+02
FORCES  -9.5706000000e-03  3.2102000000e-03 -3.1525000000e-03  1.3640200000e-02  5.2962000000e-03 -9.3319000000e-03 -5.9465000000e-03 -9.8504000000e-03  1.0905400000e-02 -8.2711000000e-03 -8.4540000000e-03 -1.2645000000e-03  5.2336000000e-03  9.2430000000e-04  1.0834700000e-02  9.5810000000e-03  5.5439000000e-03 -7.5145000000e-03  5.9103000000e-03 -1.0053300000e-02  1.1934600000e-02  1.0845100000e-02  9.1574000000e-03 -9.4883000000e-03  1.9010000000e-04 -6.8721000000e-03  3.6000000000e-04 -5.0865000000e-03  2.2122000000e-03 -3.3309000000e-03 -5.7004000000e-03  5.5857000000e-03 -3.4493000000e-03  5.5000000000e-04 -9.6368000000e-03  1.0244800000e-02 -1.0879500000e-02  5.1776000000e-03 -3.8643000000e-03  1.0037000000e-02 -7.3474000000e-03  3.6281000000e-03 -1.9710000000e-03  1.5304000000e-03 -2.8010000000e-04  1.0474800000e-02 -4.0824000000e-03 -8.0753000000e-03  8.0694000000e-03  5.5700000000e-05  9.8290000000e-04 -1.7324200000e-02  8.8271000000e-03  3.3751000000e-03  6.8590000000e-04 -9.4600000000e-05 -7.2670000000e-04 -2.0873000000e-03 -1.8628000000e-03 -5.3488000000e-03  6.3239000000e-03 -2.7539000000e-03  4.7545000000e-03  1.6360000000e-04 -3.9590000000e-03 -1.6230000000e-04 -8.7460000000e-04 -3.3414000000e-03  2.9855000000e-03  2.6880000000e-04  1.1136000000e-02 -4.7485000000e-03 -1.1577400000e-02 -2.9260000000e-03 -9.4024000000e-03 -1.8045000000e-03 -5.2094000000e-03 -5.8230000000e-04  2.1944000000e-03  1.8228000000e-02  1.5917800000e-02 -4.6630000000e-04  3.4322000000e-03  4.8621000000e-03  3.6566000000e-03 -5.4591000000e-03 -1.3327600000e-02  1.3000000000e-04  3.9681000000e-03  4.6258000000e-03  7.6850000000e-04 -1.7833000000e-03 -6.0735000000e-03  2.2188000000e-03  3.8847000000e-03  6.0455000000e-03 -6.8597000000e-03 -4.4966000000e-03  3.4990000000e-04 -5.1133000000e-03  6.0892000000e-03 -3.0508000000e-03 -2.7163000000e-03 -1.1701000000e-03 -2.1073000000e-03  5.3075000000e-03 -4.9065000000e-03  3.4750000000e-03

JOB 243
COORDS  -1.1923000000e-01  1.7318000000e-01 -3.2767100000e+00 -4.9203000000e-01 -1.7044000000e-01 -2.4648200000e+00 -5.4423000000e-01  1.0226200000e+00 -3.3952800000e+00  5.4901000000e-01 -2.3494400000e+00 -8.2423000000e-01  1.0047600000e+00 -2.4266200000e+00 -1.6624200000e+00 -3.5762000000e-01 -2.1541300000e+00 -1.0611300000e+00 -6.6865000000e-01  1.2360900000e+00  1.9916700000e+00 -3.1197000000e-01  1.7344100000e+00  2.7269800000e+00  5.4440000000e-02  1.1792200000e+00  1.3670600000e+00  2.0540200000e+00  9.5100000000e-03  2.9321100000e+00  1.7922200000e+00 -9.0996000000e-01  2.9797200000e+00  2.3463500000e+00  1.2934000000e-01  2.0285600000e+00  1.9712900000e+00 -1.7402700000e+00 -3.6788800000e+00  1.3698100000e+00 -1.0127200000e+00 -3.8373800000e+00  1.7896900000e+00 -2.3600500000e+00 -4.3853700000e+00  1.3249400000e+00  2.3561300000e+00  3.9004000000e+00  1.9290100000e+00  2.8856400000e+00  4.4209200000e+00  1.6853400000e+00  1.4703400000e+00  3.9419000000e+00  1.3647000000e+00 -2.5604500000e+00  1.7366000000e+00  1.9780100000e+00 -3.2692600000e+00  1.9307200000e+00  1.3275400000e+00 -2.5303500000e+00  7.8059000000e-01 -2.3529500000e+00  1.9693300000e+00 -1.3985000000e-01 -3.1279300000e+00  1.9071000000e+00  4.1851000000e-01 -1.6161500000e+00  1.9674900000e+00  4.7117000000e-01  1.4020300000e+00  5.5060000000e-01 -2.3228000000e-01  1.9567600000e+00  8.9247000000e-01 -9.3344000000e-01  1.3964300000e+00 -3.9650000000e-01 -3.7087000000e-01 -2.4561100000e+00  2.6263200000e+00 -3.1754100000e+00 -2.2967500000e+00  2.7081800000e+00 -2.2351300000e+00 -2.8722700000e+00  3.4525600000e+00 -3.4211200000e+00 -2.0774700000e+00 -9.0044000000e-01 -8.7595000000e-01 -2.1648600000e+00 -1.4943300000e+00 -1.3037000000e-01 -2.0714600000e+00 -2.5950000000e-02 -4.8677000000e-01 -1.0934300000e+00 -1.3818400000e+00  1.6229900000e+00 -2.9147000000e-01 -1.9009900000e+00  1.6828200000e+00 -8.5315000000e-01 -5.2698000000e-01  1.9803700000e+00
ENERGY -9.171838043174e+02
EMD0 -3.302310680000e+02
FORCES  -7.1042000000e-03  5.2280000000e-04 -1.6639000000e-03  5.8990000000e-03  5.2986000000e-03 -5.0126000000e-03  4.1302000000e-03 -4.4851000000e-03  6.3778000000e-03 -1.0839000000e-02 -1.3935000000e-03  4.3276000000e-03 -9.6630000000e-03  1.5108000000e-03  9.2049000000e-03  1.1743400000e-02 -8.4023000000e-03 -7.2491000000e-03  3.1189000000e-03 -5.4771000000e-03  6.7506000000e-03 -3.7460000000e-03 -5.3735000000e-03 -9.8029000000e-03 -1.2120600000e-02  2.6452000000e-03  6.6191000000e-03 -3.9070000000e-03  2.5527000000e-03 -2.9732000000e-03  3.4370000000e-03  6.0603000000e-03  1.2734000000e-03  3.7060000000e-04 -4.9167000000e-03  4.3491000000e-03  1.4355000000e-03  8.9980000000e-03 -3.5390000000e-03  7.9436000000e-03 -1.3708500000e-02 -3.7738000000e-03 -3.5775000000e-03  3.7419000000e-03  8.9490000000e-04  9.0850000000e-04 -7.7856000000e-03 -5.7005000000e-03  4.4328000000e-03 -7.5636000000e-03  5.9700000000e-05 -7.2480000000e-04  1.3587200000e-02  9.5267000000e-03 -1.4890300000e-02  2.1008000000e-03 -9.2801000000e-03  1.8117000000e-03  2.9118000000e-03 -7.1942000000e-03  7.9414000000e-03 -2.2173000000e-03  1.6843100000e-02  2.8883000000e-03  1.3863000000e-03  8.7599000000e-03  3.5168000000e-03 -7.2710000000e-04  1.3146000000e-03 -5.6436000000e-03 -1.1265000000e-03 -9.7154000000e-03 -4.5027000000e-03 -1.8571000000e-03 -6.6221000000e-03  1.1351000000e-03 -6.1999000000e-03  1.6672000000e-03  9.6627000000e-03  1.0279000000e-02  5.5240000000e-04 -4.1299000000e-03 -2.9506000000e-03  1.2355000000e-03  1.2171000000e-03  7.0618000000e-03 -1.1576100000e-02  7.1450000000e-04 -1.8720000000e-04  5.6342000000e-03 -1.9108000000e-03  8.8392000000e-03  1.5540900000e-02 -2.5972000000e-03 -5.8090000000e-04 -9.7466000000e-03  9.6780000000e-04 -9.4684000000e-03  5.4120000000e-04  3.2383000000e-03  9.4765000000e-03  1.0334000000e-03  1.2564000000e-03  9.1512000000e-03 -4.5500000000e-03  7.5869000000e-03 -1.1703300000e-02 -4.1068000000e-03

JOB 244
COORDS  -1.1481200000e+00 -2.5652000000e-01 -3.2936900000e+00 -1.7002400000e+00 -1.0151400000e+00 -3.1042300000e+00 -1.7166900000e+00  4.9823000000e-01 -3.1410100000e+00  1.0247000000e+00 -3.3296500000e+00 -1.2838000000e+00  1.4563200000e+00 -2.6031700000e+00 -1.7334300000e+00  1.1802000000e-01 -3.0416300000e+00 -1.1779000000e+00 -6.3751000000e-01  1.4279200000e+00  1.8261300000e+00 -2.9138000000e-01  1.6607400000e+00  2.6876600000e+00  1.3694000000e-01  1.2118300000e+00  1.3067400000e+00  2.8197900000e+00 -4.2000000000e-03  2.3518100000e+00  2.5687100000e+00 -9.2498000000e-01  2.4250600000e+00  2.2788800000e+00  3.3608000000e-01  1.6391700000e+00  1.4514000000e+00 -2.0080000000e-01 -2.2988400000e+00  5.5166000000e-01 -2.9500000000e-01 -2.6116200000e+00  1.9086300000e+00  2.4282000000e-01 -3.0132500000e+00  6.6263000000e-01  1.9483700000e+00  4.0315600000e+00  5.8321000000e-01  1.8524900000e+00  4.9806300000e+00  1.3550100000e+00  1.3349400000e+00  3.7854900000e+00  1.1371400000e+00 -2.8655100000e+00  1.5301200000e+00  6.2710000000e-01 -3.2939000000e+00  2.2175600000e+00  9.2396000000e-01 -3.3526700000e+00  7.3422000000e-01 -1.2115600000e+00  2.9511500000e+00 -5.6433000000e-01 -4.4259000000e-01  3.2942200000e+00 -1.0911000000e-01 -1.6081200000e+00  2.3428600000e+00  5.9340000000e-02  1.6088600000e+00  9.2674000000e-01  1.7694000000e-01  2.2030900000e+00  1.6298100000e+00 -8.5380000000e-02  1.4410100000e+00  4.4065000000e-01 -6.3039000000e-01 -2.7278400000e+00  2.7010800000e+00 -3.0051600000e+00 -2.0494700000e+00  2.7171500000e+00 -2.3300400000e+00 -2.6824200000e+00  3.5664800000e+00 -3.4116600000e+00 -1.6540800000e+00 -2.2334700000e+00 -9.3121000000e-01 -1.6615600000e+00 -1.5762900000e+00 -2.3529000000e-01 -2.3342200000e+00 -2.8579500000e+00 -6.7889000000e-01 -1.3237200000e+00 -1.1044500000e+00  1.4376300000e+00 -4.3231000000e-01 -1.3887900000e+00  1.2356800000e+00 -1.2468400000e+00 -1.6224000000e-01  1.5878300000e+00
ENERGY -9.171819581709e+02
EMD0 -3.338383850000e+02
FORCES  -9.9640000000e-04  7.5440000000e-04 -1.9107000000e-03 -2.7108000000e-03  7.8313000000e-03 -3.9463000000e-03  1.0322000000e-03 -1.0223900000e-02  3.6549000000e-03 -1.4091000000e-03  2.9805000000e-03 -4.6872000000e-03 -6.6355000000e-03 -2.8535000000e-03  3.8810000000e-04  1.5113500000e-02 -3.2916000000e-03  4.9393000000e-03  8.1064000000e-03  1.8224000000e-03  1.6635000000e-02  5.6842000000e-03 -6.5206000000e-03 -1.6747700000e-02 -1.0483100000e-02 -3.1123000000e-03  1.1535600000e-02  3.2281000000e-03 -1.0097000000e-03 -1.9262300000e-02 -2.0411000000e-03  6.6511000000e-03  6.9710000000e-04 -8.6540000000e-04 -2.1810000000e-04  1.1746200000e-02 -1.0086100000e-02  5.2960000000e-04 -4.3889000000e-03  2.1651600000e-02  1.3095000000e-03  5.4660000000e-03 -4.6941000000e-03  2.3950000000e-04 -7.1350000000e-04 -4.7595000000e-03  2.4973000000e-03 -7.2075000000e-03  5.7027000000e-03 -3.9353000000e-03 -2.0341000000e-03 -1.3094000000e-02  4.8165000000e-03  5.5283000000e-03  9.5896000000e-03 -5.6180000000e-03 -9.5515000000e-03 -1.0523000000e-03 -6.7650000000e-04 -6.7184000000e-03 -1.2002300000e-02  8.5900000000e-04  1.6154500000e-02  1.3470000000e-04 -3.5860000000e-04  7.2345000000e-03 -4.4600000000e-04 -5.0530000000e-04  3.6430000000e-04  1.4462000000e-03  1.7108000000e-03 -6.5395000000e-03  2.9151000000e-03 -1.4473900000e-02 -9.1973000000e-03 -9.0470000000e-04 -2.7178000000e-03 -1.9432000000e-03  1.0055000000e-03  1.2517700000e-02  1.6674000000e-02 -1.7708000000e-03  4.4536000000e-03  5.5530000000e-03 -4.4905000000e-03 -2.8682000000e-03 -1.3504500000e-02  3.2794000000e-03  6.4400000000e-05  3.3946000000e-03 -2.2660000000e-04  1.1850800000e-02  1.9180900000e-02  1.3813000000e-03 -9.7282000000e-03 -1.5262300000e-02  9.7960000000e-04  2.5699000000e-03  1.2003000000e-03  3.6666000000e-03  1.1977500000e-02  1.1875300000e-02 -1.1277500000e-02  9.1690000000e-03 -7.9543000000e-03  5.0293000000e-03 -1.6493400000e-02 -1.0652900000e-02

JOB 245
COORDS  -1.1427900000e+00  5.3305000000e-01 -2.5170800000e+00 -1.5213100000e+00  1.0384000000e-01 -1.7497900000e+00 -1.6488000000e+00  1.3396500000e+00 -2.6149000000e+00  1.2229000000e+00 -1.4484200000e+00 -1.9074000000e-01  7.0517000000e-01 -8.3046000000e-01  3.2531000000e-01  5.9975000000e-01 -2.1283900000e+00 -4.4680000000e-01 -3.2738000000e-01  6.1819000000e-01  7.1354000000e-01 -6.4000000000e-03  6.9436000000e-01  1.6121000000e+00  2.3005000000e-01  1.2102400000e+00  2.0858000000e-01  2.5332000000e+00 -1.9593600000e+00  3.8502800000e+00  2.9883900000e+00 -2.3914600000e+00  3.1275600000e+00  2.4141600000e+00 -2.6477000000e+00  4.5046900000e+00  1.7236000000e+00  4.5980000000e-02 -2.3340200000e+00  8.1100000000e-01  6.5280000000e-02 -2.6221400000e+00  1.7378800000e+00 -5.9697000000e-01 -1.6250400000e+00  8.7039000000e-01  2.6952000000e-01  3.4110400000e+00  1.5097200000e+00  7.4001000000e-01  3.9459400000e+00  1.2544400000e+00 -5.9827000000e-01  3.2858400000e+00  3.2915800000e+00 -2.9615400000e+00  1.1296400000e+00  3.9281500000e+00 -2.4876300000e+00  5.9446000000e-01  2.4415500000e+00 -2.7196100000e+00  7.6202000000e-01 -9.0722000000e-01  3.7262400000e+00 -3.0834600000e+00 -1.2387200000e+00  4.3758700000e+00 -2.4635300000e+00 -2.2552000000e-01  3.2593400000e+00 -2.6002100000e+00  1.1198400000e+00  2.4915700000e+00 -7.8723000000e-01  1.5172500000e+00  3.3555600000e+00 -6.7852000000e-01  1.7917300000e+00  1.9722200000e+00 -1.2289000000e+00 -2.7958200000e+00 -1.5233000000e-01 -3.0525000000e-01 -2.0522900000e+00  7.2470000000e-02  2.5410000000e-01 -3.5280300000e+00  3.4666000000e-01  5.6840000000e-02 -1.0302900000e+00 -2.8163300000e+00 -8.4040000000e-01 -1.7808700000e+00 -2.2306800000e+00 -9.3984000000e-01 -1.1801000000e+00 -3.5096800000e+00 -1.4830900000e+00 -4.4951800000e+00  1.5631700000e+00  8.3140000000e-01 -4.5477900000e+00  2.3346200000e+00  2.6719000000e-01 -5.1832200000e+00  1.6954500000e+00  1.4835700000e+00
ENERGY -9.171818255151e+02
EMD0 -3.339326970000e+02
FORCES  -6.2275000000e-03  1.1185000000e-03  4.5408000000e-03  7.9154000000e-03  2.3387000000e-03 -4.3638000000e-03 -1.5959000000e-03 -4.1756000000e-03  4.6517000000e-03 -1.9317500000e-02  1.5089900000e-02 -5.6157000000e-03  8.0196000000e-03 -1.1134900000e-02 -3.7262000000e-03  1.2416200000e-02  5.6540000000e-03  6.2882000000e-03  2.7100000000e-05  9.5324000000e-03 -4.2304000000e-03  1.9380000000e-04  3.3820000000e-04 -1.7522700000e-02  2.3500000000e-04 -1.3703800000e-02  1.2412800000e-02  1.8992000000e-03  1.3073000000e-03 -4.1216000000e-03 -5.2701000000e-03  9.7860000000e-04  1.6456300000e-02  3.4665000000e-03 -2.2674000000e-03 -4.3468000000e-03 -1.0387100000e-02 -1.3022700000e-02  6.0590000000e-03  9.8001000000e-03 -6.3198000000e-03  4.1621000000e-03 -7.8950000000e-04  6.3715000000e-03 -9.0466000000e-03  5.4825000000e-03 -8.9028000000e-03  7.7098000000e-03  8.2900000000e-04 -1.7949000000e-03 -3.0750000000e-04 -5.2114000000e-03  1.1571300000e-02 -4.7350000000e-03 -6.9507000000e-03  3.1493000000e-03 -9.5983000000e-03 -1.7169000000e-03 -5.5280000000e-04 -1.4740000000e-04  9.1805000000e-03 -7.6007000000e-03  4.4124000000e-03  2.9291000000e-03 -6.5390000000e-04 -3.4649000000e-03  3.1489000000e-03 -3.1615000000e-03  1.2292000000e-03 -6.6772000000e-03  8.4529000000e-03 -1.3393000000e-03 -7.9080000000e-04 -9.5664000000e-03  4.4160000000e-04  1.8233000000e-03 -3.5462000000e-03 -6.5380000000e-03  3.7000000000e-06  1.7540200000e-02  1.2523100000e-02 -6.9405000000e-03  1.1722900000e-02  8.0197000000e-03 -1.1876100000e-02 -3.2665000000e-03 -7.0493000000e-03  8.9996000000e-03  2.3610000000e-04 -1.1115000000e-03  2.1021000000e-03  5.8571000000e-03  5.0367000000e-03  5.1812000000e-03 -1.0142500000e-02 -6.1645000000e-03 -3.8577000000e-03  3.7539000000e-03  3.2030000000e-04  7.5148000000e-03 -1.0181700000e-02 -3.2390000000e-04 -3.7591000000e-03 -1.6087000000e-03  4.0948000000e-03  2.0050000000e-04  6.5900000000e-03 -4.6050000000e-03

JOB 246
COORDS  -4.3175100000e+00  1.2439000000e-01 -3.9485100000e+00 -3.5561700000e+00 -3.0140000000e-01 -3.5544300000e+00 -4.7997500000e+00 -5.8755000000e-01 -4.3690000000e+00  6.3698000000e-01 -1.4268100000e+00 -5.0789000000e-01  3.4695000000e-01 -8.6209000000e-01  2.0849000000e-01 -1.3258000000e-01 -1.5155600000e+00 -1.0701400000e+00  7.1901000000e-01  9.3841000000e-01  1.0790200000e+00  1.2184500000e+00  9.9451000000e-01  1.8936700000e+00  1.2160700000e+00  1.4682900000e+00  4.5581000000e-01  2.0438600000e+00 -2.1872800000e+00  3.4823200000e+00  2.4134400000e+00 -2.1470200000e+00  2.6002700000e+00  1.2164600000e+00 -2.6563700000e+00  3.3746700000e+00  2.4762800000e+00  1.4579000000e-01 -1.9552200000e+00  1.7703800000e+00 -2.4707000000e-01 -1.4417900000e+00  2.4425500000e+00 -3.0886000000e-01 -2.7968800000e+00  1.7344700000e+00  7.3354000000e-01  3.6943700000e+00  1.3548600000e+00  1.0109700000e+00  4.5281300000e+00  1.9291600000e+00 -1.9564000000e-01  3.8166700000e+00  3.2556600000e+00 -1.0619900000e+00  8.4334000000e-01  2.4229000000e+00 -1.4140800000e+00  5.2906000000e-01  3.6163400000e+00 -5.9171000000e-01  9.1690000000e-02 -1.2152500000e+00  1.8597700000e+00 -1.0885700000e+00 -1.0016600000e+00  1.6537100000e+00 -1.7854000000e-01 -3.8075000000e-01  1.7911200000e+00 -1.5523900000e+00  2.0258700000e+00  2.7459300000e+00 -6.5625000000e-01  2.7053100000e+00  3.3981100000e+00 -4.8520000000e-01  2.4518000000e+00  2.0968000000e+00 -1.2161000000e+00 -1.7387500000e+00 -1.1173500000e+00  1.4754500000e+00 -1.7967200000e+00 -1.8387000000e-01  1.2717400000e+00 -2.5597600000e+00 -1.3161900000e+00  1.9255900000e+00 -1.8462700000e+00 -1.3014400000e+00 -1.2720500000e+00 -2.2537100000e+00 -1.6153800000e+00 -4.6479000000e-01 -2.4148500000e+00 -5.9013000000e-01 -1.5669600000e+00 -3.7050300000e+00  5.5217000000e-01 -1.0880000000e+00 -4.3638900000e+00  9.2777000000e-01 -1.6719900000e+00 -2.9316800000e+00  1.1021000000e+00 -1.2134500000e+00
ENERGY -9.171634898928e+02
EMD0 -2.914175600000e+02
FORCES  -1.2240000000e-04  1.8114000000e-03 -8.3130000000e-04 -3.7713000000e-03 -5.1270000000e-04 -2.0668000000e-03  4.6196000000e-03 -1.0620000000e-03  2.7811000000e-03 -2.4822200000e-02 -3.2102000000e-03  1.9803000000e-03  1.9888000000e-03 -7.6429000000e-03 -9.0824000000e-03  1.3697400000e-02  3.8500000000e-03  3.0505000000e-03  1.2425400000e-02  4.1946000000e-03  1.1181200000e-02  2.1970000000e-04  4.7024000000e-03 -1.8051800000e-02 -4.6083000000e-03 -1.0089700000e-02  4.0551000000e-03  4.3470000000e-03 -2.2799000000e-03  1.7780000000e-04 -1.0995200000e-02 -3.7219000000e-03  3.2647000000e-03  3.8526000000e-03  2.2670000000e-04 -3.9215000000e-03 -6.5700000000e-03 -1.1563000000e-02  4.8911000000e-03  1.1951900000e-02  1.3345400000e-02 -1.2515600000e-02 -4.2761000000e-03 -1.8087000000e-03  2.4830000000e-03  1.6714000000e-03 -5.9499000000e-03 -3.4918000000e-03  1.7787000000e-03 -5.8184000000e-03  1.3518000000e-03 -4.1622000000e-03  1.5028100000e-02  5.7160000000e-03 -5.3300000000e-04  2.7597000000e-03 -4.9142000000e-03  6.5775000000e-03  2.1187000000e-03  6.3750000000e-03 -2.9489000000e-03 -1.7581000000e-03  1.7099000000e-03  6.0592000000e-03  3.6475000000e-03  1.2917000000e-03 -5.7348000000e-03 -1.8448000000e-03 -8.2630000000e-03 -9.7410000000e-04 -2.3732000000e-03  3.6189000000e-03 -2.5820000000e-03  1.3241000000e-03  1.1312000000e-03  3.2778000000e-03 -4.5239000000e-03 -5.3809000000e-03 -1.6586000000e-03  1.1161100000e-02  1.0444100000e-02  7.1712000000e-03  2.0728000000e-03 -1.0423000000e-03 -6.2282000000e-03 -4.8561000000e-03 -2.1550000000e-04  1.4055000000e-03  3.1488000000e-03 -4.5705000000e-03 -2.5840000000e-03  1.0476900000e-02  1.3421700000e-02 -3.3679000000e-03  1.7530000000e-03 -5.8027000000e-03  4.9611000000e-03  1.0190000000e-04 -4.9630000000e-04  5.0437000000e-03 -5.6290000000e-04  2.8787000000e-03  7.1202000000e-03  3.1539000000e-03  2.7277000000e-03 -1.2229400000e-02 -1.5299000000e-02 -3.8851000000e-03

JOB 247
COORDS  -9.1381000000e-01 -4.6870000000e-01 -2.3565900000e+00 -1.4245900000e+00 -9.1724000000e-01 -1.6826900000e+00 -1.0426800000e+00 -9.9517000000e-01 -3.1455500000e+00  1.2489600000e+00  1.5838400000e+00 -2.3905700000e+00  1.0375800000e+00  2.2307500000e+00 -1.7174700000e+00  4.0182000000e-01  1.2208000000e+00 -2.6489700000e+00  1.1077600000e+00  2.3922600000e+00  2.9956000000e-01  9.7033000000e-01  2.0271200000e+00  1.1736300000e+00  1.9703400000e+00  2.0702400000e+00  3.7850000000e-02  1.5418000000e+00 -1.1610500000e+00  2.7385200000e+00  1.5605100000e+00 -1.2847500000e+00  1.7895400000e+00  2.3836500000e+00 -1.5012200000e+00  3.0415200000e+00  2.5416900000e+00 -8.1528000000e-01 -2.9810200000e+00  2.1424700000e+00  4.9250000000e-02 -2.8839000000e+00  2.7276500000e+00 -8.8996000000e-01 -3.9170100000e+00  1.9720000000e-01  1.2255300000e+00  2.5480900000e+00  2.9155000000e-01  1.8906900000e+00  3.2299300000e+00  6.7690000000e-01  4.6820000000e-01  2.8836000000e+00  1.3844100000e+00 -1.2595700000e+00  1.6450000000e-02  6.6149000000e-01 -6.4236000000e-01 -9.6110000000e-02  1.5528500000e+00 -1.5950500000e+00 -8.6407000000e-01 -3.6435300000e+00  1.1609600000e+00  1.2017500000e+00 -3.2514000000e+00  6.1199000000e-01  1.8808000000e+00 -3.1652100000e+00  1.9882900000e+00  1.2560800000e+00  3.7402100000e+00  7.3835000000e-01 -2.8580000000e-02  4.5670600000e+00  2.6467000000e-01  6.1790000000e-02  3.1183200000e+00  7.9030000000e-02 -3.3643000000e-01 -1.2813300000e+00 -1.1152100000e+00  2.2003700000e+00 -1.0130300000e+00 -2.0352000000e-01  2.3146700000e+00 -4.8364000000e-01 -1.6212800000e+00  2.3547100000e+00 -1.9994600000e+00 -1.9373900000e+00 -2.4805000000e-01 -1.8575900000e+00 -1.7456400000e+00  6.7895000000e-01 -2.8598800000e+00 -1.5650900000e+00 -4.4118000000e-01 -4.0109200000e+00 -3.6277000000e-01 -1.0554100000e+00 -3.5304200000e+00  1.0752000000e-01 -1.7367100000e+00 -4.0393300000e+00  2.4651000000e-01 -3.1770000000e-01
ENERGY -9.171711351506e+02
EMD0 -3.369646420000e+02
FORCES  -5.8810000000e-04 -9.5257000000e-03  1.4432500000e-02 -1.0795000000e-03  9.4023000000e-03 -2.0349600000e-02 -4.3001000000e-03  2.2530000000e-04  3.3013000000e-03  4.9810000000e-04  1.0326000000e-03  1.0796200000e-02 -1.5975000000e-03 -2.0007000000e-03 -7.7134000000e-03  8.1527000000e-03  7.0530000000e-03 -1.9597000000e-03 -4.9846000000e-03 -4.2521000000e-03  9.9321000000e-03  9.0732000000e-03  4.2192000000e-03 -4.5156000000e-03 -1.0611900000e-02 -9.2060000000e-04  2.3370000000e-04  8.8000000000e-04 -1.5190000000e-04 -9.7423000000e-03 -2.5319000000e-03  1.8715000000e-03  2.0417100000e-02  5.1520000000e-04 -1.4391000000e-03 -6.6743000000e-03 -9.7370000000e-04  8.1063000000e-03  2.3542000000e-03  2.1869000000e-03 -1.3885900000e-02 -1.0568900000e-02 -3.2488000000e-03  5.6373000000e-03  3.5480000000e-04  6.3113000000e-03 -8.5199000000e-03 -7.5492000000e-03  4.8530000000e-03 -5.1073000000e-03 -1.6275000000e-03 -1.7256600000e-02  1.3940000000e-02 -1.1689000000e-03 -2.8599000000e-03 -6.7941000000e-03 -3.6734000000e-03  6.0983000000e-03 -3.4327000000e-03  3.5898000000e-03 -1.9521000000e-03  5.7193000000e-03  7.2452000000e-03 -3.1988000000e-03 -2.6641000000e-03 -4.4958000000e-03  1.9114000000e-03  7.4926000000e-03 -1.3823000000e-03  9.0540000000e-04 -4.3055000000e-03  4.6966000000e-03  6.9830000000e-04  6.0850000000e-04 -3.9408000000e-03 -4.0843000000e-03 -4.3308000000e-03  2.8450000000e-04  8.0320000000e-03  3.6649000000e-03  3.2817000000e-03  5.1134000000e-03  3.3069000000e-03 -2.4214000000e-03  9.1420000000e-04 -8.7267000000e-03  1.5531000000e-03 -2.3484000000e-03  6.1542000000e-03 -6.2407000000e-03 -5.6281000000e-03  6.1683000000e-03  1.1477000000e-02 -8.0846000000e-03 -3.3970000000e-03 -8.5618000000e-03  1.5178800000e-02 -8.8410000000e-04  5.4781000000e-03  1.9586000000e-03  2.9639000000e-03  1.0170000000e-02 -1.2630000000e-04 -2.9730000000e-04  5.2388000000e-03  2.1743000000e-03 -6.9308000000e-03 -1.2251000000e-02

JOB 248
COORDS  -7.6358000000e-01 -9.2990000000e-01 -1.5646100000e+00 -1.0777700000e+00 -4.1278000000e-01 -8.2292000000e-01 -9.1782000000e-01 -3.7318000000e-01 -2.3278200000e+00  1.9085400000e+00 -8.6770000000e-02 -1.9861600000e+00  1.7972100000e+00  7.9716000000e-01 -1.6361300000e+00  1.0314600000e+00 -4.6896000000e-01 -1.9562600000e+00  1.3729500000e+00  2.3799600000e+00 -1.1638200000e+00  1.5766300000e+00  2.3625200000e+00 -2.2870000000e-01  4.2580000000e-01  2.5132700000e+00 -1.2006800000e+00  4.9978000000e-01 -4.0683000000e-01  3.6074300000e+00  2.6422000000e-01 -9.1177000000e-01  4.3857400000e+00  1.0121900000e+00 -1.0139400000e+00  3.0734900000e+00 -5.2336000000e-01  6.4986000000e-01 -3.9469200000e+00  3.3340000000e-02  1.2713100000e+00 -3.4777400000e+00  5.0140000000e-02  2.6824000000e-01 -4.6115200000e+00  1.9677400000e+00  1.8075900000e+00  1.5371600000e+00  1.8289600000e+00  8.6923000000e-01  1.4089000000e+00  2.7292300000e+00  1.8608300000e+00  2.1146900000e+00  2.7730100000e+00 -1.1913100000e+00  1.8544500000e+00  3.3875900000e+00 -1.4219700000e+00  2.5510900000e+00  3.2564800000e+00 -1.3536500000e+00  1.0444300000e+00 -5.9898900000e+00 -1.9168400000e+00 -1.1921800000e+00 -6.8674200000e+00 -1.7520700000e+00 -8.4718000000e-01 -5.9874600000e+00 -1.4969600000e+00 -2.0523700000e+00  4.0980000000e+00 -9.6418000000e-01 -5.2012000000e-01  4.4613800000e+00 -1.6910200000e+00 -1.0259800000e+00  3.4689400000e+00 -5.5101000000e-01 -1.1115600000e+00 -4.4202000000e-01  2.1858400000e+00  2.7838300000e+00  3.8110000000e-02  1.4204400000e+00  3.0998700000e+00  6.4990000000e-02  2.4938400000e+00  2.0326300000e+00 -1.6383400000e+00  4.0352000000e-01  6.6175000000e-01 -1.4457100000e+00  1.0320100000e+00  1.3575400000e+00 -2.5367700000e+00  1.2209000000e-01  8.3454000000e-01 -3.2657800000e+00 -1.9086500000e+00 -2.9460000000e-02 -4.0185700000e+00 -1.8758800000e+00 -6.1977000000e-01 -2.5147400000e+00 -2.0497000000e+00 -6.0590000000e-01
ENERGY -9.171682471997e+02
EMD0 -3.096106460000e+02
FORCES  -3.6459000000e-03  1.3865000000e-03  7.2184000000e-03 -6.4360000000e-04 -4.2882000000e-03 -1.9571800000e-02  7.1887000000e-03  3.1004000000e-03  1.5549400000e-02 -1.4401500000e-02  4.9622000000e-03  7.3733000000e-03 -3.4310000000e-04 -1.4359500000e-02  8.5750000000e-04  6.8031000000e-03  1.6185900000e-02 -7.9518000000e-03  8.5588000000e-03 -3.3309000000e-03  5.0365000000e-03 -1.0508300000e-02 -2.1869000000e-03 -1.4731900000e-02  3.6202000000e-03 -2.4725000000e-03  2.1755000000e-03 -2.0010000000e-03  2.4081000000e-03 -5.7562000000e-03  5.0185000000e-03 -4.3148000000e-03 -3.4523000000e-03 -5.5846000000e-03 -8.7300000000e-04  1.3158300000e-02  8.9780000000e-04 -2.4805000000e-03 -2.8704000000e-03 -3.2453000000e-03 -4.2636000000e-03  2.1230000000e-04  9.1100000000e-05  4.6002000000e-03  1.3668000000e-03 -5.7450000000e-04 -1.4910000000e-03  7.3337000000e-03 -1.3675000000e-03  1.1619300000e-02 -1.6338000000e-03 -9.7030000000e-04 -3.6329000000e-03  9.8800000000e-05  7.3099000000e-03 -6.3360000000e-04 -1.8520700000e-02  2.1890000000e-04 -1.9557000000e-03 -4.1794000000e-03 -4.0341000000e-03 -3.8113000000e-03  2.1613600000e-02 -1.6630000000e-04 -3.7827000000e-03  6.0913000000e-03  6.0600000000e-05  2.5068000000e-03 -7.2942000000e-03 -2.0980000000e-03  1.3480000000e-04  4.3199000000e-03 -1.1546200000e-02  9.6639000000e-03 -7.1904000000e-03 -2.9846000000e-03  1.3970000000e-03 -8.5410000000e-04  1.8168900000e-02 -5.0585000000e-03  7.9798000000e-03  1.4700800000e-02 -2.5058000000e-03  9.5038000000e-03 -2.3565000000e-03  9.2927000000e-03 -6.9208000000e-03 -7.1548000000e-03 -4.4678000000e-03 -4.3754000000e-03  5.2136000000e-03 -5.6381000000e-03  3.5686000000e-03 -9.8246000000e-03 -6.9105000000e-03 -9.9179000000e-03  3.9325000000e-03  1.2708100000e-02  4.5095000000e-03 -1.0526000000e-03 -4.6471000000e-03  2.4411000000e-03  1.3045900000e-02  2.2711000000e-03 -4.8511000000e-03 -1.0325700000e-02  8.6780000000e-04 -3.3600000000e-04

JOB 249
COORDS  -4.9597000000e-01 -3.4138000000e-01 -1.4893700000e+00 -7.4433000000e-01 -2.3933000000e-01 -5.7060000000e-01 -7.7823000000e-01  4.7280000000e-01 -1.9061300000e+00  8.7657000000e-01 -2.3792200000e+00 -2.3883400000e+00  7.7086000000e-01 -2.1578100000e+00 -3.3135600000e+00  3.6121000000e-01 -1.7200600000e+00 -1.9234300000e+00 -1.5954000000e+00  2.5591400000e+00  9.7550000000e-02 -1.7055700000e+00  1.6936100000e+00  4.9119000000e-01 -8.7227000000e-01  2.9540700000e+00  5.8473000000e-01  4.5315000000e-01 -1.7534500000e+00  1.7224700000e+00  7.1100000000e-01 -2.5042000000e+00  2.2573700000e+00  8.7050000000e-01 -1.9079300000e+00  8.7501000000e-01 -8.3815000000e-01  2.0453700000e+00 -2.4117600000e+00 -1.0292900000e+00  2.2783900000e+00 -1.5032400000e+00 -1.1076700000e+00  2.8118000000e+00 -2.9178900000e+00  2.8919300000e+00  2.9613800000e+00  2.4452900000e+00  2.6728500000e+00  2.0329600000e+00  2.3660800000e+00  3.7790500000e+00  2.9688000000e+00  2.8047200000e+00  2.4322500000e+00  2.5940000000e-02  2.1253000000e+00  1.7129400000e+00 -5.7319000000e-01  1.9256200000e+00  3.2231600000e+00 -4.6873000000e-01  1.9108200000e+00 -2.2150200000e+00 -2.6889300000e+00 -2.0447500000e+00 -1.6696900000e+00 -1.9206400000e+00 -1.8757000000e+00 -1.6499900000e+00 -3.2793100000e+00 -2.5431700000e+00  2.3592100000e+00 -2.5487200000e+00 -1.7406000000e-01  3.0470700000e+00 -3.2137100000e+00 -2.0349000000e-01  2.0095300000e+00 -2.5255700000e+00 -1.0648000000e+00  9.0837000000e-01  4.2545200000e+00  6.5299000000e-01  1.4548400000e+00  4.3059600000e+00 -1.3120000000e-01  1.4261400000e+00  3.7410400000e+00  1.2730500000e+00 -1.5960200000e+00 -3.1100000000e-02  1.1744600000e+00 -2.3212000000e+00 -6.2226000000e-01  9.7230000000e-01 -9.6456000000e-01 -5.7725000000e-01  1.6426800000e+00 -3.3142500000e+00 -1.9026000000e+00  3.3757000000e-01 -3.9966200000e+00 -2.4954100000e+00  6.5248000000e-01 -3.0698000000e+00 -2.2517600000e+00 -5.1950000000e-01
ENERGY -9.171888715670e+02
EMD0 -3.590142920000e+02
FORCES   4.8527000000e-03  2.1442900000e-02 -9.1885000000e-03  3.3907000000e-03 -1.2567000000e-03 -1.6337300000e-02 -2.8128000000e-03 -9.0316000000e-03  2.0962000000e-02 -3.3730000000e-03  1.7057300000e-02  8.2886000000e-03 -6.1915000000e-03  3.5530000000e-04  1.8988000000e-03  5.5836000000e-03 -1.8812300000e-02 -3.7031000000e-03 -2.8310000000e-03 -1.1397000000e-03  5.3773000000e-03  5.2712000000e-03  1.1862700000e-02 -8.2877000000e-03 -6.7002000000e-03 -1.3272100000e-02  2.1460000000e-04  2.1547000000e-03  4.6400000000e-04 -4.7297000000e-03  3.2370000000e-03  1.1667000000e-03 -3.4070000000e-03 -5.5575000000e-03  8.2967000000e-03  1.1458400000e-02 -3.6764000000e-03 -4.9096000000e-03  1.6946100000e-02  6.6289000000e-03 -1.0607200000e-02 -2.3366000000e-02  7.2710000000e-04  4.2318000000e-03  5.9296000000e-03 -9.2830000000e-04 -1.0328000000e-03  1.8554000000e-03  6.5521000000e-03  1.4350800000e-02  1.3543000000e-03 -5.5270000000e-04 -6.4950000000e-03 -2.9540000000e-04 -1.6165800000e-02 -9.7267000000e-03 -2.2018000000e-03  1.2844400000e-02 -2.3640000000e-04 -4.3133000000e-03 -3.4170000000e-03 -2.3492000000e-03  1.5229000000e-03  2.4011000000e-03  2.7920000000e-03  1.3038000000e-03 -5.1119000000e-03 -1.4284200000e-02  2.2122000000e-03  1.4044000000e-03  5.5346000000e-03 -1.6630000000e-03 -6.2772000000e-03  1.7774000000e-03 -1.1224900000e-02 -9.2160000000e-04  6.9870000000e-04 -5.8831000000e-03  6.2779000000e-03 -2.5584000000e-03  1.6757500000e-02  6.3621000000e-03  5.0157000000e-03  3.9411000000e-03  1.7246000000e-03 -1.4582000000e-03  2.9197000000e-03 -9.0607000000e-03 -1.6379000000e-03 -1.0753100000e-02 -6.8332000000e-03 -1.0038600000e-02  7.1045000000e-03  1.5279000000e-02  7.1131000000e-03  2.2401000000e-03 -8.3601000000e-03  1.9159000000e-03 -6.1800000000e-03  8.0841000000e-03  2.7945000000e-03 -6.4444000000e-03  1.2671000000e-03 -3.5038000000e-03 -5.6660000000e-03 -5.2717000000e-03  5.4803000000e-03  1.1357400000e-02

JOB 250
COORDS   4.6332000000e-01 -3.8355000000e-01 -1.4229400000e+00 -4.1582000000e-01 -7.3372000000e-01 -1.2790200000e+00  4.3188000000e-01  5.0109000000e-01 -1.0587200000e+00  2.8056200000e+00 -1.9579400000e+00 -1.6541100000e+00  3.1168100000e+00 -2.0204500000e+00 -2.5571500000e+00  1.9495300000e+00 -1.5355000000e+00 -1.7239700000e+00 -7.4424000000e-01  2.3362100000e+00 -4.6906000000e-01 -9.5228000000e-01  1.7618700000e+00  2.6787000000e-01  1.2226000000e-01  2.6868200000e+00 -2.6291000000e-01  1.7049000000e+00 -9.5907000000e-01  2.1236700000e+00  2.5446200000e+00 -6.2133000000e-01  1.8121400000e+00  1.8621300000e+00 -1.8911800000e+00  2.2742900000e+00 -3.6308000000e+00  1.9072100000e+00 -1.5165500000e+00 -2.8855300000e+00  2.3516400000e+00 -1.1124700000e+00 -4.1360900000e+00  2.6096900000e+00 -1.9257300000e+00  6.0834000000e-01  1.3901800000e+00  2.5992100000e+00 -1.8298000000e-01  1.0784900000e+00  2.1600100000e+00  1.2033200000e+00  6.4055000000e-01  2.5822600000e+00  3.1905400000e+00  4.0084000000e-01 -1.1634000000e-01  2.8544700000e+00  1.1786900000e+00 -5.6158000000e-01  3.1710300000e+00 -2.8497000000e-01 -7.8381000000e-01 -4.1494000000e+00 -6.1074000000e-01 -2.3543400000e+00 -5.0117700000e+00 -6.0232000000e-01 -1.9390400000e+00 -3.7427600000e+00  2.1113000000e-01 -2.0797400000e+00  2.7869400000e+00 -3.2863100000e+00  1.1198600000e+00  2.8511900000e+00 -4.1350700000e+00  6.8201000000e-01  2.7905700000e+00 -2.6476000000e+00  4.0693000000e-01  1.7966900000e+00  2.7204500000e+00  4.2964000000e-01  1.2636100000e+00  2.2871400000e+00  1.0961900000e+00  2.0632100000e+00  3.5457600000e+00  8.3467000000e-01 -1.3035900000e+00  2.0340000000e-02  1.2067000000e+00 -2.1124300000e+00 -4.7201000000e-01  1.0666600000e+00 -6.6284000000e-01 -6.4046000000e-01  1.4694000000e+00 -3.4323500000e+00 -1.5640500000e+00  1.3067000000e-01 -4.0120700000e+00 -2.3245100000e+00  1.7367000000e-01 -3.6200100000e+00 -1.1670000000e+00 -7.1984000000e-01
ENERGY -9.171717328063e+02
EMD0 -3.275105380000e+02
FORCES  -1.6308000000e-03  7.4200000000e-03  4.1220000000e-03  1.9405000000e-03  2.0123000000e-03  3.2880000000e-04  9.9300000000e-05 -6.3806000000e-03 -8.2180000000e-04 -4.7802000000e-03  8.4810000000e-04  2.8451000000e-03 -6.5778000000e-03  4.0140000000e-03 -2.6810000000e-04  1.8823000000e-02 -6.3534000000e-03 -5.1274000000e-03  1.1940500000e-02  6.2913000000e-03  3.2260000000e-03  7.5926000000e-03  8.8793000000e-03 -3.8405000000e-03 -1.0116000000e-02 -1.2098600000e-02  7.3391000000e-03 -2.0830000000e-04  9.0810000000e-04 -3.2700000000e-03 -4.3636000000e-03 -5.9128000000e-03  1.2338000000e-02  1.5591000000e-03  9.0039000000e-03 -2.0019000000e-03  3.3576000000e-03 -5.7393000000e-03 -1.0022000000e-03 -1.4000500000e-02  2.4567000000e-03 -3.4935000000e-03  4.1377000000e-03  2.5119000000e-03  3.5311000000e-03 -2.2050000000e-03 -2.2154900000e-02  8.4087000000e-03  1.0029300000e-02  9.2240000000e-04 -6.9630000000e-03 -9.9780000000e-04  9.0863000000e-03 -6.3768000000e-03 -2.0097000000e-03  5.9600000000e-04  1.1063000000e-03  1.5511000000e-03 -1.0529500000e-02 -1.0412400000e-02 -5.3767000000e-03  1.1606500000e-02 -1.5640000000e-04  2.5860000000e-03  1.4313500000e-02 -7.2976000000e-03  7.0773000000e-03 -1.7730000000e-03  6.2352000000e-03 -3.9836000000e-03 -1.9532400000e-02  5.5873000000e-03  1.4687000000e-03  1.4071000000e-03 -1.6387000000e-03 -6.6500000000e-05  2.6231000000e-03 -2.9332000000e-03 -2.1453000000e-03 -4.5863000000e-03  8.6921000000e-03  1.1750000000e-03 -1.3253600000e-02  1.2572200000e-02 -3.1761000000e-03  1.4256900000e-02 -2.4237800000e-02 -4.0915000000e-03 -1.7849000000e-03  1.9487000000e-03 -5.4959000000e-03  1.4670000000e-04  4.5500000000e-04  1.5480700000e-02  2.7772000000e-03  4.0736000000e-03 -9.5555000000e-03  4.1438000000e-03  1.6554000000e-03 -1.2862000000e-03  2.5283000000e-03 -1.3211700000e-02 -3.0486000000e-03  2.9754000000e-03 -5.7783000000e-03 -3.7028000000e-03 -1.6292000000e-03  1.4366700000e-02

JOB 251
COORDS   3.9881000000e-01 -1.6220000000e+00 -1.9980700000e+00 -4.7789000000e-01 -1.8656200000e+00 -1.7009400000e+00  4.5210000000e-01 -6.7928000000e-01 -1.8409900000e+00  2.9299200000e+00 -2.3663000000e-01 -2.4888800000e+00  2.8782400000e+00 -1.1478000000e+00 -2.7775300000e+00  3.8293300000e+00 -1.3408000000e-01 -2.1777900000e+00  1.4046000000e-01  1.1034000000e+00 -9.3238000000e-01 -1.3737000000e-01  5.5745000000e-01 -1.9686000000e-01  6.2360000000e-01  1.8237400000e+00 -5.2751000000e-01  1.3269900000e+00 -7.8116000000e-01  2.5419900000e+00  1.9735500000e+00 -5.1216000000e-01  1.8894400000e+00  1.6641000000e+00 -1.6078300000e+00  2.8872500000e+00 -2.4157800000e+00  2.3008300000e+00 -6.0237000000e-01 -1.5123700000e+00  1.9844900000e+00 -5.9767000000e-01 -2.6142100000e+00  2.4465800000e+00 -1.5273600000e+00 -1.1510100000e+00  2.4819800000e+00  1.7748900000e+00 -1.0682000000e+00  1.5399400000e+00  1.6267900000e+00 -1.7563700000e+00  2.7793800000e+00  1.0956800000e+00  2.9259200000e+00 -1.8630000000e-02  2.8628000000e-01  3.0993700000e+00  9.1893000000e-01  2.0188000000e-01  2.5049000000e+00 -2.6002000000e-01 -5.3877000000e-01 -4.1783800000e+00 -4.8631000000e-01 -1.2018900000e+00 -5.0754200000e+00 -5.2848000000e-01 -1.5332100000e+00 -4.1567800000e+00  3.0798000000e-01 -6.6815000000e-01  1.4563900000e+00 -3.3699100000e+00  2.4742000000e-01  1.1246600000e+00 -2.7689600000e+00 -4.1969000000e-01  1.9553300000e+00 -4.0223700000e+00 -2.4410000000e-01  1.6410700000e+00  2.9345000000e+00  1.1869800000e+00  7.0539000000e-01  3.0355200000e+00  1.3616800000e+00  2.0638200000e+00  3.1302100000e+00  2.0231700000e+00 -1.0423000000e+00 -2.5016000000e-01  1.5364800000e+00 -1.2792500000e+00 -1.0666400000e+00  1.0966600000e+00 -2.1323000000e-01 -4.4484000000e-01  1.9734900000e+00 -2.0000100000e+00 -1.9964500000e+00 -2.7017000000e-01 -2.2831600000e+00 -2.8938100000e+00 -9.4630000000e-02 -2.7957600000e+00 -1.5441700000e+00 -5.5029000000e-01
ENERGY -9.171771346892e+02
EMD0 -3.267309400000e+02
FORCES  -5.3066000000e-03  8.0047000000e-03 -4.6962000000e-03  9.7937000000e-03  3.2772000000e-03 -2.3675000000e-03 -5.4862000000e-03 -1.1118600000e-02  3.5771000000e-03 -2.8966000000e-03  2.7156000000e-03 -2.8220000000e-03  7.6444000000e-03  2.9654000000e-03  3.9165000000e-03 -4.6052000000e-03 -4.2995000000e-03  5.8940000000e-04  6.7735000000e-03 -3.3956000000e-03  3.0980000000e-03  3.6267000000e-03  1.0191700000e-02 -1.4005200000e-02 -1.2367000000e-02 -2.5027000000e-03  5.2620000000e-04 -4.0119000000e-03  3.3811000000e-03 -9.7575000000e-03 -7.4989000000e-03 -7.0908000000e-03  1.4779200000e-02  4.8979000000e-03  3.5125000000e-03 -9.8850000000e-04  1.2254900000e-02 -2.3477000000e-03  3.1935000000e-03 -9.6274000000e-03  9.6726000000e-03  8.2827000000e-03  2.2889000000e-03 -2.8493000000e-03  1.2787000000e-03 -1.4111100000e-02 -1.4764500000e-02  3.2548000000e-03  6.1919000000e-03  1.5710600000e-02 -8.5900000000e-03  8.5905000000e-03 -6.7140000000e-03 -2.7422000000e-03 -2.8060000000e-03 -6.4360000000e-04 -9.7477000000e-03  2.5871000000e-03 -5.3636000000e-03 -4.8667000000e-03  4.4995000000e-03  3.4784000000e-03  7.7467000000e-03  3.3680000000e-03 -2.0535000000e-03 -2.7290000000e-03  5.6870000000e-04  6.4910000000e-03  3.5629000000e-03 -8.3263000000e-03 -6.7207000000e-03 -3.8398000000e-03 -1.8233000000e-03  4.9913000000e-03 -2.4891000000e-03  4.3077000000e-03 -1.0716900000e-02  6.5401000000e-03 -2.0603000000e-03  2.6912000000e-03 -1.9781000000e-03 -8.9233000000e-03 -5.1140000000e-04  4.9906000000e-03  1.8086900000e-02  2.1717000000e-03 -5.3070000000e-03 -3.8019000000e-03  1.7805000000e-03 -2.6400000000e-05  1.6748000000e-03 -1.1291100000e-02  1.0157100000e-02  1.0654400000e-02  4.5055000000e-03  9.2444000000e-03 -1.5217900000e-02  2.6821000000e-03 -1.4647200000e-02 -5.0932000000e-03  1.1124600000e-02  1.0793000000e-03 -4.4592000000e-03  4.2194000000e-03 -1.9622000000e-03  1.0612600000e-02 -1.1183800000e-02  7.7450000000e-03

JOB 252
COORDS  -4.9213000000e-01 -4.2295300000e+00 -8.2194000000e-01 -1.1641900000e+00 -4.8292000000e+00 -4.9795000000e-01 -9.8324000000e-01 -3.4957100000e+00 -1.1914500000e+00  4.7169000000e-01 -1.4439500000e+00 -3.6699900000e+00 -3.2582000000e-01 -1.8378600000e+00 -3.3163900000e+00  6.4040000000e-01 -1.9280100000e+00 -4.4783500000e+00  4.2690000000e-01  7.6513000000e-01 -2.0033100000e+00  4.9456000000e-01  8.1700000000e-02 -2.6700800000e+00  1.2858500000e+00  1.1875400000e+00 -2.0045900000e+00  1.5402300000e+00 -1.1758000000e+00  2.5360000000e+00  1.7514300000e+00 -2.4988000000e-01  2.6555800000e+00  2.3108900000e+00 -1.5438500000e+00  2.1037400000e+00 -1.5782300000e+00  2.4842900000e+00 -9.1646000000e-01 -9.9336000000e-01  1.8077300000e+00 -1.2576700000e+00 -1.0052300000e+00  3.0690200000e+00 -4.2048000000e-01 -1.2463400000e+00  2.3050900000e+00  2.0855900000e+00 -1.1055800000e+00  1.3644600000e+00  1.9777700000e+00 -1.9045100000e+00  2.5263300000e+00  1.4267200000e+00  2.9924200000e+00  1.4640200000e+00  2.2768500000e+00  2.2584800000e+00  2.0783500000e+00  2.2895500000e+00  3.5375100000e+00  1.7259800000e+00  3.0188000000e+00 -3.2906100000e+00  3.4352000000e-01 -1.0661500000e+00 -3.8717100000e+00  6.3690000000e-01 -1.7679300000e+00 -2.7251000000e+00  1.0960200000e+00 -8.9249000000e-01  1.7558100000e+00 -1.9142200000e+00 -6.7985000000e-01  1.1047100000e+00 -2.6146200000e+00 -6.3820000000e-01  2.4120900000e+00 -2.2331600000e+00 -1.2993700000e+00  1.1407100000e+00  3.4013100000e+00  2.8156100000e+00  2.2701000000e-01  3.1659300000e+00  2.6544200000e+00  1.1233200000e+00  3.8754400000e+00  3.6469500000e+00 -6.7950000000e-02 -1.4342000000e-01  7.1656000000e-01  3.0708000000e-01 -1.4370000000e-02 -1.5461000000e-01  6.0173000000e-01 -6.3086000000e-01  1.1963200000e+00 -1.6745700000e+00 -1.8749400000e+00 -1.1955000000e+00 -1.2481100000e+00 -1.7400100000e+00 -3.4924000000e-01 -2.3645300000e+00 -1.2121300000e+00 -1.2249300000e+00
ENERGY -9.171766874084e+02
EMD0 -3.263160990000e+02
FORCES  -6.4390000000e-03  6.8178000000e-03  1.1250000000e-04 -3.3104000000e-03  3.0869000000e-03 -3.6772000000e-03  8.3649000000e-03 -8.5253000000e-03  6.4551000000e-03  2.6780000000e-03  4.2602000000e-03  3.8334000000e-03  5.5251000000e-03  1.7250000000e-04 -1.1834200000e-02 -5.2725000000e-03 -4.0287000000e-03  3.5531000000e-03 -2.2221000000e-03 -1.2486100000e-02 -7.5183000000e-03  3.3334000000e-03  1.3007800000e-02  6.8736000000e-03 -1.3720000000e-03 -2.7909000000e-03 -2.9571000000e-03 -1.1869000000e-03  3.8200000000e-03  3.1180000000e-04 -9.3057000000e-03 -9.5786000000e-03 -5.7270000000e-03 -1.7247000000e-03  3.6434000000e-03  1.7747000000e-03  5.4522000000e-03 -4.6488000000e-03 -3.4377000000e-03 -1.3882300000e-02  8.1040000000e-03  1.0123500000e-02  1.8040000000e-04 -2.5323000000e-03 -1.7851000000e-03  4.2065000000e-03 -6.0469000000e-03 -4.2711000000e-03 -8.3057000000e-03  1.0052300000e-02  5.5083000000e-03  2.1784000000e-03 -1.3013000000e-03  8.8360000000e-04 -4.5885000000e-03  1.4372400000e-02 -1.3573000000e-03  8.2344000000e-03 -1.2478800000e-02 -3.5780000000e-04 -2.5627000000e-03  1.0778000000e-03  2.7000000000e-06  7.3034000000e-03  7.3427000000e-03  5.9887000000e-03  3.2286000000e-03  2.3269000000e-03  7.1870000000e-04 -4.5599000000e-03 -8.9455000000e-03 -8.3069000000e-03 -4.4094000000e-03  5.1500000000e-05 -1.6933000000e-03  6.1928000000e-03  5.8851000000e-03 -3.4815000000e-03 -1.7521000000e-03 -2.7380000000e-03  2.1017000000e-03 -5.6392000000e-03 -7.3370000000e-03 -6.7379000000e-03  1.5034800000e-02  8.8504000000e-03  1.0386800000e-02 -6.2240000000e-03 -1.1793000000e-03 -1.3150000000e-03  1.5702600000e-02 -6.5651000000e-03  5.8477000000e-03  1.7870000000e-04 -4.3146000000e-03  1.1375700000e-02 -1.9945000000e-03  1.1286200000e-02 -1.1766200000e-02 -7.8026000000e-03  1.2231500000e-02  5.3652000000e-03 -5.8274000000e-03 -9.0633000000e-03 -7.5440000000e-03  1.0587600000e-02 -1.1828600000e-02  2.5508000000e-03

JOB 253
COORDS   1.1175000000e-01 -3.5895900000e+00 -1.6580600000e+00  8.1130000000e-02 -4.4377600000e+00 -1.2154600000e+00 -6.4941000000e-01 -3.1161100000e+00 -1.3223800000e+00 -1.3742800000e+00 -1.2093900000e+00 -3.7464100000e+00 -1.7649100000e+00 -2.0655000000e+00 -3.9216400000e+00 -1.9090500000e+00 -8.4101000000e-01 -3.0431600000e+00  4.0379000000e-01  8.8877000000e-01 -3.1104300000e+00 -5.3930000000e-02  1.9468000000e-01 -3.5847400000e+00  1.2564200000e+00  9.5161000000e-01 -3.5408900000e+00  2.5566200000e+00 -1.8374900000e+00  3.8109300000e+00  2.1298000000e+00 -9.9497000000e-01  3.9665500000e+00  3.1029500000e+00 -1.6907400000e+00  3.0387700000e+00 -1.1543100000e+00  2.2481400000e+00 -1.4926400000e+00 -5.4527000000e-01  1.9179500000e+00 -2.1531400000e+00 -1.8385400000e+00  2.6891200000e+00 -1.9962200000e+00  7.3510000000e-01  2.6791100000e+00  5.0663000000e-01  9.0020000000e-01  1.7993000000e+00  8.4562000000e-01 -2.4900000000e-02  2.5768800000e+00 -6.6230000000e-02  1.6522500000e+00  1.0980300000e+00  3.8560000000e+00  2.2219000000e+00  1.8652600000e+00  3.8004000000e+00  8.8311000000e-01  1.4045100000e+00  4.3363500000e+00 -2.1418400000e+00 -2.1794000000e-01 -1.5252200000e+00 -1.8867600000e+00  6.9926000000e-01 -1.4256700000e+00 -1.3697500000e+00 -7.1287000000e-01 -1.2510900000e+00  3.3562000000e-01 -1.0136100000e+00 -7.8781000000e-01  5.8258000000e-01 -1.8614200000e+00 -1.1572400000e+00  6.6992000000e-01 -3.7213000000e-01 -1.4146900000e+00  1.8473700000e+00  3.9029600000e+00  2.8254400000e+00  1.4927700000e+00  3.5556200000e+00  2.0070000000e+00  1.4779700000e+00  4.7834700000e+00  2.8924700000e+00 -8.4977000000e-01 -2.4104000000e-01  1.4577200000e+00 -4.2190000000e-01 -6.1446000000e-01  6.8719000000e-01 -2.3751000000e-01 -4.0460000000e-01  2.1751000000e+00 -2.0737100000e+00 -2.7444200000e+00 -2.0260000000e-02 -1.8263900000e+00 -2.0662800000e+00  6.0838000000e-01 -3.0280300000e+00 -2.6892100000e+00 -6.9780000000e-02
ENERGY -9.171660117517e+02
EMD0 -3.128963630000e+02
FORCES  -5.4879000000e-03 -1.5390000000e-03  2.6204000000e-03 -3.5190000000e-03  1.3535000000e-03 -7.7170000000e-04  1.8144300000e-02  3.5529000000e-03 -3.2820000000e-03 -6.9793000000e-03  8.2493000000e-03  1.7319000000e-02 -7.1784000000e-03  2.9993000000e-03  6.4480000000e-03  1.0365600000e-02 -1.3116700000e-02 -1.4950300000e-02 -1.3564500000e-02  2.6986000000e-03 -2.6580000000e-04  1.4783900000e-02  1.4021500000e-02  5.3328000000e-03 -3.4598000000e-03 -7.0261000000e-03 -1.6131000000e-03  2.6570000000e-04  2.6442000000e-03  3.1091000000e-03  2.1046000000e-03 -9.2887000000e-03 -4.1010000000e-03 -2.3390000000e-03  2.2666000000e-03  1.1314000000e-03  1.1173800000e-02 -7.9348000000e-03 -2.5464000000e-03 -1.6302400000e-02  3.9439000000e-03  9.3217000000e-03  3.1666000000e-03 -7.7154000000e-03 -4.8944000000e-03 -1.1418100000e-02  3.6787000000e-03 -6.1923000000e-03  5.3860000000e-04  3.8489000000e-03 -4.1865000000e-03  1.1140000000e-02 -6.4963000000e-03  5.6586000000e-03  2.1499000000e-03  8.2353000000e-03 -1.2837000000e-03 -2.7545000000e-03 -6.5230000000e-03  4.2460000000e-03  2.6477000000e-03 -2.0610000000e-04  4.6640000000e-04  1.6714900000e-02  8.6958000000e-03  4.8307000000e-03  2.1449000000e-03 -1.1073100000e-02 -7.2150000000e-03 -3.3092000000e-03  4.9339000000e-03 -9.2890000000e-03 -6.6016000000e-03 -3.5051000000e-03  3.7967000000e-03 -6.6623000000e-03  1.5437800000e-02 -8.9880000000e-04 -1.6569000000e-03 -1.1855700000e-02  3.4416000000e-03 -2.3131000000e-03 -2.3436000000e-03 -8.1600000000e-03  5.2913000000e-03  5.6978000000e-03  1.2542000000e-02 -1.8573000000e-03 -1.5395000000e-03 -3.8885000000e-03  4.3303000000e-03  2.6398000000e-03 -8.4998000000e-03 -7.5951000000e-03 -1.9963000000e-03  9.6123000000e-03  1.8520000000e-04 -1.7777000000e-03 -6.2991000000e-03 -8.1620000000e-04  4.7079000000e-03  1.5091000000e-03 -2.9332000000e-03 -6.3078000000e-03 -7.5993000000e-03  1.6006000000e-03  6.3900000000e-04  4.5509000000e-03

JOB 254
COORDS   1.9272800000e+00 -3.4864600000e+00 -3.5243700000e+00  2.8654800000e+00 -3.3227000000e+00 -3.6202800000e+00  1.8432500000e+00 -3.9063700000e+00 -2.6683100000e+00 -1.9476200000e+00 -1.3745000000e-01 -3.2490700000e+00 -2.4852100000e+00 -9.2270000000e-01 -3.3520900000e+00 -2.0980500000e+00  1.3948000000e-01 -2.3452400000e+00 -2.2044800000e+00  2.6992800000e+00 -2.9475800000e+00 -2.3421400000e+00  1.9315900000e+00 -3.5025000000e+00 -2.6434200000e+00  3.4124000000e+00 -3.4112900000e+00  5.7695000000e-01  3.1870000000e-01  6.9465700000e+00  8.8943000000e-01  5.4681000000e-01  6.0710400000e+00  5.2051000000e-01 -6.3681000000e-01  6.9398500000e+00 -9.4519000000e-01  2.6005900000e+00 -3.6364000000e-01 -1.1511400000e+00  2.8552700000e+00 -1.2630600000e+00 -1.2935200000e+00  3.3124900000e+00  1.7311000000e-01  1.0430300000e+00  4.9314000000e-01 -4.3505000000e-01  1.0453700000e+00 -1.1866000000e-01 -1.1712200000e+00  3.0418000000e-01  1.0760600000e+00 -6.0980000000e-01  1.0985400000e+00  1.1923300000e+00  4.4560100000e+00  1.7736200000e+00  1.1936400000e+00  3.7774100000e+00  1.1825200000e+00  2.0465300000e+00  4.8797100000e+00 -2.6216500000e+00  3.0179000000e-01 -5.7515000000e-01 -2.2908700000e+00  1.1787400000e+00 -3.8080000000e-01 -2.2164400000e+00 -2.5950000000e-01  8.5900000000e-02  4.9736000000e-01 -1.3347100000e+00 -2.5627100000e+00  7.9519000000e-01 -2.0231500000e+00 -3.1573400000e+00 -1.9120000000e-01 -8.7994000000e-01 -3.0477900000e+00  2.7017100000e+00  1.4588300000e+00  1.6743500000e+00  2.4676100000e+00  9.5159000000e-01  8.9709000000e-01  3.4260300000e+00  2.0154800000e+00  1.3884700000e+00 -8.8435000000e-01 -3.3124000000e-01  1.7306400000e+00 -6.7140000000e-02 -9.9600000000e-03  1.3496100000e+00 -7.1535000000e-01 -3.5920000000e-01  2.6723900000e+00  7.2032000000e-01 -3.8589700000e+00 -1.0423400000e+00  5.3457000000e-01 -3.9273600000e+00 -1.0583000000e-01  4.6502000000e-01 -2.9657500000e+00 -1.2730400000e+00
ENERGY -9.171747742957e+02
EMD0 -3.248659490000e+02
FORCES  -4.2238000000e-03 -2.4252000000e-03  3.6035000000e-03 -1.1483000000e-03 -3.1085000000e-03  5.2297000000e-03  7.1969000000e-03  8.3027000000e-03 -9.5467000000e-03 -4.2654000000e-03  2.5980000000e-04  1.6528100000e-02  2.2326000000e-03  7.7140000000e-04  2.5591000000e-03  5.2780000000e-03 -1.9790000000e-04 -2.2967500000e-02  1.4611000000e-03 -8.5652000000e-03  1.6290000000e-03 -4.4755000000e-03  1.4022600000e-02 -6.4730000000e-04 -3.7360000000e-04 -5.1846000000e-03 -3.1937000000e-03  1.1497000000e-03  4.6406000000e-03 -9.8844000000e-03 -1.2368000000e-03  6.8290000000e-04  8.5597000000e-03  1.6976000000e-03  1.5606000000e-03 -4.0075000000e-03  3.9252000000e-03 -1.0664000000e-03 -9.5780000000e-04  3.2693000000e-03  7.1170000000e-04  1.5260600000e-02 -3.4613000000e-03  1.3771000000e-03 -7.6315000000e-03 -1.8362000000e-03  1.0637000000e-03 -5.7128000000e-03 -3.2785000000e-03  1.3138400000e-02  7.1275000000e-03  2.2605000000e-03 -1.2646300000e-02 -6.8156000000e-03 -2.6551000000e-03 -4.1723000000e-03 -3.5650000000e-04 -4.6262000000e-03  4.1635000000e-03  1.1529700000e-02  4.6796000000e-03 -6.0030000000e-03  7.9340000000e-04  1.8888000000e-03  3.7917000000e-03  1.2002300000e-02 -3.4164000000e-03 -8.5775000000e-03 -4.4740000000e-03 -3.0519000000e-03  4.1703000000e-03 -8.0772000000e-03  5.7400000000e-04 -8.2500000000e-04 -5.8452000000e-03 -1.6804800000e-02  9.4540000000e-03  4.9849000000e-03  1.3978100000e-02 -9.6249000000e-03 -1.5999000000e-03 -7.1771000000e-03 -2.1374000000e-03 -7.9091000000e-03  1.3943100000e-02  4.7712000000e-03  7.8030000000e-03 -1.1653000000e-03 -3.0370000000e-03 -3.9282000000e-03 -4.3100000000e-05  2.6551000000e-03 -1.2257000000e-03 -6.4348000000e-03 -2.3459000000e-03  1.0845600000e-02  5.3711000000e-03 -6.7870000000e-04 -4.4051000000e-03 -1.1721000000e-03  5.1080000000e-04 -3.4244000000e-03 -2.2117000000e-03  5.8743000000e-03 -1.8577000000e-03  4.1523000000e-03 -1.1326400000e-02  6.0117000000e-03

JOB 255
COORDS   1.1828400000e+00 -2.4571900000e+00 -2.8042400000e+00  1.0633700000e+00 -3.0743500000e+00 -3.5260900000e+00  1.9902800000e+00 -2.7419200000e+00 -2.3762100000e+00 -1.7734400000e+00 -4.2478000000e-01 -2.6396900000e+00 -1.3350700000e+00 -1.2694000000e+00 -2.7430300000e+00 -2.2334800000e+00 -4.9392000000e-01 -1.8031400000e+00 -2.2096200000e+00  2.3715600000e+00 -2.0072200000e+00 -2.8384100000e+00  1.6501900000e+00 -1.9849300000e+00 -1.7882000000e+00  2.2962000000e+00 -2.8633500000e+00  1.2542700000e+00  6.4408000000e-01  3.3311100000e+00  1.9728000000e+00  5.7452000000e-01  2.7025300000e+00  6.4905000000e-01  1.2712300000e+00  2.9353400000e+00 -1.7600800000e+00  2.6760100000e+00  5.6311000000e-01 -2.0354600000e+00  2.5388600000e+00 -3.4330000000e-01 -2.2348700000e+00  3.4588500000e+00  8.4234000000e-01  1.0193700000e+00  1.9209300000e+00  4.4650000000e-02  1.0054500000e+00  1.3835500000e+00 -7.4736000000e-01  1.3202000000e-01  1.8521500000e+00  3.9694000000e-01  3.1530300000e+00  6.8578000000e-01  1.1411900000e+00  2.3930600000e+00  9.5044000000e-01  6.2290000000e-01  3.6667000000e+00  1.4873400000e+00  1.2405200000e+00 -2.7996300000e+00  4.8180000000e-02  7.8300000000e-03 -2.7504200000e+00  8.8233000000e-01  4.7474000000e-01 -2.1075200000e+00 -4.8609000000e-01  3.9739000000e-01  9.5512000000e-01  2.8960000000e-01 -2.0837900000e+00  1.3325500000e+00 -5.7855000000e-01 -2.2255400000e+00  1.1780000000e-02  1.6007000000e-01 -2.1816400000e+00 -1.1882900000e+00 -1.2501700000e+00  4.2622500000e+00 -1.7328300000e+00 -1.1374600000e+00  5.0413600000e+00 -3.8465000000e-01 -7.6903000000e-01  4.4594800000e+00 -1.0342800000e+00 -1.1921600000e+00  1.4573900000e+00 -1.0424000000e-01 -1.3534500000e+00  1.2985000000e+00 -1.1505100000e+00 -1.3594400000e+00  2.3926600000e+00  3.1802200000e+00 -3.2395400000e+00 -1.3009000000e+00  3.7027400000e+00 -2.5239500000e+00 -9.3878000000e-01  3.1146700000e+00 -3.8739000000e+00 -5.8709000000e-01
ENERGY -9.171690630407e+02
EMD0 -3.225303780000e+02
FORCES   1.1073700000e-02 -1.8340000000e-03  9.6705000000e-03  3.9179000000e-03 -3.5983000000e-03  4.3251000000e-03 -6.9968000000e-03  5.5543000000e-03 -1.2218300000e-02 -9.5755000000e-03  3.9322000000e-03  3.1962000000e-03 -5.2730000000e-04  5.7417000000e-03  7.5835000000e-03  9.3727000000e-03 -7.5031000000e-03 -1.3665300000e-02  1.0142900000e-02  3.4420000000e-04  5.8129000000e-03  2.2611000000e-03  5.2166000000e-03  1.2735000000e-03 -6.5982000000e-03 -1.4457000000e-03 -1.1705000000e-03  1.2263900000e-02  1.6896000000e-03 -7.1707000000e-03 -1.3289000000e-02  3.6388000000e-03  6.5884000000e-03  2.7088000000e-03 -1.8199000000e-03  9.0600000000e-05  7.5202000000e-03  3.0801000000e-03 -1.7300900000e-02 -1.0411800000e-02 -4.0165000000e-03  1.7574700000e-02 -4.1846000000e-03 -2.4848000000e-03 -5.3253000000e-03 -3.7960000000e-03  1.3924000000e-03 -1.1719400000e-02 -3.1297000000e-03  5.3589000000e-03  1.8468100000e-02  7.3368000000e-03 -1.0233600000e-02 -5.4024000000e-03 -1.1692800000e-02  8.5238000000e-03 -1.1090600000e-02  1.4372100000e-02 -9.0160000000e-03  6.5521000000e-03 -2.4263000000e-03 -3.7650000000e-04 -4.3250000000e-04  1.3190900000e-02 -3.0813000000e-03  1.9024100000e-02 -1.5384000000e-03 -4.8074000000e-03 -3.6942000000e-03 -6.4260000000e-03  8.2225000000e-03 -1.2440100000e-02 -4.9895000000e-03 -4.3869000000e-03 -5.0552000000e-03 -1.9617000000e-03  4.5191000000e-03  4.8432000000e-03  1.2940100000e-02 -2.4795000000e-03  6.4030000000e-03 -1.4782000000e-03 -1.3358000000e-03 -4.7599000000e-03  6.5625000000e-03  3.7406000000e-03  2.2564000000e-03 -1.0783300000e-02 -4.2030000000e-03  6.2753000000e-03 -1.3780500000e-02  6.7728000000e-03  5.7206000000e-03 -2.0204000000e-03 -2.3738000000e-03  4.2018000000e-03  1.0152100000e-02 -1.9511000000e-03 -1.3554600000e-02 -9.6456000000e-03  1.9800000000e-05 -8.3787000000e-03 -3.0042000000e-03 -5.6754000000e-03  1.9801000000e-03  4.4400000000e-03  4.8753000000e-03  1.5387000000e-03

JOB 256
COORDS   6.1237000000e-01 -1.0610100000e+00 -2.5377000000e+00  7.9872000000e-01 -1.5348800000e+00 -1.7271700000e+00 -3.3812000000e-01 -9.4790000000e-01 -2.5364600000e+00 -1.1754300000e+00  1.3250400000e+00 -2.9390300000e+00 -3.1623000000e-01  1.0466200000e+00 -3.2560100000e+00 -1.1035100000e+00  1.2862500000e+00 -1.9853200000e+00 -3.5871600000e+00  5.8680000000e-02 -3.5185400000e+00 -2.7052800000e+00  2.0747000000e-01 -3.1774000000e+00 -3.7196500000e+00  7.6070000000e-01 -4.1556100000e+00  2.6249900000e+00 -1.7005700000e+00  3.7226400000e+00  2.7715800000e+00 -1.3882300000e+00  2.8297900000e+00  3.4631500000e+00 -2.0817800000e+00  3.9841700000e+00 -4.1557700000e+00  2.3237400000e+00 -1.5025600000e+00 -4.1669400000e+00  1.4908100000e+00 -1.9740900000e+00 -3.3396800000e+00  2.7430200000e+00 -1.7753600000e+00  1.5836300000e+00  5.5275000000e-01  6.7489000000e-01  1.5520000000e+00  1.0131600000e+00 -1.6371000000e-01  7.2304000000e-01  7.0549000000e-01  1.0651400000e+00  3.6653100000e+00 -9.0772000000e-01  1.2672000000e+00  2.9758600000e+00 -3.2600000000e-01  9.4705000000e-01  3.4706700000e+00 -1.7544300000e+00  8.6542000000e-01 -1.5034400000e+00  1.4422100000e+00 -5.0640000000e-02 -2.4337700000e+00  1.6661400000e+00 -7.4660000000e-02 -1.4320600000e+00  7.8738000000e-01  6.4386000000e-01  1.8786500000e+00  1.6065200000e+00 -1.9057500000e+00  1.6816900000e+00  2.2548900000e+00 -2.5818200000e+00  1.8085300000e+00  7.6363000000e-01 -2.3539100000e+00  9.8170000000e-02 -9.3701000000e-01  4.5015600000e+00  1.4570000000e-02 -1.6722800000e+00  5.1087100000e+00  9.9879000000e-01 -9.9098000000e-01  4.1818700000e+00 -1.3175800000e+00 -5.1585000000e-01  2.0037400000e+00 -1.5718600000e+00 -1.4130300000e+00  2.2197300000e+00 -8.0342000000e-01 -2.2428000000e-01  2.7566300000e+00  1.2193500000e+00 -2.1128100000e+00  2.6535000000e-01  1.1657600000e+00 -2.3950900000e+00  1.1784100000e+00  1.4230600000e+00 -1.1788300000e+00  3.1447000000e-01
ENERGY -9.171614028550e+02
EMD0 -3.039419490000e+02
FORCES  -1.8460000000e-03 -8.8396000000e-03  5.2980000000e-04 -3.8747000000e-03  9.5115000000e-03 -5.8299000000e-03  4.3133000000e-03  2.1934000000e-03  2.8149000000e-03  6.1050000000e-04  6.1751000000e-03  5.2782000000e-03 -3.2640000000e-04 -1.1531000000e-03  5.3033000000e-03 -3.4250000000e-04 -5.7201000000e-03 -1.9645800000e-02  1.0100500000e-02 -2.0471000000e-03 -4.9049000000e-03 -9.9810000000e-03 -2.3474000000e-03  2.2379000000e-03  7.2400000000e-04  6.9630000000e-04  4.4630000000e-03  7.1002000000e-03  7.4961000000e-03 -5.1318000000e-03 -1.2099400000e-02 -1.0046300000e-02  1.0772800000e-02  3.2620000000e-04 -1.2598000000e-03 -4.8909000000e-03 -7.6337000000e-03 -7.7070000000e-04 -6.8135000000e-03  5.2818000000e-03  1.0152400000e-02  5.0908000000e-03 -6.9200000000e-04 -6.8694000000e-03  3.5925000000e-03  1.2076500000e-02 -1.2200000000e-05 -7.9530000000e-04 -5.6132000000e-03 -1.3978200000e-02  1.4729000000e-02  1.0459000000e-03 -2.6000000000e-06 -5.6580000000e-03 -3.2752000000e-03  1.5496700000e-02 -9.3145000000e-03 -1.6036000000e-03 -1.5383200000e-02 -1.3748000000e-03 -7.3286000000e-03  4.4164000000e-03  7.5810000000e-03 -3.4610000000e-03 -2.2178000000e-03  1.0288400000e-02  8.1951000000e-03 -5.3735000000e-03  6.3450000000e-04  1.0211000000e-03  1.3153300000e-02 -6.8782000000e-03  2.3948000000e-03  2.2474000000e-03  2.2935000000e-03 -1.0613000000e-03 -8.6834000000e-03 -4.9463000000e-03  1.7460000000e-04  1.3156100000e-02  1.0117000000e-03  1.0165600000e-02 -2.8223000000e-03  4.1220000000e-03  2.9144000000e-03 -3.7870000000e-04 -9.1090000000e-04 -1.4086700000e-02  2.5325000000e-03 -3.0087000000e-03 -4.5213000000e-03 -5.9678000000e-03  6.8568000000e-03  1.6856000000e-03  6.5320000000e-04  3.0881000000e-03  1.1177000000e-03  1.7502000000e-03 -1.3834100000e-02 -2.7799000000e-03  9.6766000000e-03  4.0130000000e-03  6.0310000000e-03  6.9280000000e-03 -2.8060000000e-04  5.2476000000e-03 -1.2362000000e-02 -4.8290000000e-04

JOB 257
COORDS  -7.1150000000e-02 -3.4346000000e+00 -2.3316100000e+00  3.0928000000e-01 -3.4766700000e+00 -1.4542600000e+00  6.8317000000e-01 -3.4412400000e+00 -2.9208400000e+00 -1.2481300000e+00 -8.0353000000e-01 -2.3999700000e+00 -1.2461900000e+00 -1.7514800000e+00 -2.2672600000e+00 -1.7141900000e+00 -4.5572000000e-01 -1.6396700000e+00 -1.2395400000e+00  1.6822100000e+00 -3.6643600000e+00 -1.0962600000e+00  8.3152000000e-01 -3.2496000000e+00 -1.7138300000e+00  1.4792600000e+00 -4.4706400000e+00  2.7278600000e+00 -1.8034600000e+00  2.3420100000e+00  3.1612600000e+00 -1.1814000000e+00  1.7577000000e+00  3.4342900000e+00 -2.1574700000e+00  2.8822500000e+00 -2.4081100000e+00  3.0082000000e+00 -1.4478100000e+00 -2.1296700000e+00  2.6446100000e+00 -2.2883500000e+00 -3.3118400000e+00  3.2873700000e+00 -1.5946500000e+00  1.1113600000e+00  1.0087800000e+00  1.1240500000e+00  8.9833000000e-01  1.6511600000e+00  4.4714000000e-01  6.9740000000e-01  1.9908000000e-01  8.2529000000e-01  3.7596100000e+00  7.8500000000e-02  6.9568000000e-01  2.8781400000e+00  4.1797000000e-01  8.5056000000e-01  4.3104700000e+00  8.5909000000e-01  6.3669000000e-01 -2.7026100000e+00  4.9758000000e-01 -1.0852000000e-01 -2.9048500000e+00  1.4055500000e+00 -3.3419000000e-01 -2.6850200000e+00  4.8636000000e-01  8.4846000000e-01  7.0061000000e-01  2.8488800000e+00 -1.0324500000e+00 -2.1327000000e-01  3.1143100000e+00 -9.2950000000e-01  7.2987000000e-01  2.4149000000e+00 -1.8851100000e+00  3.8092000000e-01 -6.9730000000e-02  3.8731800000e+00  1.1843500000e+00 -5.8904000000e-01  3.8410500000e+00  5.6232000000e-01  6.8770000000e-01  3.3167300000e+00 -2.4011100000e+00 -4.9970000000e-01  2.8919400000e+00 -2.2881700000e+00 -1.3963500000e+00  3.2073700000e+00 -1.5545500000e+00 -8.1560000000e-02  3.0491900000e+00  1.3240100000e+00 -2.5677300000e+00  1.1269000000e-01  1.3542700000e+00 -1.7679500000e+00 -4.1235000000e-01  1.7202900000e+00 -2.3213100000e+00  9.4843000000e-01
ENERGY -9.171740546533e+02
EMD0 -3.283322980000e+02
FORCES   1.1645000000e-03 -1.3051000000e-03  2.5245000000e-03 -8.0080000000e-04  1.6578000000e-03 -1.2384900000e-02  1.3916000000e-03 -5.5270000000e-04  4.4651000000e-03  1.1375000000e-03 -1.0111900000e-02 -3.1299000000e-03 -1.0138700000e-02  1.1740000000e-02  9.4724000000e-03  8.6185000000e-03 -7.1524000000e-03 -1.1714500000e-02  3.6780000000e-03 -1.1082200000e-02 -5.7680000000e-04 -3.3707000000e-03  1.7562900000e-02 -4.9549000000e-03 -1.9360000000e-04 -3.0793000000e-03  2.5487000000e-03  5.8392000000e-03  1.0745000000e-03 -9.6613000000e-03 -1.3903500000e-02 -8.6126000000e-03  3.7907000000e-03  2.1921000000e-03  6.0072000000e-03 -1.2005000000e-03  7.4521000000e-03 -1.2848000000e-03 -8.4666000000e-03 -1.0306000000e-02  8.7604000000e-03  1.4661700000e-02  1.4883000000e-03 -7.2895000000e-03 -3.2440000000e-03 -6.0645000000e-03  1.4270700000e-02 -6.4344000000e-03 -1.0225000000e-03 -1.6912200000e-02  1.2112500000e-02  7.4872000000e-03  4.1918000000e-03 -3.6234000000e-03 -4.9306000000e-03  1.3229000000e-03  1.8689000000e-03  1.6326700000e-02 -1.2990600000e-02  7.0090000000e-04 -5.6408000000e-03  2.5305000000e-03 -3.7760000000e-04 -2.1069000000e-03  5.3730000000e-04  9.8580000000e-04 -4.8093000000e-03 -7.1472000000e-03  9.5862000000e-03  3.6740000000e-04  1.3633600000e-02 -8.7614000000e-03  1.7740000000e-04  8.1643000000e-03 -5.9814000000e-03  8.5765000000e-03 -6.8444000000e-03 -6.9970000000e-04 -2.3663000000e-03  6.6160000000e-04  4.7367000000e-03  3.8831000000e-03 -2.5783000000e-03  4.4910000000e-04 -1.8754000000e-03  7.1274000000e-03  2.5233000000e-03 -3.1272000000e-03 -5.9989000000e-03  4.2882000000e-03  2.8854000000e-03 -3.9130000000e-03  6.9986000000e-03  1.7349000000e-03  1.4300000000e-03  6.6410000000e-04 -6.7953000000e-03  1.1940000000e-03 -7.0396000000e-03  7.9558000000e-03 -6.1912000000e-03  1.4360500000e-02  1.7060000000e-04 -6.4970000000e-04  7.0394000000e-03 -5.0749000000e-03  1.1829200000e-02 -1.5526500000e-02

JOB 258
COORDS  -2.7760000000e-02 -2.4934500000e+00 -1.9618000000e-01  9.0040000000e-01 -2.3033800000e+00 -3.3263000000e-01 -3.5360000000e-02 -3.2068000000e+00  4.4202000000e-01 -2.4089600000e+00 -9.0012000000e-01 -2.0077200000e+00 -2.8080900000e+00 -1.7694900000e+00 -1.9741500000e+00 -2.8193700000e+00 -4.1971000000e-01 -1.2887000000e+00 -9.7230000000e-01  1.4102700000e+00 -2.8904400000e+00 -1.3315200000e+00  5.2544000000e-01 -2.9557500000e+00 -5.7667000000e-01  1.4449900000e+00 -2.0195200000e+00  4.0864200000e+00 -2.6301400000e+00  1.6975400000e+00  3.5329600000e+00 -2.1437700000e+00  2.3085700000e+00  4.7464900000e+00 -3.0470900000e+00  2.2513500000e+00 -3.3272100000e+00  2.5730300000e+00 -2.0131200000e+00 -2.4390300000e+00  2.4112500000e+00 -2.3312400000e+00 -3.7332000000e+00  3.1069100000e+00 -2.6960300000e+00  2.8295100000e+00  9.4693000000e-01  1.9359000000e-01  1.9781900000e+00  1.3278600000e+00 -2.1760000000e-02  3.0205200000e+00  3.5806000000e-01 -5.3646000000e-01  2.4584300000e+00 -4.4266000000e-01  2.5227600000e+00  2.8289100000e+00 -1.4662000000e-01  1.6913000000e+00  3.0908600000e+00 -1.5762000000e-01  3.1823200000e+00 -3.3303700000e+00  7.9437000000e-01  1.3860000000e-02 -3.4602500000e+00  1.5592500000e+00 -5.4678000000e-01 -3.1325500000e+00  1.1597000000e+00  8.7620000000e-01  4.5512000000e-01  1.7719400000e+00 -5.5735000000e-01  5.0906000000e-01  2.6306400000e+00 -1.3790000000e-01 -1.7420000000e-02  1.2268100000e+00  7.1760000000e-02 -2.0480000000e-01 -2.9313000000e-01  1.5454300000e+00  6.6755000000e-01 -4.4039000000e-01  1.9108800000e+00 -3.1372000000e-01 -9.8845000000e-01  8.9666000000e-01 -2.2498900000e+00  1.3937300000e+00  2.4711700000e+00 -2.9018900000e+00  1.0116100000e+00  3.0586200000e+00 -1.5654700000e+00  7.2768000000e-01  2.4065100000e+00  2.5619000000e+00 -2.0123900000e+00 -9.0447000000e-01  2.7760200000e+00 -2.1761600000e+00 -1.8229300000e+00  3.1590800000e+00 -2.5775600000e+00 -4.1437000000e-01
ENERGY -9.171850621383e+02
EMD0 -3.475955510000e+02
FORCES   9.0694000000e-03  6.6460000000e-04 -1.3921200000e-02 -1.2585700000e-02 -3.9866000000e-03  1.3131700000e-02  4.8404000000e-03  4.4109000000e-03 -1.5450000000e-04  4.8100000000e-05  6.3218000000e-03  8.0685000000e-03 -4.8122000000e-03  2.6295000000e-03  4.0680000000e-03  1.4467000000e-03 -1.2645900000e-02 -1.3299300000e-02  4.7015000000e-03 -7.0809000000e-03  3.4476000000e-03  8.1643000000e-03  9.2561000000e-03  1.5755000000e-03 -1.2516500000e-02 -3.5132000000e-03 -3.4825000000e-03 -4.6184000000e-03  5.7010000000e-03 -3.0340000000e-04  1.2450400000e-02 -8.5143000000e-03  1.8748000000e-03 -4.1935000000e-03  4.8056000000e-03  4.5605000000e-03  8.5662000000e-03 -1.2214700000e-02 -3.0150000000e-04 -1.5407200000e-02  1.1988200000e-02  7.2550000000e-03  6.4762000000e-03  1.7780000000e-04 -3.1281000000e-03 -2.0845800000e-02  1.0993100000e-02 -7.5012000000e-03  9.4611000000e-03 -2.5978000000e-03  5.0518000000e-03 -2.0287000000e-03  3.9122000000e-03  1.9934000000e-03 -5.3062000000e-03  1.5860900000e-02 -1.2632900000e-02  9.4850000000e-04 -1.5262600000e-02  2.0789900000e-02  5.2525000000e-03 -5.0292000000e-03 -6.4928000000e-03  3.6330000000e-03  4.5260000000e-03  3.9869000000e-03  6.1945000000e-03 -5.7507000000e-03  1.3578100000e-02 -9.3920000000e-03  3.7358000000e-03 -1.1665500000e-02  4.4810000000e-04 -6.8980000000e-03 -3.7407000000e-03  4.5581000000e-03 -7.8635000000e-03  3.9699000000e-03  8.6768000000e-03  1.3506300000e-02 -1.1384300000e-02  2.5182000000e-03 -1.2444800000e-02 -2.5580000000e-04 -8.5381000000e-03 -4.9115000000e-03 -1.1385200000e-02  9.7870000000e-03  1.1528900000e-02  1.2255600000e-02  1.0828700000e-02 -2.2932000000e-03 -5.8009000000e-03  3.1115000000e-03 -3.6669000000e-03 -4.1300000000e-03 -1.4622800000e-02  7.0257000000e-03  8.8720000000e-03 -5.3255000000e-03  6.7190000000e-04  3.2873000000e-03  5.3914000000e-03 -2.3588000000e-03  5.1643000000e-03 -6.3799000000e-03 -6.8370000000e-04 -1.3351300000e-02

JOB 259
COORDS  -2.2120200000e+00 -3.0697300000e+00  1.4584200000e+00 -2.0753600000e+00 -2.2974600000e+00  2.0072000000e+00 -2.6190500000e+00 -2.7291100000e+00  6.6184000000e-01 -1.2083600000e+00 -1.5293300000e+00 -1.3809400000e+00 -2.0131300000e+00 -1.6526400000e+00 -1.8843100000e+00 -1.4679700000e+00 -9.7445000000e-01 -6.4546000000e-01 -3.3291000000e-01  7.8630000000e-01 -2.8500800000e+00 -3.1425000000e-01 -2.0180000000e-02 -2.3348400000e+00  1.8751000000e-01  1.4081300000e+00 -2.3414400000e+00  6.9177000000e-01 -3.1204900000e+00  5.2876000000e-01 -2.4980000000e-02 -3.4588100000e+00  1.0654600000e+00  2.5768000000e-01 -2.6380700000e+00 -1.7486000000e-01 -2.7215500000e+00  2.3127800000e+00 -2.5742700000e+00 -2.1046200000e+00  1.5975000000e+00 -2.7291700000e+00 -2.7192000000e+00  2.8127400000e+00 -3.3905200000e+00  3.4997000000e+00  1.4467000000e+00 -1.4343000000e-01  2.7557000000e+00  1.9161800000e+00 -5.2065000000e-01  3.3560800000e+00  5.3269000000e-01 -3.8878000000e-01  3.0542100000e+00  1.5905200000e+00  2.3376200000e+00  3.2092400000e+00  1.6048800000e+00  1.3931600000e+00  3.6804100000e+00  2.2211200000e+00  2.6932200000e+00 -2.8295200000e+00  2.3946000000e-01  2.2950000000e-01 -2.6790900000e+00  1.1588700000e+00  9.7500000000e-03 -3.3801400000e+00  2.6672000000e-01  1.0120000000e+00  9.5094000000e-01  2.4815100000e+00 -9.8083000000e-01  5.5704000000e-01  3.3522900000e+00 -1.0338600000e+00  7.5455000000e-01  2.1829400000e+00 -9.2850000000e-02  6.5101000000e-01  3.0828000000e-01  1.1863100000e+00  1.3337800000e+00  2.8342000000e-01  1.8567100000e+00  1.0317800000e+00 -1.5263000000e-01  4.3877000000e-01 -1.6933500000e+00 -6.1362000000e-01  2.7622300000e+00 -9.0881000000e-01 -5.3440000000e-01  3.3048500000e+00 -1.4027200000e+00 -3.7058000000e-01  1.8832000000e+00  2.1612000000e+00 -9.3083000000e-01 -5.2839000000e-01  2.1235400000e+00 -1.2201600000e+00 -1.4400300000e+00  2.2992400000e+00 -1.7344700000e+00 -2.7050000000e-02
ENERGY -9.171725906997e+02
EMD0 -3.208062430000e+02
FORCES  -3.3516000000e-03  5.2437000000e-03  8.1097000000e-03 -3.1490000000e-04 -7.0172000000e-03 -1.4767900000e-02  1.5526000000e-03  4.0928000000e-03  3.8220000000e-03 -7.4734000000e-03  1.1123000000e-03 -4.7800000000e-05  4.2860000000e-04  2.0820000000e-03  3.6210000000e-03  6.2927000000e-03 -6.9601000000e-03 -8.1521000000e-03  4.0887000000e-03  5.2000000000e-05  3.8318000000e-03  5.1189000000e-03  1.1920700000e-02  4.0400000000e-04 -5.6448000000e-03 -9.5614000000e-03 -4.2095000000e-03 -9.7575000000e-03 -4.0362000000e-03  2.7035000000e-03  6.1883000000e-03  2.4341000000e-03 -4.1629000000e-03  8.0353000000e-03  4.9840000000e-04  5.6457000000e-03  5.6277000000e-03 -5.1955000000e-03 -1.9891000000e-03 -1.2190100000e-02  8.3231000000e-03  1.0980000000e-04  2.7558000000e-03 -2.9171000000e-03 -3.2800000000e-05 -4.6903000000e-03 -5.3981000000e-03  9.4825000000e-03  3.0309000000e-03 -7.9969000000e-03  1.0517800000e-02 -4.2400000000e-05  8.5718000000e-03 -9.1170000000e-04  5.9186000000e-03 -3.8638000000e-03 -2.5310800000e-02 -6.4537000000e-03  5.0468000000e-03  1.5450000000e-02  1.0577000000e-03  1.7393000000e-03 -7.0817000000e-03 -3.6980000000e-03  8.4000000000e-04 -2.4658000000e-03 -1.4054000000e-03 -3.5285000000e-03  8.4541000000e-03  2.6911000000e-03  5.0532000000e-03 -3.8227000000e-03 -1.1813000000e-03 -3.8761000000e-03 -7.3100000000e-05 -1.0317000000e-03 -4.3565000000e-03  5.1579000000e-03  4.3307000000e-03  1.2350000000e-02 -1.1511100000e-02  1.4696100000e-02 -9.7841000000e-03 -3.6784000000e-03 -4.3437000000e-03 -8.0072000000e-03 -7.4213000000e-03 -1.5688000000e-03  5.2238000000e-03  7.0772000000e-03  4.4461000000e-03  5.2354000000e-03 -6.2530000000e-04 -3.3280000000e-04  4.9450000000e-04 -2.1827000000e-03 -7.9960000000e-03 -9.5255000000e-03  5.8091000000e-03 -8.6193000000e-03  5.1646000000e-03  1.3034400000e-02  2.4129000000e-03 -2.0713000000e-03  5.6048000000e-03  1.4231000000e-03  8.6171000000e-03 -1.0388300000e-02

JOB 260
COORDS   7.6127000000e-01 -1.1733500000e+00  2.1561100000e+00  6.1352000000e-01 -9.2395000000e-01  3.0683700000e+00  1.6221200000e+00 -8.1200000000e-01  1.9449300000e+00 -2.5998000000e+00 -1.4420300000e+00 -8.5007000000e-01 -3.1551100000e+00 -1.9354700000e+00 -2.4643000000e-01 -3.1213000000e+00 -1.3672400000e+00 -1.6492400000e+00  2.4900000000e-01  1.7422800000e+00 -1.7299300000e+00  1.0126000000e+00  1.1898100000e+00 -1.8970800000e+00  4.8825000000e-01  2.2552000000e+00 -9.5798000000e-01  9.1440000000e-02 -2.0454400000e+00 -6.3774000000e-01  2.4469000000e-01 -1.8613400000e+00  2.8901000000e-01 -8.2638000000e-01 -1.8138200000e+00 -7.7986000000e-01 -2.4458200000e+00  1.4316200000e+00 -2.7476700000e+00 -1.6354800000e+00  1.4567500000e+00 -2.2388100000e+00 -2.7082200000e+00  2.3487700000e+00 -2.8265300000e+00  3.5027700000e+00  6.2818000000e-01  3.9897000000e-01  2.8063400000e+00  1.2844800000e+00  3.7677000000e-01  3.2907800000e+00  2.9000000000e-02 -3.1677000000e-01  3.9171900000e+00 -7.5303000000e-01  2.7024100000e+00  3.9704600000e+00 -2.3571000000e-01  1.8988100000e+00  4.5819400000e+00 -1.4332400000e+00  2.5944500000e+00 -3.7305900000e+00 -1.5413400000e+00 -3.2206500000e+00 -3.2661000000e+00 -7.3579000000e-01 -3.4477400000e+00 -3.4416400000e+00 -2.1775500000e+00 -3.8748600000e+00  9.2024000000e-01  2.5166800000e+00  9.0409000000e-01  1.0602500000e+00  3.0682000000e+00  1.6738100000e+00  8.0900000000e-02  2.0862300000e+00  1.0667500000e+00 -1.1826300000e+00  3.3586000000e-01  1.0461700000e+00 -3.7820000000e-01  4.2130000000e-02  1.4737800000e+00 -1.2550000000e+00 -2.1498000000e-01  2.6671000000e-01 -1.3721000000e+00  6.8710000000e-01  3.8190000000e+00 -2.0111100000e+00  1.1827000000e-01  4.2483400000e+00 -1.4738600000e+00  5.0078000000e-01  2.8856400000e+00  1.9179800000e+00 -3.6094000000e-01 -1.7940700000e+00  1.9274300000e+00 -4.6255000000e-01 -2.7458200000e+00  1.1272500000e+00 -8.2043000000e-01 -1.5115100000e+00
ENERGY -9.171742458457e+02
EMD0 -3.299353550000e+02
FORCES   1.4351000000e-03 -7.5839000000e-03  5.5749000000e-03  2.2245000000e-03  3.3423000000e-03 -7.6740000000e-03 -1.4155800000e-02  3.6033000000e-03 -1.5207000000e-03 -7.7135000000e-03  1.6026000000e-03 -2.0813900000e-02 -2.2167000000e-03  1.2610000000e-04 -4.2703000000e-03  2.7458000000e-03  2.1734000000e-03  1.4014100000e-02  1.1600200000e-02 -7.8357000000e-03  2.6760000000e-03 -4.9857000000e-03  7.4679000000e-03  6.1390000000e-04  4.2880000000e-04 -6.8936000000e-03 -4.3898000000e-03 -9.6744000000e-03 -9.6765000000e-03  2.4147000000e-03 -6.6710000000e-03  7.3562000000e-03 -1.0608700000e-02  1.7305500000e-02  5.8411000000e-03  8.8927000000e-03  7.9574000000e-03  2.8859000000e-03  3.3433000000e-03 -1.4898200000e-02  2.7563000000e-03 -3.7713000000e-03  3.8145000000e-03  5.5250000000e-04  2.8031000000e-03 -8.2880000000e-04  2.0876000000e-03 -2.4187000000e-03  4.6622000000e-03 -6.9749000000e-03 -3.8690000000e-03  1.7713000000e-03  3.5411000000e-03  9.7527000000e-03  6.1210000000e-04  8.4996000000e-03 -5.3082000000e-03  3.1814000000e-03 -1.3584900000e-02  1.0087800000e-02  3.3210000000e-04  3.7784000000e-03 -5.4168000000e-03 -1.8761000000e-03 -1.7552000000e-03  7.5958000000e-03  1.5268000000e-03 -1.6058000000e-02  2.0974000000e-03  2.0682000000e-03  6.5067000000e-03 -2.1749000000e-03 -3.4353000000e-03  2.5150000000e-04 -2.8824000000e-03 -5.1266000000e-03 -4.5218000000e-03  4.7420000000e-04  1.0678100000e-02  9.3041000000e-03  2.6359000000e-03  2.7250000000e-04 -1.3926800000e-02 -3.0757000000e-03 -1.1089900000e-02  1.1205200000e-02 -1.3286000000e-03  1.3370900000e-02 -4.3319000000e-03  6.5857000000e-03 -4.0723000000e-03  5.3982000000e-03 -5.2346000000e-03  8.5300000000e-04 -1.4611000000e-03 -5.2212000000e-03  7.5508000000e-03 -4.0253000000e-03  1.0305100000e-02 -1.0190600000e-02 -1.1556900000e-02  1.1182000000e-02 -8.1384000000e-03  2.5798000000e-03  3.4510000000e-03  1.0682100000e-02  1.9326600000e-02 -1.4521400000e-02

JOB 261
COORDS   1.1512100000e+00 -1.7132200000e+00  2.4884000000e+00  9.9116000000e-01 -2.0984200000e+00  1.6268700000e+00  2.0903400000e+00 -1.5283500000e+00  2.4979100000e+00 -1.9424400000e+00 -1.1715400000e+00 -2.1764300000e+00 -1.5674700000e+00 -3.9100000000e-01 -2.5843400000e+00 -2.5005500000e+00 -1.5521400000e+00 -2.8545800000e+00  8.2140000000e-02  1.5276800000e+00 -8.0462000000e-01  4.3663000000e-01  6.4001000000e-01 -7.5343000000e-01 -4.7890000000e-01  1.6069100000e+00 -3.3140000000e-02 -1.1402000000e+00 -2.0455000000e+00  2.2620000000e-01 -1.6319400000e+00 -1.7239300000e+00  9.8186000000e-01 -1.6245400000e+00 -1.7187700000e+00 -5.3201000000e-01 -1.0120500000e+00  9.2242000000e-01 -3.3655700000e+00 -6.8386000000e-01  1.3387200000e+00 -2.5685600000e+00 -1.2531000000e+00  1.6524400000e+00 -3.9358400000e+00  2.4994000000e+00  2.4515200000e+00 -1.9496000000e-01  1.6664600000e+00  2.1712100000e+00 -5.7427000000e-01  2.5659600000e+00  3.3792400000e+00 -4.2110000000e-01  3.5875100000e+00 -4.3128000000e-01  1.5754600000e+00  3.6216400000e+00  5.0602000000e-01  1.7666100000e+00  3.2069100000e+00 -4.8371000000e-01  6.9875000000e-01 -2.5400300000e+00 -6.5767000000e-01 -5.1677600000e+00 -1.9694200000e+00 -1.6045000000e-01 -4.5817500000e+00 -1.9431800000e+00 -1.2115800000e+00 -5.6709400000e+00 -1.3001600000e+00  1.7101700000e+00  1.6137300000e+00 -7.5786000000e-01  1.2956500000e+00  2.2847800000e+00 -2.1623700000e+00  1.7951500000e+00  2.0206800000e+00 -1.7127800000e+00 -9.3323000000e-01  3.5977400000e+00 -7.5713000000e-01 -9.7806000000e-01  3.5667800000e+00 -1.9105700000e+00 -6.3960000000e-01  4.4870600000e+00  1.2296600000e+00  1.1806700000e+00  2.6961300000e+00  1.7964200000e+00  1.5641700000e+00  2.0268500000e+00  1.1077500000e+00  2.7344000000e-01  2.4162800000e+00  1.0994700000e+00 -9.0268000000e-01 -3.9493000000e-01  1.5167300000e+00 -1.4741100000e+00 -1.0396100000e+00  2.2673000000e-01 -1.2762300000e+00 -2.7237000000e-01
ENERGY -9.171734028982e+02
EMD0 -3.262721820000e+02
FORCES   8.6811000000e-03 -1.8252000000e-03 -3.4717000000e-03  4.8982000000e-03  6.9680000000e-04  2.3777000000e-03 -1.1755600000e-02 -3.8022000000e-03 -2.0127000000e-03  4.4439000000e-03  1.3829000000e-02 -6.2011000000e-03 -4.1200000000e-05 -5.8785000000e-03  1.5040000000e-04  4.2606000000e-03  4.3508000000e-03 -8.7040000000e-04  6.1291000000e-03 -6.4218000000e-03  2.0206300000e-02 -1.0840300000e-02  1.4563200000e-02  6.5620000000e-04  1.1727800000e-02 -8.9600000000e-03 -1.3703500000e-02  5.0830000000e-04 -1.3455000000e-03 -1.0391600000e-02 -2.0588000000e-03  1.2674000000e-03 -9.9804000000e-03  9.7012000000e-03  1.2594000000e-03  2.0641300000e-02 -1.8557000000e-03 -1.3340100000e-02  1.6014600000e-02 -1.0605200000e-02 -4.1577000000e-03 -2.1427500000e-02  2.5923000000e-03 -1.0455000000e-03  3.9763000000e-03 -1.4702800000e-02 -3.9685000000e-03 -6.6845000000e-03  1.4708300000e-02  4.6986000000e-03  8.1990000000e-04 -4.7872000000e-03 -1.9018000000e-03 -2.8313000000e-03  1.8491000000e-03  3.0676000000e-03 -8.3870000000e-04 -4.2540000000e-03 -1.9642000000e-03 -2.6290000000e-03  2.9358000000e-03  3.6900000000e-04  4.9907000000e-03 -1.3895000000e-03  4.3714000000e-03 -9.0900000000e-05 -8.9040000000e-04 -3.5910000000e-03 -2.6215000000e-03  2.0436000000e-03  2.8981000000e-03  4.5097000000e-03  8.0050000000e-03 -1.3630000000e-04  1.9674000000e-03 -1.3277700000e-02 -2.8133000000e-03 -2.6357000000e-03  4.2173000000e-03  1.9080000000e-04  5.3398000000e-03 -2.5780000000e-04 -6.0303000000e-03  2.0980000000e-04 -9.6396000000e-03  7.0528000000e-03  5.2177000000e-03  5.2307000000e-03  5.1400000000e-04 -1.7169000000e-03  3.9568000000e-03 -1.9420000000e-03 -1.1505000000e-03  1.9645000000e-03 -1.0437200000e-02  4.8258000000e-03 -2.2920000000e-03  1.4405000000e-02 -1.5548000000e-03 -2.4494500000e-02 -5.6348000000e-03  9.8296000000e-03 -3.9316000000e-03 -1.9875000000e-03  3.8595000000e-03  1.9220300000e-02  1.3649400000e-02 -1.4779800000e-02

JOB 262
COORDS  -7.8664000000e-01 -1.0151300000e+00  3.3676800000e+00 -1.3887200000e+00 -7.7535000000e-01  4.0721200000e+00  8.4320000000e-02 -8.6003000000e-01  3.7331900000e+00 -2.2802500000e+00 -1.5719700000e+00 -1.5949500000e+00 -2.1201800000e+00 -1.9886100000e+00 -7.4818000000e-01 -2.5254500000e+00 -6.7265000000e-01 -1.3773800000e+00  8.6779000000e-01  6.9310000000e-01 -1.4962900000e+00  1.5369900000e+00  9.0630000000e-02 -1.8210000000e+00  3.0933000000e-01  1.5282000000e-01 -9.3732000000e-01 -1.7967000000e-01 -3.3262100000e+00 -2.1128900000e+00 -5.7575000000e-01 -3.9198800000e+00 -2.7507800000e+00 -8.5199000000e-01 -2.6643100000e+00 -1.9513200000e+00 -1.2684000000e+00  1.5564500000e+00 -2.8317200000e+00 -3.7510000000e-01  1.4690600000e+00 -2.4991300000e+00 -1.2859600000e+00  1.0114900000e+00 -3.6184500000e+00  1.2307200000e+00  1.8097200000e+00  1.0502300000e+00  1.1802400000e+00  1.8761100000e+00  9.6670000000e-02  9.4517000000e-01  9.1691000000e-01  1.2440900000e+00  1.9710200000e+00 -7.4673000000e-01  3.5859500000e+00  2.6072700000e+00 -2.1226000000e-01  3.1108000000e+00  1.9752000000e+00 -1.5877800000e+00  3.1289400000e+00 -3.1330200000e+00  1.1146100000e+00 -8.2231000000e-01 -2.5794500000e+00  1.4595900000e+00 -1.5228700000e+00 -2.9358300000e+00  1.6675800000e+00 -6.6290000000e-02 -7.3052000000e-01 -2.5535000000e-01  8.7806000000e-01 -1.3543300000e+00  4.7066000000e-01  8.7867000000e-01 -8.3903000000e-01 -6.6572000000e-01  1.7360000000e+00 -1.5484900000e+00  2.6422400000e+00  7.7790000000e-01 -2.1935200000e+00  2.7170000000e+00  1.4811600000e+00 -7.0235000000e-01  2.7126100000e+00  1.2198600000e+00  3.6960700000e+00  9.4646000000e-01  1.9767800000e+00  4.4386600000e+00  1.2489200000e+00  1.4539900000e+00  2.9304600000e+00  1.3346900000e+00  1.5532900000e+00  2.1594500000e+00 -1.8238600000e+00 -2.7744200000e+00  2.2669900000e+00 -1.6458500000e+00 -3.7087600000e+00  1.4971500000e+00 -2.5138900000e+00 -2.7362500000e+00
ENERGY -9.171794497561e+02
EMD0 -3.304707980000e+02
FORCES   1.0179200000e-02  1.4796000000e-03 -1.1989500000e-02  6.5485000000e-03  2.4104000000e-03  2.2477000000e-03 -1.8129000000e-02 -4.6979000000e-03  2.1549000000e-03 -6.6204000000e-03  1.4644200000e-02  1.2092000000e-03  4.4092000000e-03 -2.0431000000e-03 -7.2688000000e-03  4.5987000000e-03 -1.3771800000e-02 -2.3735000000e-03 -4.5818000000e-03 -5.8665000000e-03 -3.2078000000e-03 -6.5565000000e-03  7.9221000000e-03  7.1845000000e-03  9.9992000000e-03  7.0792000000e-03 -6.9387000000e-03 -9.0646000000e-03  8.9432000000e-03  6.9858000000e-03 -2.7740000000e-04  3.9714000000e-03 -1.6910000000e-04  4.9914000000e-03 -1.4573600000e-02  1.8857000000e-03  1.0770700000e-02 -3.6479000000e-03  9.7974000000e-03 -1.0271300000e-02  1.9778000000e-03 -9.4064000000e-03  5.2076000000e-03  4.0620000000e-04  1.2867000000e-03 -6.7721000000e-03 -1.0436300000e-02 -1.0298000000e-02 -1.4730000000e-03  2.3862000000e-03  1.1102700000e-02  1.2017700000e-02  8.0233000000e-03 -3.5370000000e-04  1.0457100000e-02  8.7673000000e-03  9.9160000000e-04 -1.1035300000e-02 -1.1420200000e-02  6.1970000000e-04 -2.9746000000e-03  5.1872000000e-03 -7.6480000000e-04  9.6225000000e-03  1.0170800000e-02 -5.2689000000e-03 -8.6209000000e-03 -5.3503000000e-03  1.2689100000e-02 -9.5670000000e-04  1.6661000000e-03  4.7369000000e-03 -4.2630000000e-03 -4.6443000000e-03  1.7225000000e-02  1.9547000000e-03 -6.4394000000e-03  8.4663000000e-03 -1.8644000000e-03  9.7253000000e-03 -1.2896100000e-02  8.2262000000e-03  2.0696000000e-03 -9.6966000000e-03  3.6378000000e-03 -7.4577000000e-03 -3.7659000000e-03 -1.5735500000e-02  1.5584000000e-03  2.7843000000e-03 -5.5216000000e-03  4.2088000000e-03 -1.3920000000e-04 -5.7244000000e-03  4.5253000000e-03 -4.2762000000e-03  1.4539400000e-02 -1.0357800000e-02  2.4783000000e-03 -5.2056000000e-03 -1.0887100000e-02  5.4321000000e-03 -4.4931000000e-03 -2.6145000000e-03  1.8487000000e-03  1.2981300000e-02  7.0858000000e-03 -1.2313400000e-02

JOB 263
COORDS   2.7926000000e-01 -8.5441000000e-01  1.8475800000e+00 -4.8231000000e-01 -2.7593000000e-01  1.8074200000e+00  6.1103000000e-01 -7.5281000000e-01  2.7396800000e+00 -3.2991900000e+00 -2.7800400000e+00 -5.7370000000e-02 -3.6995100000e+00 -3.5323600000e+00  3.7851000000e-01 -4.0325100000e+00 -2.1953500000e+00 -2.4872000000e-01  2.4480700000e+00 -3.2040000000e-01 -1.1703900000e+00  2.7504800000e+00  2.1319000000e-01 -1.9052700000e+00  2.0849100000e+00 -1.1066000000e+00 -1.5780900000e+00 -3.5413000000e-01 -1.9662400000e+00 -2.9553600000e+00 -3.4296000000e-01 -1.9246300000e+00 -1.9991300000e+00 -1.0364100000e+00 -2.6057300000e+00 -3.1597900000e+00 -1.9021800000e+00  3.6712000000e-01 -2.2966800000e+00 -1.5754000000e+00 -2.4958000000e-01 -1.6416000000e+00 -1.5435300000e+00  4.9420000000e-02 -3.1253300000e+00  1.8862900000e+00  9.3869000000e-01  1.0181600000e+00  2.3217900000e+00  4.4760000000e-01  3.2146000000e-01  1.3150700000e+00  2.9828000000e-01  1.4422200000e+00  8.6499000000e-01  4.9135000000e-01  4.5184700000e+00  1.5074600000e+00  1.1330600000e+00  4.2156900000e+00  1.1413800000e+00  2.7708000000e-01  5.4095000000e+00 -4.7535000000e+00 -6.2350000000e-01 -1.2939400000e+00 -3.9013200000e+00 -2.6517000000e-01 -1.5421900000e+00 -5.3606300000e+00 -2.7177000000e-01 -1.9450300000e+00 -9.3648000000e-01 -1.4367500000e+00 -3.4300000000e-01 -1.7233800000e+00 -1.9454100000e+00 -1.4732000000e-01 -4.0614000000e-01 -1.4999900000e+00  4.5134000000e-01  9.6993000000e-01  3.5827100000e+00  1.1186600000e+00  6.7232000000e-01  3.5701200000e+00  2.0283300000e+00  1.4515500000e+00  2.7623600000e+00  1.0123500000e+00  3.0700900000e+00  2.1166700000e+00  3.2404400000e+00  3.3286100000e+00  2.9859900000e+00  2.9343600000e+00  2.9475700000e+00  1.6068900000e+00  2.4395900000e+00  1.8218400000e+00  6.0714000000e-01 -3.6596400000e+00  1.3150300000e+00  1.4179600000e+00 -3.7037300000e+00  1.1628300000e+00 -8.6180000000e-02 -3.6244400000e+00
ENERGY -9.171628302368e+02
EMD0 -3.026287240000e+02
FORCES   8.3948000000e-03 -1.0535000000e-03 -9.8247000000e-03  7.0279000000e-03 -4.2776000000e-03 -2.3458000000e-03 -1.2132000000e-03  7.1900000000e-03 -1.8326800000e-02  1.9578000000e-03  5.0321000000e-03 -4.4582000000e-03 -6.0428000000e-03  3.9673000000e-03 -1.6885000000e-03  6.4614000000e-03 -1.2160500000e-02  9.1676000000e-03 -8.4763000000e-03  1.0383500000e-02  1.1712000000e-03  2.9088000000e-03 -6.5141000000e-03  7.2268000000e-03  1.4169000000e-03  2.1965000000e-03 -3.7501000000e-03 -3.5068000000e-03 -2.5370000000e-04  1.2464200000e-02  2.1800000000e-05 -2.9109000000e-03 -1.6027700000e-02 -4.2410000000e-04  1.7436000000e-03  5.0312000000e-03  1.3403000000e-02 -4.1885000000e-03  3.8048000000e-03 -9.4838000000e-03 -5.3430000000e-04 -1.0160500000e-02  2.7590000000e-04  2.2887000000e-03  1.5752000000e-03 -1.8469800000e-02 -2.2747400000e-02 -1.6077200000e-02 -1.2250000000e-04  3.5165000000e-03  1.3840900000e-02  3.2682000000e-03  2.0455000000e-03  6.3162000000e-03  1.4378000000e-03  6.8761000000e-03  3.4449000000e-03 -8.6523000000e-03 -1.1628200000e-02  6.9341000000e-03  2.8987000000e-03  3.7556000000e-03 -1.7772000000e-03  8.5340000000e-04  3.2298000000e-03 -1.1501000000e-03 -1.1604100000e-02 -6.2743000000e-03  3.2797000000e-03  4.4505000000e-03  2.2116000000e-03 -1.6315000000e-03  7.5180000000e-04  1.6362000000e-03  9.1841000000e-03  1.4937000000e-02  1.0353600000e-02  1.1868000000e-03 -1.2917000000e-02  7.2200000000e-04  1.9970000000e-04  1.4630000000e-04 -1.0265300000e-02 -4.2296000000e-03  2.3847000000e-03 -1.9758000000e-03 -1.7295000000e-03 -2.5540000000e-04  1.3137000000e-02  6.6158000000e-03  4.7610000000e-04 -2.7323000000e-03 -1.0180700000e-02  7.0710000000e-04 -4.0769000000e-03 -4.0873000000e-03  5.0786000000e-03  9.7838000000e-03  1.3255400000e-02  1.1291000000e-03 -1.6719000000e-03  2.1878000000e-03 -2.3252000000e-03 -5.1715000000e-03 -1.2832000000e-03  3.1057000000e-03  8.3672000000e-03  1.8422000000e-03

JOB 264
COORDS  -5.2142000000e-01  2.2577500000e+00  4.1356000000e-01  4.1923000000e-01  2.3899300000e+00  5.3162000000e-01 -8.6176000000e-01  2.1486900000e+00  1.3015400000e+00 -1.1916500000e+00 -2.0298400000e+00  1.4698600000e+00 -1.5354700000e+00 -1.6132500000e+00  2.2600900000e+00 -1.9600000000e+00 -2.1619100000e+00  9.1449000000e-01  3.0489900000e+00  5.4353000000e-01 -1.2279200000e+00  2.7339800000e+00  4.7137000000e-01 -2.1289100000e+00  3.6444500000e+00  1.2928600000e+00 -1.2411600000e+00 -9.1691000000e-01  1.9000000000e-04 -3.0064600000e+00 -1.0807800000e+00  9.4290000000e-01 -2.9805900000e+00 -5.8206000000e-01 -2.0920000000e-01 -2.1345300000e+00 -3.5644500000e+00 -7.6836000000e-01 -2.3896700000e+00 -2.6946200000e+00 -5.1300000000e-01 -2.6969600000e+00 -4.0231100000e+00 -1.0556600000e+00 -3.1791800000e+00  2.0529800000e+00 -2.7947000000e-01  1.3821400000e+00  2.7672000000e+00 -2.5332000000e-01  7.4541000000e-01  1.3249200000e+00 -6.8310000000e-01  9.0967000000e-01 -2.4150000000e-01  1.2540000000e+00  3.1757100000e+00 -7.5921000000e-01  1.3416700000e+00  3.9760400000e+00  1.6418000000e-01  3.8985000000e-01  3.2457600000e+00 -3.4499000000e+00 -2.0978000000e+00  2.4349000000e-01 -3.4717100000e+00 -1.7840800000e+00 -6.6058000000e-01 -4.3699400000e+00 -2.1451600000e+00  5.0333000000e-01 -1.9555000000e-01 -2.7902000000e-01 -4.8866000000e-01 -6.5920000000e-01 -8.1518000000e-01  1.5461000000e-01 -5.4265000000e-01  6.0373000000e-01 -3.6017000000e-01  2.1115000000e+00  2.4155800000e+00  6.5748000000e-01  2.2143800000e+00  1.7067300000e+00  2.2510000000e-02  2.0691700000e+00  1.9737900000e+00  1.5055700000e+00  1.0117200000e+00 -1.2969500000e+00  3.5835400000e+00  5.6544000000e-01 -2.1273100000e+00  3.4174800000e+00  1.5042600000e+00 -1.1245500000e+00  2.7811000000e+00  1.9537100000e+00  3.7355000000e-01 -3.7413000000e+00  2.5223100000e+00 -2.5925000000e-01 -4.1800400000e+00  1.0765300000e+00 -3.1400000000e-03 -3.8112200000e+00
ENERGY -9.171885602348e+02
EMD0 -3.504112450000e+02
FORCES   2.4007100000e-02  5.2407000000e-03  7.4580000000e-03 -1.5101900000e-02 -9.5082000000e-03  2.2329000000e-03  1.4777000000e-03  2.6950000000e-03 -6.3685000000e-03 -2.0016500000e-02 -6.6818000000e-03 -7.7193000000e-03 -1.6954000000e-03 -2.8591000000e-03 -1.8158000000e-03  1.5411000000e-02  9.2356000000e-03  2.4705000000e-03 -1.1469800000e-02 -6.5632000000e-03 -1.4197500000e-02  1.6316300000e-02  4.2812000000e-03  1.1771600000e-02 -7.0082000000e-03 -7.8040000000e-04 -8.0440000000e-04  8.1551000000e-03 -5.6737000000e-03  2.2141700000e-02 -9.0470000000e-04 -5.2781000000e-03  3.7619000000e-03 -8.7919000000e-03  1.1580800000e-02 -2.1178400000e-02  1.0450100000e-02  7.0430000000e-03 -3.4729000000e-03 -1.7542800000e-02 -3.6119000000e-03  9.0530000000e-04  4.8143000000e-03  1.8221000000e-03 -1.2076000000e-03 -2.5526000000e-03  5.9862000000e-03 -6.3113000000e-03 -4.7497000000e-03  1.6013000000e-03  4.9244000000e-03  8.5552000000e-03 -6.5584000000e-03  1.3070400000e-02  1.0050900000e-02 -8.3659000000e-03  2.1204000000e-03 -7.7600000000e-05 -3.9593000000e-03 -1.6387000000e-03 -8.9920000000e-03  1.1759300000e-02 -1.0294000000e-03  1.2244800000e-02  2.6501000000e-03  3.0949000000e-03 -2.6712000000e-03 -8.5918000000e-03  1.5962000000e-02 -1.0728000000e-03  1.8743000000e-03 -6.2778000000e-03 -4.0309000000e-03  1.0675000000e-02  1.0840300000e-02  3.0575000000e-03  1.2847300000e-02 -8.6756000000e-03 -3.9797000000e-03 -2.4154700000e-02 -1.2729800000e-02 -3.2760000000e-04 -9.5028000000e-03 -3.7237000000e-03 -5.0180000000e-04  7.5087000000e-03  6.7476000000e-03 -2.6993000000e-03  3.0219000000e-03 -5.5842000000e-03  1.3147400000e-02  2.8907000000e-03 -7.1032000000e-03  2.8638000000e-03  3.1519000000e-03 -3.1861000000e-03 -1.7097800000e-02 -5.5503000000e-03  4.8302000000e-03 -9.9872000000e-03  4.9767000000e-03  1.8798000000e-03 -4.2461000000e-03 -9.3500000000e-04  4.7516000000e-03  1.4966000000e-02 -2.2671000000e-03 -5.9393000000e-03

JOB 265
COORDS  -9.3188000000e-01  1.3666600000e+00  1.1331200000e+00 -2.9621000000e-01  1.9272300000e+00  6.8823000000e-01 -9.6591000000e-01  1.7054400000e+00  2.0277100000e+00 -1.8164500000e+00 -3.4415800000e+00  4.6064000000e-01 -2.7011100000e+00 -3.5193200000e+00  8.1779000000e-01 -1.8922000000e+00 -2.7789300000e+00 -2.2594000000e-01  2.8213900000e+00  2.2295000000e-01 -1.6577500000e+00  1.9582700000e+00 -1.5124000000e-01 -1.4809900000e+00  3.0797600000e+00 -1.5600000000e-01 -2.4979200000e+00 -1.7309300000e+00  6.6324000000e-01 -1.7528800000e+00 -1.5076700000e+00  1.1390800000e+00 -9.5290000000e-01 -2.3123900000e+00 -3.8570000000e-02 -1.4603100000e+00 -3.5641400000e+00 -1.5833000000e-01 -3.7504800000e+00 -3.4138100000e+00  5.8380000000e-01 -4.3360300000e+00 -2.9479400000e+00 -2.4480000000e-02 -3.0303300000e+00  2.5360000000e+00 -1.7241000000e-01  1.1087100000e+00  2.8243600000e+00 -1.9135000000e-01  1.9618000000e-01  1.6641500000e+00 -5.6720000000e-01  1.0931400000e+00  6.4510000000e-01  1.9550600000e+00  3.6858800000e+00  9.1180000000e-01  2.2541000000e+00  4.5551700000e+00  1.4562300000e+00  1.6542600000e+00  3.2762400000e+00 -3.0568000000e+00 -1.6492500000e+00 -1.2768000000e+00 -2.8420700000e+00 -2.0267200000e+00 -2.1298200000e+00 -4.0134000000e+00 -1.6191300000e+00 -1.2616400000e+00 -1.2610000000e-02 -1.2115900000e+00  7.5049000000e-01 -3.7292000000e-01 -2.0600500000e+00  1.0084100000e+00 -4.9050000000e-01 -5.7596000000e-01  1.2832400000e+00  1.5082000000e+00  2.0264500000e+00  5.6350000000e-02  1.8724800000e+00  1.8276700000e+00 -8.0621000000e-01  1.9285700000e+00  1.3993000000e+00  6.4473000000e-01  3.2112100000e+00  1.5412200000e+00  2.9933000000e+00  3.9752700000e+00  2.0442200000e+00  2.7114700000e+00  3.2304800000e+00  7.5199000000e-01  2.4520200000e+00  4.4186000000e-01 -1.1399900000e+00 -1.7254300000e+00 -2.4487000000e-01 -6.2418000000e-01 -2.1480100000e+00  3.0449000000e-01 -1.0005900000e+00 -7.8845000000e-01
ENERGY -9.171699788930e+02
EMD0 -3.268448680000e+02
FORCES   1.2277000000e-02  6.0789000000e-03 -1.5787000000e-03 -1.7697300000e-02 -1.5892000000e-03  6.0459000000e-03 -1.9430000000e-04 -2.1680000000e-03 -8.6328000000e-03 -6.2225000000e-03  2.8650000000e-04 -6.9789000000e-03  1.4830000000e-04  1.8521000000e-03 -2.8294000000e-03  4.0393000000e-03 -2.6507000000e-03  6.1185000000e-03 -1.0900000000e-02 -7.7432000000e-03 -4.5095000000e-03  1.8242600000e-02  1.1805200000e-02  1.4187700000e-02 -3.1373000000e-03  2.9900000000e-05 -1.5540000000e-04 -4.9185000000e-03 -2.6295000000e-03  6.6505000000e-03 -1.7634000000e-03 -5.8326000000e-03 -5.1494000000e-03  3.5439000000e-03  7.9122000000e-03 -1.4757800000e-02  1.8493000000e-03  5.5812000000e-03  1.6729000000e-03  1.6662000000e-03 -4.1900000000e-04  2.3100000000e-03 -3.2000000000e-04 -8.9509000000e-03  4.0640000000e-03 -4.8336000000e-03  1.1397000000e-03 -1.6697000000e-03 -1.7754800000e-02  5.1489000000e-03  6.8168000000e-03  1.1331800000e-02  1.3106200000e-02 -6.7719000000e-03  1.5829400000e-02  1.4880000000e-03 -2.0756000000e-03  2.0281000000e-03 -1.1022000000e-03 -5.4460000000e-04 -1.0410000000e-02 -4.7435000000e-03  3.5183000000e-03  8.5950000000e-04  7.6870000000e-04  3.9808000000e-03 -2.0156000000e-03  4.8640000000e-03  6.4000000000e-03  4.6947000000e-03 -2.0088000000e-03 -2.8500000000e-03 -1.9636000000e-03  1.7807000000e-03 -2.1182700000e-02 -2.3440000000e-04  1.5865200000e-02  2.5570000000e-03  4.8495000000e-03 -1.9899100000e-02  3.3835000000e-03  1.2789700000e-02 -1.3441900000e-02  6.8089000000e-03 -2.9867000000e-03 -4.6119000000e-03  6.0813000000e-03 -3.6737000000e-03 -2.8300000000e-04 -9.9766000000e-03 -1.0399000000e-02 -3.3615000000e-03 -5.1672000000e-03  2.0818000000e-03 -6.8757000000e-03 -3.0630000000e-03  3.5561000000e-03  1.1656700000e-02  6.3148000000e-03 -1.2735700000e-02 -2.9120000000e-04  2.0024600000e-02  2.2806000000e-03 -7.8756000000e-03  3.0665000000e-03  1.0092800000e-02  7.1136000000e-03 -1.2109100000e-02

JOB 266
COORDS  -1.3435700000e+00  1.7026900000e+00  1.1172300000e+00 -1.0411300000e+00  1.8875900000e+00  2.2809000000e-01 -5.7044000000e-01  1.8345300000e+00  1.6659700000e+00 -2.0297200000e+00 -1.9440300000e+00 -1.9123500000e+00 -2.7193400000e+00 -2.5047000000e+00 -1.5569600000e+00 -2.4069400000e+00 -1.0643400000e+00 -1.9029100000e+00  4.2258600000e+00 -5.2618000000e-01  1.2224000000e-01  3.6863500000e+00 -3.0803000000e-01 -6.3774000000e-01  4.7848700000e+00 -1.2428200000e+00 -1.7805000000e-01 -4.1055300000e+00  2.0742100000e+00  3.6721000000e-01 -3.1909100000e+00  1.9948800000e+00  6.3816000000e-01 -4.5624700000e+00  2.3790400000e+00  1.1511200000e+00 -3.1373200000e+00  7.1070000000e-01 -2.0585400000e+00 -3.2798500000e+00  1.2437900000e+00 -1.2764000000e+00 -3.5235200000e+00  1.2209400000e+00 -2.7703900000e+00  2.0973500000e+00 -2.3919700000e+00  1.6512000000e+00  2.8990800000e+00 -1.9332400000e+00  1.4001400000e+00  1.5030200000e+00 -2.2580800000e+00  9.1290000000e-01  9.6643000000e-01  2.3111700000e+00  2.1817300000e+00  1.0894200000e+00  2.8072800000e+00  2.9910300000e+00  1.7078100000e+00  1.7062500000e+00  2.1560300000e+00 -3.1982700000e+00 -4.2956600000e+00 -3.8029000000e-01 -3.8158200000e+00 -4.5343700000e+00 -1.0715700000e+00 -3.0939700000e+00 -5.0955200000e+00  1.3504000000e-01  4.8234000000e-01 -1.1185400000e+00 -6.6787000000e-01 -8.6520000000e-02 -1.7036000000e+00 -1.1682100000e+00 -8.4730000000e-02 -3.8952000000e-01 -4.1648000000e-01  4.4150000000e-01  2.3405400000e+00 -9.2793000000e-01  1.3260900000e+00  1.9748600000e+00 -9.2397000000e-01  4.5663000000e-01  3.0127000000e+00 -2.4659000000e-01  3.3929600000e+00  6.9586000000e-01  2.4072700000e+00  3.7615100000e+00  3.4492000000e-01  1.5965700000e+00  2.8902300000e+00 -3.0250000000e-02  2.7764000000e+00  2.2604700000e+00  4.3819000000e-01 -1.8565100000e+00  1.8371200000e+00  9.0973000000e-01 -2.5739000000e+00  1.6139200000e+00 -2.1217000000e-01 -1.5822300000e+00
ENERGY -9.171649834434e+02
EMD0 -3.145274840000e+02
FORCES   2.4123500000e-02  3.4066000000e-03  1.0713300000e-02 -4.3154000000e-03  4.0362000000e-03  6.3545000000e-03 -7.5424000000e-03 -1.2191000000e-03 -9.7966000000e-03 -4.6253000000e-03  2.2980000000e-03 -6.3240000000e-04 -5.7983000000e-03  7.5443000000e-03 -6.8685000000e-03  3.3361000000e-03 -1.4179300000e-02  5.7197000000e-03 -2.8170000000e-04  9.8185000000e-03  1.1472000000e-03  8.3948000000e-03 -1.0976900000e-02  8.4160000000e-03 -5.7002000000e-03  4.1780000000e-04 -4.4921000000e-03  2.3512000000e-03 -2.5220000000e-03  3.8752000000e-03 -1.3364600000e-02  2.3103000000e-03 -1.1194300000e-02  4.5004000000e-03  5.5600000000e-04  2.1002000000e-03 -3.8703000000e-03 -3.7830000000e-04  3.0688000000e-03  7.1948000000e-03  1.1730000000e-03 -7.6854000000e-03 -3.4810000000e-04  3.2921000000e-03  3.5803000000e-03 -3.0997000000e-03 -5.4310000000e-04 -3.8475000000e-03 -4.7871000000e-03 -1.0175000000e-03  2.4760000000e-03  7.8810000000e-03 -3.3732000000e-03  4.2116000000e-03  9.2570000000e-04 -7.7193000000e-03 -5.0220000000e-03  2.2053000000e-03 -3.4391000000e-03 -5.9270000000e-04 -1.6169900000e-02  8.1737000000e-03  4.1553000000e-03  4.3848000000e-03  1.4458000000e-03  4.1302000000e-03  3.0484000000e-03 -2.5380000000e-04  3.1552000000e-03 -4.7752000000e-03 -1.0237000000e-03 -4.8747000000e-03 -7.5477000000e-03 -1.1531000000e-03 -1.4003000000e-03  1.2763900000e-02  8.0458000000e-03  5.6483000000e-03  4.4011000000e-03 -2.9422000000e-03 -7.2349000000e-03  4.7867000000e-03 -6.1079000000e-03 -1.4120000000e-03 -7.3449000000e-03  8.9902000000e-03  1.1809000000e-03 -1.9421000000e-03 -6.7888000000e-03 -1.9030000000e-03  1.6367100000e-02 -5.6031000000e-03 -7.7372000000e-03 -9.1841000000e-03  6.9240000000e-04  1.0405200000e-02 -3.1360000000e-04  5.0506000000e-03 -6.2484000000e-03 -1.0181000000e-02 -1.2525600000e-02  3.3892000000e-03 -6.2310000000e-03 -1.6152000000e-03  6.9594000000e-03  1.0757700000e-02  1.6129700000e-02 -9.7448000000e-03

JOB 267
COORDS  -8.4611000000e-01  2.9325000000e+00 -2.0769000000e-01 -9.2350000000e-02  2.9336100000e+00  3.8228000000e-01 -1.2936600000e+00  3.7590700000e+00 -2.6810000000e-02 -1.6480300000e+00 -9.3724000000e-01  1.1354500000e+00 -1.7218400000e+00 -1.8814600000e+00  9.9675000000e-01 -7.5322000000e-01 -7.2491000000e-01  8.7003000000e-01  2.5853100000e+00 -1.0311300000e+00  7.5027000000e-01  1.8784200000e+00 -6.4860000000e-01  2.3046000000e-01  3.2650900000e+00 -1.2442100000e+00  1.1096000000e-01 -4.0298600000e+00 -3.1868000000e-01 -2.9521300000e+00 -3.3747900000e+00  1.6597000000e-01 -2.4499100000e+00 -3.6236600000e+00 -1.1693100000e+00 -3.1184700000e+00 -6.0582800000e+00 -3.9958000000e-01 -1.0103600000e+00 -5.7957500000e+00  4.2641000000e-01 -6.0410000000e-01 -5.4508900000e+00 -5.1101000000e-01 -1.7417300000e+00  2.2974400000e+00 -3.6668800000e+00  2.4832000000e-01  2.4504900000e+00 -2.7646900000e+00  5.2917000000e-01  2.9041800000e+00 -4.1881000000e+00  7.7409000000e-01  4.4677500000e+00  2.3292000000e+00  1.7938600000e+00  5.3440700000e+00  2.4742300000e+00  2.1505900000e+00  4.0904600000e+00  1.6499700000e+00  2.3529000000e+00  6.7137000000e-01 -2.7110000000e+00 -1.8537400000e+00  3.0167000000e-01 -3.4418500000e+00 -2.3491200000e+00  1.3166900000e+00 -3.1159200000e+00 -1.2742300000e+00 -2.5925800000e+00  6.9437000000e-01 -8.7892000000e-01 -2.5426400000e+00  2.2670000000e-01 -4.5240000000e-02 -2.0464200000e+00  1.4701500000e+00 -7.5199000000e-01  1.8085600000e+00  2.5728600000e+00  6.8802000000e-01  1.6928500000e+00  2.1756100000e+00 -1.7514000000e-01  2.7337000000e+00  2.8167200000e+00  7.1790000000e-01  2.6866000000e+00  7.1193000000e-01  3.1164400000e+00  2.6105800000e+00 -4.4690000000e-02  2.5350800000e+00  2.1304200000e+00  1.3797000000e+00  2.7152200000e+00  4.0203000000e-01 -1.2752000000e-01 -7.8921000000e-01  4.9196000000e-01 -8.0959000000e-01 -1.4547400000e+00 -4.4169000000e-01  2.8293000000e-01 -9.7870000000e-01
ENERGY -9.171660887174e+02
EMD0 -3.207175090000e+02
FORCES   7.5798000000e-03  4.8700000000e-05  7.1400000000e-04 -1.0169800000e-02  2.4316000000e-03 -5.1116000000e-03  4.3437000000e-03 -9.3310000000e-04  3.8043000000e-03  1.9058000000e-03  6.1660000000e-04 -2.0871000000e-03  4.6567000000e-03  2.4772000000e-03 -7.7530000000e-04 -8.0674000000e-03 -1.9952000000e-03  1.4660000000e-03 -7.7773000000e-03  7.9485000000e-03 -1.4070000000e-04  1.5976300000e-02 -1.0736400000e-02  1.8831000000e-03 -1.0828000000e-02 -1.0196600000e-02 -2.3390000000e-04  2.5093000000e-03  8.6158000000e-03  9.1193000000e-03 -2.9585000000e-03 -8.2312000000e-03 -1.2720900000e-02  2.1083000000e-03  2.6710000000e-03  3.0816000000e-03  5.9206000000e-03 -1.4290000000e-04 -8.9614000000e-03  9.0830000000e-04 -1.0516000000e-03 -1.9472000000e-03 -6.4449000000e-03  1.4470000000e-04  1.0451200000e-02 -4.8498000000e-03  7.8372000000e-03  3.9123000000e-03  8.8288000000e-03 -9.7235000000e-03 -1.0673500000e-02  2.1981000000e-03  8.2701000000e-03  2.8296000000e-03 -8.6319000000e-03 -5.5945000000e-03  6.0773000000e-03 -2.1339000000e-03 -5.9767000000e-03  4.0560000000e-03  1.2189600000e-02  1.0232800000e-02 -8.0584000000e-03  1.7741000000e-03 -2.7820000000e-03  5.2665000000e-03  3.8077000000e-03 -3.1643000000e-03  3.5381000000e-03 -6.2654000000e-03  6.4655000000e-03 -9.7869000000e-03 -7.8535000000e-03 -3.9656000000e-03  9.9220000000e-03  4.4689000000e-03  1.3565100000e-02 -9.3026000000e-03 -8.7770000000e-04 -1.6157100000e-02 -6.5570000000e-04  6.6462000000e-03  3.3332000000e-03  3.7142000000e-03  1.6860000000e-03  6.6187000000e-03  3.5639000000e-03 -1.1032700000e-02 -4.6374000000e-03 -9.8592000000e-03 -4.4116000000e-03 -2.9474000000e-03 -8.3980000000e-04 -1.3996000000e-03  7.6014000000e-03  4.8685000000e-03  7.1189000000e-03 -4.6273000000e-03  1.1110000000e-03 -8.1240000000e-03 -4.3237000000e-03 -3.8189000000e-03  1.9420000000e-04  1.4794200000e-02  5.8809000000e-03  7.0046000000e-03 -6.4862000000e-03 -2.8680000000e-04

JOB 268
COORDS  -1.8848200000e+00  2.2152800000e+00  3.8270000000e-02 -9.3992000000e-01  2.2037800000e+00  1.9082000000e-01 -1.9782800000e+00  2.0550000000e+00 -9.0077000000e-01 -1.9802000000e+00  2.4952900000e+00  2.8207500000e+00 -1.8211000000e+00  2.7508700000e+00  1.9121200000e+00 -2.7956700000e+00  1.9949900000e+00  2.7900500000e+00  2.1531900000e+00 -1.7360000000e-01 -1.5930800000e+00  1.2508500000e+00 -4.6557000000e-01 -1.7225800000e+00  2.1797900000e+00  7.0205000000e-01 -1.9787800000e+00 -3.0020300000e+00 -1.5233200000e+00 -1.5888400000e+00 -3.2481100000e+00 -1.2920000000e+00 -6.9320000000e-01 -2.0855300000e+00 -1.7917700000e+00 -1.5241800000e+00 -2.5537200000e+00  1.3726500000e+00 -2.5553200000e+00 -3.1060200000e+00  1.5766400000e+00 -3.3100200000e+00 -2.8126100000e+00  4.8695000000e-01 -2.3008800000e+00  3.5003600000e+00 -2.5499300000e+00 -1.4731000000e+00  3.0975700000e+00 -1.6828800000e+00 -1.4259500000e+00  4.0997900000e+00 -2.4959200000e+00 -2.2174100000e+00  1.5863100000e+00  3.3670100000e+00  3.1390800000e+00  8.5273000000e-01  3.0108800000e+00  3.6403500000e+00  1.7070900000e+00  4.2510500000e+00  3.4856400000e+00  1.4551300000e+00 -4.1096200000e+00 -8.0529000000e-01  1.8866800000e+00 -4.9039900000e+00 -4.9070000000e-01  2.1703100000e+00 -3.5561700000e+00 -1.1190500000e+00 -1.7512300000e+00 -4.8182000000e-01  1.1976900000e+00 -1.1113000000e+00 -4.1263000000e-01  1.9061600000e+00 -1.9172300000e+00  4.2352000000e-01  9.3497000000e-01  6.9445000000e-01  1.9833000000e+00  8.7670000000e-01  1.1610100000e+00  1.2177300000e+00  1.2120400000e+00  1.1418800000e+00  2.7302300000e+00  1.2743700000e+00  1.9016000000e+00 -8.1103000000e-01  1.1984700000e+00  2.0604100000e+00 -1.7549500000e+00  1.1945000000e+00  2.0584700000e+00 -5.3747000000e-01  2.9471000000e-01 -2.1072000000e-01 -1.7963900000e+00 -1.2284800000e+00  2.0207000000e-01 -2.6589900000e+00 -1.1865100000e+00 -5.8420000000e-01 -1.6663900000e+00 -3.5680000000e-01
ENERGY -9.171825904967e+02
EMD0 -3.460115140000e+02
FORCES   1.8535000000e-03  5.0658000000e-03 -6.2439000000e-03 -1.6584800000e-02  9.2390000000e-04 -5.0039000000e-03  1.2733100000e-02 -1.8340000000e-03  1.3006700000e-02 -2.3986000000e-03  1.2585000000e-03 -7.6679000000e-03  1.6854000000e-03 -2.2529000000e-03  5.2045000000e-03  1.7677000000e-03  2.6020000000e-04 -1.5259000000e-03 -4.8400000000e-04 -4.8687000000e-03  1.0553000000e-03  1.6058500000e-02  1.2058900000e-02 -1.8007000000e-03 -7.1962000000e-03 -3.4931000000e-03 -2.3599000000e-03  8.1833000000e-03 -1.1317900000e-02  6.2240000000e-04  3.5334000000e-03  1.1317000000e-03 -5.0440000000e-03 -9.5187000000e-03  2.8753000000e-03  8.0504000000e-03  5.5080000000e-04 -2.9080000000e-03  2.0432000000e-03 -1.4102000000e-03 -5.9924000000e-03  7.5840000000e-04 -1.0443000000e-03  1.6496800000e-02 -4.7577000000e-03 -6.6759000000e-03  3.5756000000e-03  1.0623000000e-03  2.9270000000e-03 -1.4469600000e-02  6.7610000000e-04 -1.1489000000e-03  5.4476000000e-03  8.2450000000e-04  7.1390000000e-04 -4.0944000000e-03 -4.3640000000e-04  5.4730000000e-03  6.4886000000e-03  1.1701000000e-03 -3.9421000000e-03 -2.9162000000e-03  1.7832000000e-03  9.2716000000e-03  3.0589000000e-03 -5.2777000000e-03  6.0602000000e-03  3.0699000000e-03 -1.6657000000e-03 -1.4213500000e-02 -4.9208000000e-03  7.3890000000e-03 -2.7826000000e-03  1.1046800000e-02  1.0928000000e-03 -2.2053000000e-03  2.4243000000e-03 -2.8441000000e-03  3.1124000000e-03 -1.2883400000e-02  8.9698000000e-03 -2.2017000000e-03 -2.3930000000e-04  8.1558000000e-03  1.9752000000e-03  9.0292000000e-03 -2.4987000000e-03 -7.7910000000e-04 -6.9304000000e-03 -7.8387000000e-03  2.2714000000e-03 -2.4400000000e-05 -3.0473000000e-03  9.8400000000e-04  3.2995000000e-03 -5.2892000000e-03 -2.4681000000e-03 -6.1052000000e-03  9.1564000000e-03 -7.5600000000e-04 -4.7122000000e-03  2.8442000000e-03 -3.3052000000e-03  1.3853200000e-02  2.1276000000e-03 -3.9100000000e-05 -1.1401600000e-02 -1.2691200000e-02

JOB 269
COORDS  -1.7566700000e+00  9.5928000000e-01  1.6475500000e+00 -8.6608000000e-01  1.0512400000e+00  1.9861100000e+00 -1.7419000000e+00  1.4156100000e+00  8.0626000000e-01 -1.8798400000e+00  3.8455500000e+00  2.0411700000e+00 -2.4022800000e+00  4.2600100000e+00  1.3545000000e+00 -2.1942500000e+00  2.9419000000e+00  2.0694900000e+00  1.0177200000e+00 -1.2338000000e+00 -1.5842900000e+00  7.3583000000e-01 -2.1138300000e+00 -1.8339100000e+00  4.5256000000e-01 -1.0006500000e+00 -8.4776000000e-01 -1.3192300000e+00 -2.3371000000e-01 -3.0850300000e+00 -1.7940700000e+00 -1.0293800000e+00 -2.8448900000e+00 -3.9632000000e-01 -4.8515000000e-01 -3.0498100000e+00 -2.4995300000e+00  1.4287100000e+00 -1.3408600000e+00 -3.3918600000e+00  1.4218000000e+00 -1.6871700000e+00 -2.0145500000e+00  8.3626000000e-01 -1.9153600000e+00  2.2304700000e+00 -2.4043500000e+00  7.1359000000e-01  1.9204600000e+00 -1.9567400000e+00 -7.3660000000e-02  2.7263000000e+00 -1.7378200000e+00  1.1891100000e+00  1.0934800000e+00  4.0521700000e+00  2.3281700000e+00  2.0153000000e-01  4.2238500000e+00  2.0261900000e+00  9.9223000000e-01  3.3890000000e+00  3.0109400000e+00  5.3779000000e-01 -4.0565700000e+00 -1.5215400000e+00  8.7186000000e-01 -4.6377600000e+00 -8.3828000000e-01  4.9103000000e-01 -4.6071100000e+00 -2.3031700000e+00 -6.9276000000e-01 -1.3264800000e+00  6.0539000000e-01 -1.7377000000e-01 -1.6183700000e+00  1.3548400000e+00 -1.3126900000e+00 -6.9681000000e-01  9.7341000000e-01  1.1921300000e+00  1.5273300000e+00  1.3392500000e+00  2.0841400000e+00  1.3150400000e+00  1.0645000000e+00  1.2121300000e+00  2.4683900000e+00  1.5131700000e+00  4.0091900000e+00  4.8566000000e-01  3.8310000000e-01  3.7056200000e+00 -2.7579000000e-01 -1.1115000000e-01  4.6793200000e+00  8.8173000000e-01 -1.7393000000e-01 -1.9705900000e+00 -2.9412900000e+00 -1.4952300000e+00 -1.1347400000e+00 -3.3818600000e+00 -1.3420400000e+00 -2.0361700000e+00 -2.2986800000e+00 -7.8884000000e-01
ENERGY -9.171634119477e+02
EMD0 -3.121215740000e+02
FORCES   4.2373000000e-03 -2.5259000000e-03 -6.0513000000e-03 -1.1043800000e-02 -9.3500000000e-04 -1.0984000000e-03  3.1562000000e-03  2.3137000000e-03  1.6265900000e-02 -2.8870000000e-03 -5.3444000000e-03  3.6037000000e-03 -5.5950000000e-04 -5.4496000000e-03  1.1379000000e-03  6.9700000000e-05  1.0285400000e-02 -5.8018000000e-03 -9.4854000000e-03 -2.3677000000e-03  6.5880000000e-03 -2.5731000000e-03  9.1830000000e-03 -5.9600000000e-05  1.5023300000e-02 -8.1097000000e-03 -8.1495000000e-03  5.7013000000e-03  1.2297000000e-03  2.0830000000e-03  3.2138000000e-03  1.1245600000e-02  8.4700000000e-04 -8.8007000000e-03 -4.0022000000e-03 -4.5849000000e-03  1.0676400000e-02 -7.4828000000e-03 -1.5608300000e-02  2.4212000000e-03 -3.4183000000e-03 -2.4246000000e-03 -1.5727600000e-02  3.8695000000e-03  1.0800700000e-02 -2.7672000000e-03 -8.6090000000e-04 -7.9313000000e-03  3.7019000000e-03 -1.3900000000e-05  1.4072500000e-02 -2.6336000000e-03  2.4684000000e-03 -8.2021000000e-03 -4.1333000000e-03  5.5641000000e-03  1.8621000000e-03  1.2464200000e-02 -5.3085000000e-03  5.1940000000e-04 -7.5690000000e-04 -5.0348000000e-03 -1.1069300000e-02 -1.3580000000e-04  8.0458000000e-03  4.4888000000e-03 -3.6459000000e-03 -5.2684000000e-03 -8.3124000000e-03  9.3360000000e-04 -9.5980000000e-04  6.0636000000e-03 -3.7082000000e-03  1.1043600000e-02  3.2420000000e-03 -6.1415000000e-03  6.1463000000e-03  1.2021000000e-03  9.1468000000e-03 -1.4851000000e-02 -1.1997000000e-03  5.5547000000e-03  1.1265800000e-02 -2.1277000000e-03 -6.7316000000e-03  6.9673000000e-03  3.6290000000e-03 -1.3700000000e-03 -1.2290700000e-02  4.5991000000e-03  3.9653000000e-03  2.0182000000e-03  4.1470000000e-04  2.3676000000e-03  3.2165000000e-03  3.0441000000e-03 -1.8110000000e-03 -5.4065000000e-03 -1.8357000000e-03  8.9392000000e-03 -8.8439000000e-03  7.7877000000e-03 -5.8749000000e-03  4.3399000000e-03 -1.1688000000e-03 -7.8560000000e-04 -7.2870000000e-04 -6.6259000000e-03

JOB 270
COORDS  -1.3225900000e+00 -1.5481000000e-01  1.5096000000e-01 -1.1877900000e+00  6.2373000000e-01  6.9128000000e-01 -1.6123700000e+00  1.8726000000e-01 -6.9477000000e-01  2.6354800000e+00  3.8647200000e+00  3.7057200000e+00  3.3629800000e+00  3.9736600000e+00  3.0932500000e+00  2.6504300000e+00  2.9350600000e+00  3.9331700000e+00  1.1408700000e+00 -1.5273400000e+00 -6.5045000000e-01  6.5205000000e-01 -2.1954500000e+00 -1.1309800000e+00  4.8563000000e-01 -1.1018800000e+00 -9.7400000000e-02 -8.2971000000e-01  1.1212000000e-01 -2.9593300000e+00 -1.3200100000e+00 -7.0949000000e-01 -2.9310600000e+00 -1.1140000000e-02 -8.1050000000e-02 -2.5023100000e+00  5.8303000000e-01  2.4454700000e+00 -3.9743600000e+00  7.1410000000e-02  1.6692700000e+00 -3.7463400000e+00  1.3405400000e+00  2.1027800000e+00 -4.4486800000e+00  2.2703700000e+00 -3.3506600000e+00  5.9936000000e-01  3.0655400000e+00 -3.5973900000e+00  1.2707000000e-01  1.9098700000e+00 -2.6199200000e+00  9.7060000000e-02 -3.5464000000e-01  3.9820900000e+00  3.6844100000e+00  5.8055000000e-01  4.1649600000e+00  3.7750100000e+00 -7.7582000000e-01  4.5684700000e+00  4.3128800000e+00  1.7837000000e-01 -5.2059100000e+00  1.3176500000e+00  4.4936000000e-01 -4.3141100000e+00  1.0997500000e+00  9.4396000000e-01 -5.5922300000e+00  1.7429200000e+00 -2.8688500000e+00 -2.4899000000e+00 -1.8294000000e-01 -2.6350400000e+00 -3.1273300000e+00  4.9178000000e-01 -2.4136100000e+00 -1.6886400000e+00  7.5840000000e-02 -8.8899000000e-01  2.3707300000e+00  1.4120900000e+00 -2.4318000000e-01  2.6695500000e+00  7.7189000000e-01 -6.8058000000e-01  2.8585600000e+00  2.2088500000e+00  3.7058000000e-01  2.9441300000e+00 -9.4733000000e-01  2.5300000000e-03  2.7409300000e+00 -1.8072600000e+00  1.0459000000e+00  3.5990700000e+00 -1.1240000000e+00 -1.0793100000e+00 -3.0102000000e+00 -2.1440900000e+00 -1.3523700000e+00 -3.7537600000e+00 -2.6814800000e+00 -1.6900800000e+00 -3.0096300000e+00 -1.4070800000e+00
ENERGY -9.171571969704e+02
EMD0 -2.972049080000e+02
FORCES  -5.7200000000e-04  1.4476600000e-02  9.1357000000e-03 -8.0090000000e-04 -1.4884400000e-02 -1.7566300000e-02 -6.8890000000e-04 -2.9083000000e-03  6.8891000000e-03  1.9282000000e-03  3.8041000000e-03  5.8590000000e-04 -1.1220000000e-04 -6.1558000000e-03  2.3758000000e-03  2.2481000000e-03  3.4010000000e-03 -4.1273000000e-03  5.2013000000e-03 -7.1985000000e-03  1.3251800000e-02  1.0160600000e-02  3.7208000000e-03  1.3587200000e-02  8.4826000000e-03 -1.0967600000e-02 -5.0797000000e-03 -3.6933000000e-03 -6.0472000000e-03 -6.3185000000e-03  3.3207000000e-03  7.5223000000e-03  5.3516000000e-03 -5.9522000000e-03  4.1754000000e-03 -5.4748000000e-03 -4.2118000000e-03 -8.3190000000e-04 -3.9576000000e-03  1.3194900000e-02  6.5384000000e-03  3.7435000000e-03 -3.2353000000e-03 -3.9319000000e-03  1.5005000000e-03 -1.3740300000e-02  2.2518100000e-02 -1.0975000000e-02 -2.0816000000e-03  5.7018000000e-03 -3.7346000000e-03  1.3696000000e-03 -1.6986000000e-02 -1.6769000000e-03 -1.8771000000e-03 -2.6549000000e-03 -4.1931000000e-03 -1.2656600000e-02  1.0316000000e-03  4.3534000000e-03  7.9389000000e-03  1.7812000000e-03  1.7976000000e-03  8.9702000000e-03  2.6971000000e-03 -2.5361000000e-03 -8.8488000000e-03 -1.2459000000e-03  2.8672000000e-03 -1.1412000000e-03  4.0400000000e-05  5.7000000000e-04 -5.6012000000e-03  1.3032800000e-02  1.4104000000e-03  5.7848000000e-03  4.6717000000e-03 -5.0242000000e-03 -2.5044000000e-03 -1.6911800000e-02 -5.2238000000e-03 -3.6021000000e-03  9.9817000000e-03  1.8410000000e-03  7.6440000000e-04 -1.8486000000e-03  1.4924000000e-02  8.8013000000e-03 -2.5006000000e-03 -1.3908000000e-02 -5.0853000000e-03 -2.5593000000e-03 -1.2352000000e-03  1.8304000000e-03  1.0133000000e-03  3.7796000000e-03 -1.6530000000e-03 -4.4220000000e-04 -3.8700000000e-05 -1.1962200000e-02 -1.9224000000e-03  1.0174200000e-02 -4.9689000000e-03  7.3590000000e-04  4.3632000000e-03  1.4993600000e-02 -6.8467000000e-03 -1.1431900000e-02

JOB 271
COORDS   2.5856000000e-01  5.4570000000e-02  4.5022000000e-01  4.1392000000e-01  5.0472000000e-01  1.2805600000e+00 -6.0660000000e-02  7.3908000000e-01 -1.3779000000e-01  2.2457000000e-01  3.6846500000e+00  3.4625300000e+00  6.2106000000e-01  3.1993800000e+00  4.1861000000e+00 -4.8706000000e-01  4.1804300000e+00  3.8675000000e+00  1.7225700000e+00 -2.1390600000e+00 -3.4915000000e-01  1.0951900000e+00 -2.4134000000e+00 -1.0180100000e+00  1.3712000000e+00 -1.3139400000e+00 -1.4560000000e-02 -6.6053000000e-01  1.3221000000e-01 -2.6432800000e+00 -1.2080500000e+00 -3.2903000000e-01 -2.0078900000e+00 -2.8949000000e-01 -5.6146000000e-01 -3.1886200000e+00 -1.5555000000e-01  2.6218900000e+00 -3.1952400000e+00 -2.5020000000e-01  1.7023200000e+00 -2.9469000000e+00  7.7741000000e-01  2.7250200000e+00 -3.3828000000e+00  1.1526400000e+00 -3.2688900000e+00  1.9855200000e+00  1.9257200000e+00 -2.9343400000e+00  1.5309300000e+00  1.0555700000e+00 -2.6968100000e+00  2.7467900000e+00  1.7065900000e+00  3.5394500000e+00  1.1766000000e+00  1.2774600000e+00  3.7889500000e+00  1.9950300000e+00  9.9527000000e-01  3.4901600000e+00  5.3798000000e-01 -1.1174200000e+00 -3.8195100000e+00  6.5812000000e-01 -3.5404000000e-01 -3.5617900000e+00  1.1749100000e+00 -1.1310500000e+00 -4.7751900000e+00  7.1036000000e-01 -1.7334200000e+00 -1.3336300000e+00 -8.1827000000e-01 -1.9511800000e+00 -2.2017800000e+00 -4.7898000000e-01 -1.2258700000e+00 -9.2280000000e-01 -1.1838000000e-01  8.7288000000e-01  1.1859600000e+00  2.6621000000e+00  1.6806700000e+00  1.5461400000e+00  2.2960600000e+00  3.9381000000e-01  1.9496200000e+00  2.9838900000e+00 -7.1273000000e-01  2.7139800000e+00 -3.2809000000e-01 -1.3325400000e+00  3.4141400000e+00 -1.2358000000e-01 -4.9164000000e-01  2.8507000000e+00 -1.2493200000e+00 -1.4767800000e+00 -3.4596700000e+00 -3.1882700000e+00 -1.9297200000e+00 -4.0807200000e+00 -3.7586700000e+00 -2.1739200000e+00 -2.9098700000e+00 -2.8305700000e+00
ENERGY -9.171531742656e+02
EMD0 -2.860625710000e+02
FORCES   6.6882000000e-03  1.0507800000e-02  1.8116600000e-02  2.6662000000e-03 -1.7322000000e-03 -1.6954800000e-02 -1.5678000000e-03 -6.6277000000e-03  5.5689000000e-03  5.1315000000e-03  9.6490000000e-04 -1.2625800000e-02 -7.9369000000e-03 -3.7640000000e-03 -7.6189000000e-03  3.8540000000e-03 -5.1568000000e-03  4.4532000000e-03 -1.0940800000e-02  4.3242000000e-03  6.5947000000e-03  1.7658000000e-03  5.5053000000e-03 -3.6300000000e-05  6.5621000000e-03 -1.2521200000e-02 -1.0767000000e-03 -1.1059500000e-02 -3.2724000000e-03  1.2512700000e-02  1.0512300000e-02  8.5038000000e-03 -7.2742000000e-03 -2.2162000000e-03  1.7900000000e-05  1.8569000000e-03 -9.5409000000e-03 -2.0051900000e-02 -8.2719000000e-03  1.1717200000e-02  2.0573600000e-02  2.5416000000e-03 -1.6403000000e-03 -5.6859000000e-03  3.1237000000e-03 -1.2455000000e-03 -9.8880000000e-04 -2.0265100000e-02  1.7917000000e-03  2.1335000000e-03  1.7995300000e-02  3.3139000000e-03  1.3550000000e-03 -5.1384000000e-03 -8.7545000000e-03  2.5420000000e-04 -9.7820000000e-04  8.9360000000e-04 -7.1867000000e-03 -2.3569000000e-03  4.6020000000e-03  7.4607000000e-03  6.8046000000e-03  1.5979000000e-02  3.5542000000e-03  5.1591000000e-03 -1.5484000000e-02 -7.5281000000e-03 -2.9586000000e-03  3.2698000000e-03  7.2940000000e-04  3.8742000000e-03  1.2358000000e-02  2.8779000000e-03 -9.1670000000e-04 -2.6905000000e-03  1.1682300000e-02 -7.8270000000e-04 -1.0035700000e-02 -4.0359000000e-03 -1.0487200000e-02 -7.6596000000e-03  6.1284000000e-03 -1.2858000000e-02 -7.0348000000e-03 -5.0167000000e-03  4.7155000000e-03  9.9667000000e-03  2.3277000000e-03  9.6973000000e-03 -3.9608000000e-03 -6.1981000000e-03 -9.6148000000e-03  5.1292000000e-03  2.5604000000e-03 -3.1454000000e-03 -2.8785000000e-03  6.7940000000e-04  2.0240800000e-02  2.6197000000e-03 -7.0980000000e-04  2.6655000000e-03 -2.6223000000e-03  3.6365000000e-03  2.8822000000e-03 -1.5526000000e-03 -5.3009000000e-03 -5.4423000000e-03

JOB 272
COORDS   1.7962900000e+00  1.0168100000e+00  9.0425000000e-01  2.1913500000e+00  1.5934500000e+00  1.5582000000e+00  1.1503600000e+00  1.5655200000e+00  4.5936000000e-01  1.1802600000e+00  1.2097000000e+00  4.2136200000e+00  1.3268900000e+00  2.1418800000e+00  4.0530500000e+00  6.8622000000e-01  9.0957000000e-01  3.4506800000e+00  7.4106000000e-01 -1.6222600000e+00  2.6833000000e-01  4.6709000000e-01 -1.3785100000e+00 -6.1584000000e-01  1.3099600000e+00 -9.0562000000e-01  5.4942000000e-01 -3.6488000000e-01 -4.4644000000e-01 -2.1755900000e+00 -1.1535700000e+00 -6.7423000000e-01 -1.6833500000e+00 -3.3433000000e-01 -1.0844100000e+00 -2.8885400000e+00  1.9583300000e+00  7.6706000000e-01 -3.3820000000e+00  1.3559100000e+00  2.4110000000e-02 -3.3454300000e+00  2.7420900000e+00  4.6329000000e-01 -2.9240900000e+00 -4.7274000000e-01 -4.1099300000e+00  1.3683100000e+00  1.2627000000e-01 -3.3642700000e+00  1.3307800000e+00  1.8500000000e-03 -4.8209200000e+00  9.3762000000e-01 -9.3735000000e-01  3.9227400000e+00  9.3218000000e-01 -1.8387000000e+00  4.2399500000e+00  9.8842000000e-01 -8.8573000000e-01  3.4969500000e+00  7.6450000000e-02 -3.3142100000e+00 -3.3070500000e+00  1.4809900000e+00 -2.3832800000e+00 -3.5170100000e+00  1.5552800000e+00 -3.6981100000e+00 -3.6261300000e+00  2.2977200000e+00 -2.1418700000e+00 -1.2124200000e+00 -2.8949000000e-01 -2.6597600000e+00 -1.8621800000e+00  1.8573000000e-01 -1.3384100000e+00 -1.1242700000e+00  2.2326000000e-01  1.5207700000e+00  3.8696700000e+00  2.2358900000e+00  7.5164000000e-01  3.8800000000e+00  1.6661800000e+00  1.5188200000e+00  4.7291100000e+00  2.6573100000e+00  4.7660000000e-02  2.0923900000e+00 -1.1938300000e+00 -4.7341000000e-01  1.2957800000e+00 -1.2945400000e+00  6.8124000000e-01  2.0569200000e+00 -1.9104500000e+00  1.1070000000e-02 -2.1529900000e+00 -4.2177400000e+00  3.4257000000e-01 -2.9242000000e+00 -4.6777200000e+00 -2.6043000000e-01 -1.5559900000e+00 -4.9149600000e+00
ENERGY -9.171629516071e+02
EMD0 -3.121626790000e+02
FORCES   8.7100000000e-04  3.8699000000e-03 -4.1229000000e-03 -5.8448000000e-03 -1.2940000000e-04 -4.9183000000e-03  5.9303000000e-03 -2.8237000000e-03  1.2249900000e-02  7.4340000000e-04  1.9440000000e-04  1.3350000000e-04 -2.2383000000e-03 -5.8716000000e-03  1.3221000000e-03  9.3940000000e-04  3.8084000000e-03  2.2011000000e-03  5.7605000000e-03  6.3531000000e-03 -5.6646000000e-03 -2.4578000000e-03  9.6380000000e-04  1.2267800000e-02 -6.4707000000e-03 -9.9721000000e-03 -8.5649000000e-03 -5.3126000000e-03 -2.0682000000e-03 -3.8996000000e-03  1.9293500000e-02  4.7192000000e-03 -4.1855000000e-03 -2.7329000000e-03  9.9590000000e-03  2.7163000000e-03 -1.3464000000e-03 -1.4780000000e-03 -2.8500000000e-05  4.3333000000e-03 -9.1340000000e-04 -2.1306000000e-03 -3.9180000000e-03 -2.7764000000e-03 -1.4709000000e-03  1.2342000000e-03  2.1902000000e-03 -2.6122000000e-03 -2.2527000000e-03 -1.2819600000e-02  3.5467000000e-03  4.4578000000e-03  3.5875000000e-03  7.3220000000e-04  5.2405000000e-03 -1.1326000000e-03  2.9628000000e-03 -1.4560000000e-04 -3.4425000000e-03 -7.2504000000e-03 -9.1875000000e-03  8.3481000000e-03  9.9979000000e-03  3.7000000000e-06 -3.5530000000e-03 -7.5860000000e-04 -1.3644700000e-02  9.2570000000e-03  3.6694000000e-03  5.7521000000e-03 -2.8461000000e-03  3.9600000000e-04 -5.7646000000e-03 -6.3468000000e-03  2.4225000000e-03  1.3341600000e-02  4.9827000000e-03 -4.4860000000e-04 -6.1987000000e-03  1.3051000000e-03 -9.5585000000e-03 -7.1413000000e-03  3.2939000000e-03 -6.0989000000e-03  1.2468800000e-02  6.1510000000e-04  3.2588000000e-03 -3.8773000000e-03 -5.3880000000e-04 -1.7047000000e-03  4.2907000000e-03 -9.4538000000e-03 -1.4074400000e-02 -1.0833000000e-03  2.8017000000e-03  5.6048000000e-03 -5.4949000000e-03  1.9458000000e-03  5.9506000000e-03  7.3000000000e-05 -4.2283000000e-03  1.0889500000e-02 -2.4887000000e-03  5.5338000000e-03 -6.6514000000e-03  2.8668000000e-03 -3.3343000000e-03  3.8216000000e-03

JOB 273
COORDS   2.4294900000e+00  1.1831000000e+00  9.2576000000e-01  3.3557800000e+00  9.5415000000e-01  1.0019800000e+00  2.4076600000e+00  2.1339700000e+00  1.0334800000e+00  1.1631000000e-01 -5.3077000000e-01  1.3775600000e+00 -5.3842000000e-01 -7.7310000000e-02  8.4657000000e-01  8.5899000000e-01  7.2250000000e-02  1.4094000000e+00 -2.3017400000e+00  5.1486000000e-01 -4.2368000000e-01 -1.7580200000e+00 -1.1295000000e-01 -8.9955000000e-01 -1.9358200000e+00  1.3697300000e+00 -6.5068000000e-01 -9.6248000000e-01 -1.4498900000e+00 -1.6000100000e+00 -9.2668000000e-01 -2.3253500000e+00 -1.2146400000e+00 -9.2589000000e-01 -1.6017100000e+00 -2.5443900000e+00  1.0135600000e+00  6.4349000000e-01 -1.7379700000e+00  6.1798000000e-01 -1.9702000000e-01 -1.5071200000e+00  1.5616400000e+00  8.6557000000e-01 -9.8529000000e-01 -1.8088700000e+00 -2.0976300000e+00  3.3824200000e+00 -1.1798400000e+00 -1.7808800000e+00  4.0306600000e+00 -1.8692600000e+00 -1.3898600000e+00  2.7408200000e+00 -3.2854000000e-01  3.8048300000e+00  1.5739700000e+00 -1.0561000000e+00  3.6035500000e+00  2.1625100000e+00 -5.9675000000e-01  3.4443300000e+00  7.2879000000e-01 -1.3875000000e-01 -3.2471300000e+00  1.3678900000e+00 -4.8980000000e-02 -2.3255800000e+00  1.1251500000e+00 -7.1381000000e-01 -3.2388300000e+00  2.1330500000e+00 -1.4977000000e-01 -4.2491400000e+00 -1.1573700000e+00 -8.1010000000e-02 -3.9814200000e+00 -2.4095000000e-01  4.0009000000e-01 -5.0300400000e+00 -1.2211700000e+00  2.5451000000e+00  4.2206400000e+00  1.6367100000e+00  1.6185300000e+00  3.9805300000e+00  1.6300900000e+00  2.5531800000e+00  5.1387200000e+00  1.9074200000e+00 -5.6750000000e-01  2.8021700000e+00 -9.6694000000e-01 -5.7880000000e-01  3.3776400000e+00 -1.7317500000e+00 -1.5940000000e-02  2.0651600000e+00 -1.2292900000e+00  1.9340000000e-02 -1.6588400000e+00 -4.3465000000e+00  9.3018000000e-01 -1.4827400000e+00 -4.1107400000e+00  5.9290000000e-02 -2.4494100000e+00 -4.8846800000e+00
ENERGY -9.171827649088e+02
EMD0 -3.421682290000e+02
FORCES   2.8111000000e-03  1.9520000000e-03  6.8596000000e-03 -1.1335000000e-03  4.6734000000e-03 -8.0560000000e-04  1.3790000000e-04 -9.0059000000e-03 -3.7309000000e-03  6.1413000000e-03 -1.0958000000e-03  1.7177000000e-03  1.2872700000e-02 -2.9069000000e-03  3.8796000000e-03 -1.3555800000e-02 -1.4240000000e-03 -3.3084000000e-03 -4.2961000000e-03 -7.8150000000e-03 -1.4168200000e-02  3.3533000000e-03  1.5390700000e-02  9.8079000000e-03  4.1495000000e-03 -1.0540800000e-02  1.8280000000e-04 -7.7668000000e-03 -1.5580000000e-03 -2.8443000000e-03 -5.4530000000e-04  6.6328000000e-03 -1.4503000000e-03 -1.4978000000e-03 -9.2540000000e-04  1.3499000000e-02  1.7300000000e-03 -1.0959300000e-02 -4.7264000000e-03  1.1018400000e-02  1.1979200000e-02  3.0168000000e-03 -1.4223800000e-02  6.3650000000e-04 -6.5356000000e-03 -1.9556000000e-03  2.0786000000e-03 -2.2900000000e-04 -1.6430000000e-03  7.7640000000e-04 -2.9639000000e-03  2.3442000000e-03 -3.3385000000e-03  3.9352000000e-03 -2.5410000000e-04  2.1660000000e-04 -9.0723000000e-03 -2.5359000000e-03 -2.2215000000e-03 -6.7364000000e-03 -3.3600000000e-03  2.5053000000e-03  1.7373800000e-02 -3.0619000000e-03  9.7832000000e-03  1.0172300000e-02 -8.0917000000e-03 -1.2643600000e-02 -5.1101000000e-03  6.5897000000e-03  2.1580000000e-03 -6.0733000000e-03 -2.8405000000e-03  2.6250000000e-03  1.1363800000e-02  3.8967000000e-03 -1.6339000000e-03 -2.0463500000e-02  1.0742000000e-03  1.0272000000e-03  5.4052000000e-03 -4.2912000000e-03  3.5404000000e-03  2.0289000000e-03  1.6154600000e-02 -5.8480000000e-04 -2.7862000000e-03 -4.1885000000e-03 -6.4680000000e-04  1.9900000000e-04  8.0709000000e-03 -9.8574000000e-03 -9.4660000000e-04  3.3514000000e-03 -4.0307000000e-03 -6.9330000000e-04 -1.0373200000e-02  1.6148400000e-02  6.8883000000e-03 -1.3288000000e-03  2.1280000000e-03 -1.6854000000e-03 -2.2465000000e-03 -5.8518000000e-03 -3.2276000000e-03  5.4941000000e-03  2.7882000000e-03  1.2273000000e-03

JOB 274
COORDS   1.7869900000e+00  1.0424700000e+00  1.6120000000e-01  2.5668000000e+00  1.1135600000e+00  7.1172000000e-01  1.1832300000e+00  1.6956600000e+00  5.1481000000e-01 -5.3105000000e-01 -1.4445000000e-01  1.3439400000e+00 -1.2384300000e+00  4.1741000000e-01  1.0274400000e+00  2.4663000000e-01  4.1318000000e-01  1.3215500000e+00 -2.6472600000e+00  1.2624600000e+00 -1.3076000000e-01 -2.4634800000e+00  5.5606000000e-01 -7.4999000000e-01 -3.1211700000e+00  1.9156300000e+00 -6.4556000000e-01 -1.6422400000e+00 -2.8040000000e-02 -2.0818700000e+00 -1.3733400000e+00 -9.4504000000e-01 -2.0267600000e+00 -8.3081000000e-01  4.5014000000e-01 -2.2526100000e+00  5.7155000000e-01  1.3512000000e+00 -2.6464100000e+00  7.7727000000e-01  4.7858000000e-01 -2.9817400000e+00  1.1121700000e+00  1.4402800000e+00 -1.8615300000e+00  1.0443500000e+00 -4.9304000000e+00  3.2447500000e+00  1.4099600000e+00 -5.4787300000e+00  2.5505600000e+00  7.2348000000e-01 -4.1510200000e+00  2.7910500000e+00 -3.0823000000e-01  2.9101500000e+00  1.1989000000e+00 -1.2297500000e+00  2.6718600000e+00  1.3001400000e+00 -2.8238000000e-01  3.4339700000e+00  3.9816000000e-01 -1.0211400000e+00 -2.7847400000e+00  1.8097900000e+00 -8.5708000000e-01 -1.8450700000e+00  1.7301400000e+00 -1.6777200000e+00 -2.8558300000e+00  2.5026600000e+00 -1.1614400000e+00 -2.6719100000e+00 -1.1561500000e+00 -1.2082100000e+00 -2.7334700000e+00 -2.0208000000e-01 -1.7542600000e+00 -3.3547500000e+00 -1.4700400000e+00  3.2622800000e+00  1.3111200000e+00  2.4806500000e+00  3.7040600000e+00  6.3205000000e-01  2.9904800000e+00  3.2628700000e+00  2.0789200000e+00  3.0522300000e+00 -3.6305000000e-01  3.8923000000e+00 -1.7602600000e+00 -9.0115000000e-01  4.4120900000e+00 -2.3573300000e+00 -2.1329000000e-01  3.0698500000e+00 -2.2264900000e+00  1.0326600000e+00 -1.2255100000e+00 -2.4657200000e+00  9.5606000000e-01 -1.0159400000e+00 -1.5348900000e+00  8.5038000000e-01 -2.1638300000e+00 -2.5162600000e+00
ENERGY -9.171714559780e+02
EMD0 -3.164885000000e+02
FORCES   4.8099000000e-03  2.0356000000e-03  1.2241000000e-02 -7.0144000000e-03  1.3280000000e-03 -4.9351000000e-03  6.9195000000e-03 -1.2351000000e-02 -2.7078000000e-03  5.0315000000e-03  3.9204000000e-03 -4.6237000000e-03  9.2361000000e-03 -2.5776000000e-03  4.0607000000e-03 -6.9961000000e-03  7.5422000000e-03 -7.2400000000e-05  1.0156400000e-02 -1.4764900000e-02 -2.2515000000e-02 -1.0900600000e-02  9.6677000000e-03  1.6185900000e-02 -1.6530000000e-04 -2.4364000000e-03 -2.5120000000e-03  1.1426400000e-02  1.1957600000e-02  4.5298000000e-03  4.1055000000e-03  1.0937100000e-02 -3.9247000000e-03  1.6710000000e-04 -1.5959400000e-02 -2.2400000000e-05  2.2010000000e-03 -1.3974900000e-02 -2.1033000000e-03 -8.9706000000e-03  8.5170000000e-03  1.2184800000e-02 -9.1114000000e-03 -3.1330000000e-04 -9.2145000000e-03 -2.4672000000e-03  8.4160000000e-04  2.1202000000e-03 -1.5770000000e-03  4.1744000000e-03 -1.0649000000e-03  7.2771000000e-03 -7.1380000000e-03  4.2310000000e-04 -6.7809000000e-03  2.1128000000e-03 -1.5928000000e-03  3.3314000000e-03  4.8857000000e-03  4.2450000000e-04  3.5440000000e-04 -6.2170000000e-03  1.0572600000e-02  3.2116000000e-03  1.2581300000e-02  6.2180000000e-04 -1.0292400000e-02 -2.0313700000e-02  2.5893000000e-03  1.9624000000e-03  5.7741000000e-03 -4.0560000000e-04  1.1414000000e-03  4.3712000000e-03  9.8390000000e-03 -3.1166000000e-03 -1.7963000000e-03 -1.5118900000e-02  5.9540000000e-04  8.5020000000e-04  4.0969000000e-03 -4.3841000000e-03  1.0600000000e-04 -5.5850000000e-03 -2.9440000000e-04  5.6776000000e-03  2.6507000000e-03  3.4679000000e-03 -5.6869000000e-03  3.0825000000e-03  3.8645000000e-03 -3.4418000000e-03 -3.9400000000e-03  5.1830000000e-04 -5.1017000000e-03 -2.7500000000e-03 -4.1139000000e-03  1.0910500000e-02  3.8951000000e-03 -3.9461000000e-03  2.6531000000e-03 -1.1578000000e-03 -3.0113000000e-03 -3.6460000000e-04 -8.3736000000e-03  3.3644000000e-03  1.5929000000e-03  3.1016000000e-03

JOB 275
COORDS   6.8469000000e-01  5.5437000000e-01  9.3302000000e-01  1.2374400000e+00 -1.5610000000e-01  1.2585000000e+00  1.1110200000e+00  1.3524600000e+00  1.2453000000e+00 -1.6387300000e+00 -1.7656300000e+00  2.5475000000e-01 -2.2154000000e+00 -1.0403700000e+00  1.4570000000e-02 -1.4434000000e+00 -2.2017200000e+00 -5.7465000000e-01 -2.4941800000e+00  1.0783000000e+00  1.6999000000e+00 -2.6876500000e+00  1.9627600000e+00  1.3892000000e+00 -1.6015800000e+00  9.0812000000e-01  1.3990000000e+00 -1.2495300000e+00 -1.6549100000e+00 -2.6807200000e+00 -1.2739300000e+00 -1.5903400000e+00 -3.6354300000e+00 -8.1018000000e-01 -8.5318000000e-01 -2.3971200000e+00 -9.3200000000e-03  1.1433700000e+00 -1.6586700000e+00  5.3753000000e-01  8.6691000000e-01 -2.3940400000e+00  4.5257000000e-01  8.2495000000e-01 -8.8311000000e-01  9.3470000000e-01 -1.3779000000e+00  3.9119900000e+00  8.3965000000e-01 -1.9078300000e+00  4.7034200000e+00  2.5416000000e-01 -7.0906000000e-01  3.9878500000e+00  1.0951900000e+00  3.4045000000e+00  7.8140000000e-01  1.2194900000e+00  4.3214500000e+00  1.0263200000e+00  5.2096000000e-01  3.4362100000e+00  1.6230000000e-02 -2.1774800000e+00 -1.0766100000e+00  3.5794700000e+00 -1.7058900000e+00 -1.6948400000e+00  3.0212500000e+00 -2.6440500000e+00 -5.0791000000e-01  2.9669900000e+00  5.5985000000e-01 -3.1111500000e+00 -4.0657400000e+00  5.5355000000e-01 -4.0658300000e+00 -3.9965300000e+00 -1.3500000000e-02 -2.8154800000e+00 -3.3585700000e+00  2.7741100000e+00 -1.1044200000e+00  2.1359800000e+00  2.1994900000e+00 -1.3712700000e+00  2.8535100000e+00  3.5894400000e+00 -8.4512000000e-01  2.5652100000e+00 -3.0747000000e-01  3.9180100000e+00 -1.3568400000e+00 -5.7550000000e-02  4.3587000000e+00 -2.1689700000e+00 -4.7266000000e-01  3.0116700000e+00 -1.6166300000e+00  1.7205800000e+00 -4.4470000000e-02 -3.4006200000e+00  2.6109600000e+00  1.6392000000e-01 -3.6834900000e+00  1.5210400000e+00 -8.7657000000e-01 -3.8296100000e+00
ENERGY -9.171571478617e+02
EMD0 -2.949705940000e+02
FORCES   6.5526000000e-03 -3.5977000000e-03  2.1665000000e-03 -6.4490000000e-03  1.0061100000e-02  2.5100000000e-05 -8.6720000000e-04 -1.3175200000e-02  2.7500000000e-04  4.3970000000e-04 -1.6180000000e-04 -2.5735000000e-03  2.4537000000e-03 -3.6891000000e-03 -2.5052000000e-03 -9.6710000000e-04  3.8382000000e-03  2.6947000000e-03  1.4060000000e-03 -3.4900000000e-05  5.2940000000e-03  5.0027000000e-03 -1.7121000000e-03 -2.2479000000e-03 -1.2811500000e-02  5.5379000000e-03 -4.6230000000e-04 -4.0210000000e-03  2.4195000000e-03  3.6922000000e-03  1.1080200000e-02 -1.5653000000e-03  5.2620000000e-03 -1.3836000000e-03 -1.1647200000e-02 -1.1251200000e-02  1.3263900000e-02 -8.5380000000e-04  1.2559600000e-02 -8.8693000000e-03 -1.9732000000e-03  8.8514000000e-03 -2.6220000000e-04  3.3176000000e-03 -2.2052100000e-02  5.5616000000e-03  3.3998000000e-03 -1.4444200000e-02 -1.4668000000e-03  4.2331000000e-03 -5.7500000000e-05  7.0561000000e-03 -5.4046000000e-03  6.4161000000e-03 -8.3228000000e-03  5.4800000000e-03 -1.6570400000e-02 -1.7188000000e-03  1.0726000000e-03 -3.2703000000e-03  9.8900000000e-04 -4.9037000000e-03  9.0607000000e-03 -7.1402000000e-03  4.5828000000e-03 -3.7606000000e-03 -6.6680000000e-04  4.5530000000e-03  3.8963000000e-03  3.2667000000e-03 -1.0112200000e-02  1.4037000000e-03 -3.4768000000e-03  2.2871000000e-03  4.1356000000e-03 -5.3750000000e-03  2.3722000000e-03  4.8340000000e-03  2.7294000000e-03 -2.7855000000e-03 -1.1710300000e-02 -1.1392600000e-02 -2.8518000000e-03  8.9330000000e-03  1.1451500000e-02  3.7860000000e-03 -6.1324000000e-03 -3.0992000000e-03 -3.2143000000e-03  5.4053000000e-03  8.2553000000e-03 -8.8397000000e-03  9.9645000000e-03 -2.4863000000e-03 -5.4375000000e-03 -2.2652000000e-03  1.3701000000e-03  1.9288100000e-02  9.9110000000e-04 -1.6569000000e-03  1.6644000000e-03  6.4443000000e-03 -1.7926000000e-03 -5.1316000000e-03 -3.3214000000e-03  3.3474000000e-03  9.1980000000e-03  3.1950000000e-04

JOB 276
COORDS   5.9068000000e-01  1.8074000000e-01  1.0310000000e+00  1.3910300000e+00 -8.5380000000e-02  1.4836100000e+00  3.6851000000e-01  1.0289100000e+00  1.4150400000e+00 -4.6647000000e-01 -3.2374900000e+00 -6.9542000000e-01 -9.5310000000e-01 -2.4278800000e+00 -5.4064000000e-01 -1.0359000000e+00 -3.9282700000e+00 -3.5659000000e-01 -1.7884800000e+00 -8.1962000000e-01  2.3170000000e-01 -8.9164000000e-01 -6.9343000000e-01  5.4152000000e-01 -1.9324500000e+00 -1.0206000000e-01 -3.8524000000e-01 -2.4581500000e+00  1.2715600000e+00 -1.7932200000e+00 -2.3512000000e+00  1.1995700000e+00 -2.7416900000e+00 -1.9611900000e+00  2.0540100000e+00 -1.5543800000e+00  1.1985800000e+00  1.4848100000e+00 -3.1752100000e+00  1.0637900000e+00  7.3081000000e-01 -3.7492600000e+00  2.1275100000e+00  1.4496300000e+00 -2.9469600000e+00  5.9401000000e-01 -1.5803800000e+00  4.3468700000e+00  5.6205000000e-01 -1.6758700000e+00  5.2987600000e+00 -2.6675000000e-01 -1.2341600000e+00  4.1113800000e+00  2.4601000000e-01  3.2063400000e+00  1.3160900000e+00  2.7383000000e-01  4.1613300000e+00  1.3748900000e+00 -6.0550000000e-02  3.0294900000e+00  4.2672000000e-01 -2.0486700000e+00 -9.0584000000e-01  3.1500000000e+00 -2.8660700000e+00 -1.3991900000e+00  3.2185100000e+00 -1.9345300000e+00 -7.5974000000e-01  2.2109300000e+00  1.4181900000e+00 -1.3448000000e+00 -1.3304500000e+00  9.9922000000e-01 -2.1819700000e+00 -1.1308400000e+00  1.4726600000e+00 -8.9645000000e-01 -4.8650000000e-01  2.5812400000e+00 -6.0581000000e-01  2.7748700000e+00  3.2902700000e+00 -1.0791900000e+00  3.2100900000e+00  1.7977300000e+00 -8.3423000000e-01  3.2750400000e+00 -3.9571000000e-01  3.1931400000e+00 -1.4758000000e+00 -2.8246000000e-01  4.0471400000e+00 -1.8930400000e+00  1.9785000000e-01  2.6126800000e+00 -1.9522200000e+00  5.4047000000e-01 -8.5799000000e-01 -4.4054600000e+00  5.2470000000e-02 -1.5540000000e+00 -4.8455300000e+00  7.6659000000e-01 -1.2264600000e+00 -3.5514500000e+00
ENERGY -9.171777869676e+02
EMD0 -3.467965550000e+02
FORCES   5.3749000000e-03  1.4292000000e-03  7.2320000000e-04 -1.3466100000e-02  4.9721000000e-03 -4.8550000000e-03  1.0100000000e-03 -1.0150300000e-02 -2.6210000000e-04  6.7190000000e-04  5.7305000000e-03  9.4180000000e-04  1.0475100000e-02 -1.2481000000e-02 -1.0123000000e-03 -4.1392000000e-03  4.5612000000e-03  1.7240000000e-04  3.7324000000e-03  1.3158700000e-02 -4.6473000000e-03 -1.6453100000e-02 -6.6337000000e-03 -3.5269000000e-03  9.4358000000e-03 -6.6830000000e-03  1.2066600000e-02  3.0196000000e-03  5.7079000000e-03 -2.2017000000e-03  8.0800000000e-05  4.9555000000e-03  1.3984000000e-03 -5.5875000000e-03 -9.1075000000e-03 -3.3907000000e-03 -7.6785000000e-03 -1.4146400000e-02 -6.8581000000e-03  1.2254900000e-02  4.9260000000e-03  7.7831000000e-03 -1.2988000000e-03 -1.2349000000e-03 -3.9769000000e-03 -7.5840000000e-04 -3.6360000000e-04 -6.5017000000e-03 -5.5844000000e-03  1.0050000000e-03 -1.8297000000e-03  1.4966400000e-02 -8.2980000000e-04  1.1275400000e-02  1.2870000000e-04  2.7608000000e-03 -4.6665000000e-03 -1.6060000000e-03 -2.4570000000e-04 -5.2076000000e-03  2.0665000000e-03 -1.3060000000e-04  1.2294500000e-02 -2.4719000000e-03  2.3432000000e-03 -9.6073000000e-03  4.9720000000e-04  7.0380000000e-04 -3.0923000000e-03  3.0690000000e-04 -3.5756000000e-03  1.1455000000e-02 -3.5052000000e-03  6.5650000000e-04  7.3979000000e-03  7.3550000000e-04  1.1004100000e-02  7.6460000000e-04  1.5996000000e-03 -1.0025600000e-02  1.9423000000e-03 -5.8706000000e-03 -4.1390000000e-03  6.2011000000e-03 -3.1420000000e-03 -6.9350000000e-04  5.0547000000e-03  8.7489000000e-03  6.2525000000e-03 -1.3604000000e-02  4.1247000000e-03 -6.9518000000e-03 -4.7828000000e-03  3.6841000000e-03 -3.2157000000e-03 -1.1408000000e-03 -9.0396000000e-03  1.7012800000e-02  9.8986000000e-03  1.1780000000e-04  6.4384000000e-03 -1.2441000000e-03  1.7032000000e-03 -3.9857000000e-03  6.6881000000e-03 -4.1334000000e-03  9.7530000000e-04 -1.3649900000e-02

JOB 277
COORDS   1.0121800000e+00  5.7130000000e-02  1.1084900000e+00  1.0904600000e+00  3.9328000000e-01  2.0013000000e+00  3.9875000000e-01  6.5418000000e-01  6.8018000000e-01  1.3548800000e+00 -3.5770000000e+00 -1.5794200000e+00  1.3736100000e+00 -4.4955400000e+00 -1.3107800000e+00  6.2884000000e-01 -3.1970400000e+00 -1.0847200000e+00 -5.7836000000e-01 -1.9531200000e+00  1.1627000000e-01  8.7280000000e-02 -1.4128100000e+00  5.4196000000e-01 -1.3556200000e+00 -1.3953800000e+00  8.4130000000e-02 -2.4111200000e+00  1.5458000000e-01 -5.5730000000e-02 -1.9186900000e+00  8.2581000000e-01  4.1670000000e-01 -2.5919900000e+00  5.4639000000e-01 -9.1013000000e-01  6.4250000000e-01  1.1894900000e+00 -3.3405700000e+00  9.2681000000e-01  9.0069000000e-01 -4.2077400000e+00  7.1625000000e-01  4.0889000000e-01 -2.7915200000e+00 -5.4355000000e-01 -4.9629000000e-01  4.5266200000e+00 -1.2618300000e+00  1.2581000000e-01  4.6419500000e+00 -8.6443000000e-01 -1.1142700000e+00  3.8698300000e+00 -3.0072000000e-01  1.9514000000e+00 -4.3689000000e-01  4.0185000000e-01  2.4779800000e+00 -8.1813000000e-01 -1.0104200000e+00  1.9982700000e+00 -1.0774900000e+00 -1.8516200000e+00 -2.6292400000e+00  2.5097700000e+00 -1.9258300000e+00 -3.5764700000e+00  2.6259200000e+00 -1.2986200000e+00 -2.5249900000e+00  1.7354700000e+00  1.7254000000e+00 -8.6333000000e-01 -1.9517100000e+00  1.6399600000e+00 -1.7909800000e+00 -2.1717000000e+00  2.0118000000e+00 -8.5867000000e-01 -1.0383700000e+00  1.3099200000e+00  1.3249400000e+00  3.5895100000e+00  2.1595400000e+00  1.5574500000e+00  3.9641000000e+00  9.9465000000e-01  6.0620000000e-01  4.1374600000e+00  1.5432500000e+00  3.2375100000e+00 -1.8568600000e+00  2.3029900000e+00  3.0363100000e+00 -1.3104700000e+00  1.6330000000e+00  2.6598400000e+00 -2.6148000000e+00 -1.9566100000e+00  1.6234900000e+00 -2.5904700000e+00 -2.1311600000e+00  2.4987200000e+00 -2.9364900000e+00 -1.1389000000e+00  1.3577800000e+00 -3.0111700000e+00
ENERGY -9.171913955666e+02
EMD0 -3.494306150000e+02
FORCES   7.1720000000e-04  1.4020800000e-02  4.6774000000e-03 -7.9808000000e-03 -5.1847000000e-03 -1.1321900000e-02  3.0528000000e-03 -1.2163500000e-02  1.4186100000e-02  1.2976000000e-03  3.3920000000e-03 -1.5620000000e-03 -5.6753000000e-03  2.2185000000e-03  4.1933000000e-03  1.2703900000e-02 -8.9414000000e-03 -6.8876000000e-03 -3.0380000000e-03  2.4192900000e-02 -3.6518000000e-03 -1.3214100000e-02 -1.1485700000e-02 -4.6810000000e-03  1.2032700000e-02 -1.1045100000e-02  1.1611100000e-02  3.9901000000e-03  4.4940000000e-03 -6.1423000000e-03 -2.3141000000e-03 -1.7410000000e-03 -4.0268000000e-03  7.7590000000e-04  1.0384000000e-03  9.0061000000e-03  8.8502000000e-03 -7.5069000000e-03  1.7246100000e-02 -5.5570000000e-04 -9.9050000000e-04  3.6339000000e-03 -1.3583600000e-02  1.3683400000e-02 -1.8388900000e-02 -1.7506000000e-03 -5.4048000000e-03 -1.3929000000e-03  8.0520000000e-04 -2.3727000000e-03 -2.7995000000e-03  2.2863000000e-03  1.2371100000e-02  5.7965000000e-03  6.4938000000e-03  6.7152000000e-03 -1.8116000000e-02 -8.5909000000e-03 -8.7362000000e-03  5.1728000000e-03  5.2175000000e-03  2.9168000000e-03  6.1929000000e-03 -3.1370000000e-04  6.4470000000e-04 -1.3508200000e-02  2.9319000000e-03  7.7270000000e-04 -4.9470000000e-03 -5.1629000000e-03 -3.6091000000e-03  1.5426200000e-02  3.6590000000e-04 -4.7011000000e-03  3.6453000000e-03 -2.3206000000e-03  8.2819000000e-03  4.1880000000e-03  1.7944000000e-03 -6.4966000000e-03 -5.4594000000e-03 -8.8068000000e-03 -7.8560000000e-04 -7.0400000000e-05 -3.3784000000e-03 -5.1790000000e-03  4.3769000000e-03  1.5678900000e-02  9.0905000000e-03 -5.4251000000e-03 -1.0815700000e-02 -6.3269000000e-03 -7.9446000000e-03 -5.2448000000e-03 -5.4552000000e-03 -2.7382000000e-03  9.3769000000e-03  7.5905000000e-03  7.3046000000e-03  1.2490900000e-02 -7.1353000000e-03 -5.1740000000e-03  5.8307000000e-03 -1.6908000000e-03  5.8060000000e-04 -1.3947000000e-02  5.5286000000e-03  6.9998000000e-03

JOB 278
COORDS   3.2229000000e-01 -3.4716000000e-01  1.7584000000e-01  7.3628000000e-01 -1.7350000000e-02  9.7339000000e-01 -1.7153000000e-01  3.9891000000e-01 -1.6438000000e-01  3.4862000000e-01 -2.5270800000e+00 -3.5039300000e+00  1.0712300000e+00 -3.1024000000e+00 -3.2527700000e+00 -4.4019000000e-01 -3.0290200000e+00 -3.2988600000e+00 -1.2033800000e+00 -2.1211100000e+00  1.4947200000e+00 -5.0719000000e-01 -1.8180700000e+00  9.1187000000e-01 -1.8717700000e+00 -1.4376700000e+00  1.4458200000e+00 -2.5636400000e+00  2.9626000000e-01  1.3776800000e+00 -2.1076500000e+00  9.2751000000e-01  8.2105000000e-01 -3.4444900000e+00  2.4180000000e-01  1.0070300000e+00  1.9460800000e+00  1.2168000000e+00 -3.1604400000e+00  2.4356400000e+00  9.6750000000e-01 -3.9442900000e+00  2.4230600000e+00  8.0660000000e-01 -2.4390100000e+00 -4.1576000000e-01 -2.0893000000e-01  3.5222000000e+00 -1.1591800000e+00 -1.9046000000e-01  2.9195300000e+00 -4.3754000000e-01 -1.0867100000e+00  3.9033300000e+00 -1.1424000000e+00  1.9914800000e+00 -5.5866000000e-01 -5.1137000000e-01  2.6429900000e+00 -8.6455000000e-01 -1.5196500000e+00  1.6281200000e+00 -1.3598400000e+00 -2.2471800000e+00 -2.7692200000e+00  4.0860600000e+00 -2.2585000000e+00 -3.6794200000e+00  4.3821100000e+00 -2.0232500000e+00 -2.8218400000e+00  3.1569100000e+00  2.8883800000e+00  2.1859000000e-01 -8.3067000000e-01  3.3887300000e+00  2.5937000000e-01 -1.5680000000e-02  2.0005500000e+00 -1.0660000000e-02 -5.5600000000e-01  2.1254200000e+00  5.5746000000e-01  2.3937300000e+00  2.4910900000e+00  1.3152800000e+00  2.8500500000e+00  1.2616900000e+00  4.3405000000e-01  2.7874000000e+00  5.0857000000e-01  3.5341000000e+00 -2.0821300000e+00  1.0815900000e+00  4.2957900000e+00 -1.9943300000e+00  1.0673500000e+00  2.8558900000e+00 -2.4616400000e+00 -6.4493000000e-01  1.8197000000e-01 -2.8303300000e+00 -3.9703000000e-01 -6.7354000000e-01 -3.1808900000e+00  1.4243000000e-01  7.1783000000e-01 -2.9259800000e+00
ENERGY -9.171839233592e+02
EMD0 -3.463062860000e+02
FORCES  -1.5021100000e-02  3.8583000000e-03 -1.1580000000e-04 -4.3706000000e-03 -7.3520000000e-04 -7.6201000000e-03  1.0388100000e-02 -8.6111000000e-03  1.0065800000e-02  3.6745000000e-03  3.2248000000e-03  2.6810000000e-04 -5.8046000000e-03 -3.8854000000e-03 -7.9820000000e-04  4.9128000000e-03 -5.8700000000e-05  7.0030000000e-04  9.6630000000e-03  1.9932600000e-02 -8.8383000000e-03 -4.4774000000e-03 -4.1162000000e-03  4.3193000000e-03  3.0634000000e-03 -7.9104000000e-03  6.0379000000e-03  6.2221000000e-03  3.5602000000e-03 -2.1120000000e-04 -9.8610000000e-03 -1.0039300000e-02  3.9507000000e-03  4.2313000000e-03  1.2439000000e-03 -4.4006000000e-03  1.8831000000e-03 -6.1155000000e-03  8.9115000000e-03  4.4856000000e-03 -3.3411000000e-03  5.6149000000e-03 -8.5521000000e-03  2.7810000000e-03 -1.8499200000e-02 -9.4818000000e-03 -8.6354000000e-03  5.9370000000e-04  5.7678000000e-03 -2.7272000000e-03  1.1757000000e-03  7.8230000000e-04  4.3190000000e-03 -1.9957000000e-03  8.4402000000e-03  1.5827300000e-02 -9.8336000000e-03 -7.8630000000e-03 -1.3657100000e-02  3.0782000000e-03  2.2058000000e-03  4.8556000000e-03  7.9273000000e-03  2.8900000000e-05  2.7181000000e-03 -3.7920000000e-03  1.1107000000e-03  4.0370000000e-04 -5.4718000000e-03 -6.8402000000e-03 -3.5557000000e-03  1.1522700000e-02 -7.9553000000e-03 -1.7434000000e-03  3.7185000000e-03 -3.4756000000e-03 -2.3399000000e-03  1.8880000000e-04  1.5373200000e-02  8.2890000000e-03 -2.6871000000e-03 -5.6861000000e-03 -4.7978000000e-03  7.3177000000e-03 -3.8122000000e-03 -1.4748000000e-03  1.9468000000e-03  1.4818600000e-02  9.9640000000e-03 -1.3853400000e-02 -2.1018000000e-03 -3.9308000000e-03 -4.5039000000e-03  3.4823000000e-03 -4.3577000000e-03 -2.5783000000e-03 -5.2084000000e-03  1.1535700000e-02  8.8885000000e-03  1.0717400000e-02 -5.8500000000e-03 -4.5558000000e-03 -2.8490000000e-03  7.1495000000e-03 -8.3080000000e-04 -7.8909000000e-03 -1.7799000000e-03  4.3595000000e-03

JOB 279
COORDS  -5.1569000000e-01 -2.3154400000e+00 -3.2493000000e-01  2.4626000000e-01 -2.4287200000e+00  2.4327000000e-01 -6.4945000000e-01 -1.3683200000e+00 -3.6101000000e-01  1.0137200000e+00 -1.8105800000e+00 -2.7556200000e+00  1.3250100000e+00 -2.6868800000e+00 -2.9823800000e+00  3.6601000000e-01 -1.9569200000e+00 -2.0662100000e+00 -1.9347600000e+00 -1.8238900000e+00  2.3914200000e+00 -1.9155800000e+00 -2.6998400000e+00  2.0059800000e+00 -2.7201000000e+00 -1.4175500000e+00  2.0248800000e+00 -3.5725600000e+00  4.9170000000e-02  5.0734000000e-01 -2.7124800000e+00 -2.9318000000e-01  2.6383000000e-01 -3.8959100000e+00  4.7321000000e-01 -2.8757000000e-01  1.9487800000e+00  2.4671000000e+00 -1.3525400000e+00  2.8509400000e+00  2.7851500000e+00 -1.3181000000e+00  1.9927600000e+00  1.5811500000e+00 -9.9284000000e-01 -6.8102000000e-01  2.2233500000e+00  2.8146300000e+00 -1.6350000000e+00  2.2927400000e+00  2.7780500000e+00 -3.8706000000e-01  2.4961100000e+00  1.9454900000e+00 -8.0271000000e-01  3.6266000000e-01 -7.7917000000e-01 -7.1684000000e-01  1.2316200000e+00 -3.8704000000e-01 -8.5643000000e-01  5.2834000000e-01 -1.7203900000e+00  2.9253000000e-01 -2.2036000000e-01  2.5430600000e+00  9.1700000000e-03  6.9244000000e-01  2.5954200000e+00 -4.9175000000e-01 -7.2751000000e-01  2.7526700000e+00  2.7638400000e+00 -5.3609000000e-01 -1.2151100000e+00  2.5224700000e+00 -9.5892000000e-01 -3.9098000000e-01  2.3161400000e+00 -1.0488700000e+00 -1.8880500000e+00  1.6220800000e+00 -2.3933400000e+00  1.5851600000e+00  1.6894000000e+00 -2.8256000000e+00  2.4365400000e+00  1.3811600000e+00 -1.4905200000e+00  1.7927700000e+00 -4.7127000000e-01  3.0418900000e+00 -2.0281000000e-01 -8.5087000000e-01  3.8699900000e+00 -4.9670000000e-01  4.1426000000e-01  3.0414500000e+00 -5.6622000000e-01  3.3515000000e-01  9.1368000000e-01 -3.1701100000e+00  8.2543000000e-01  1.0978000000e-01 -3.3421800000e+00  9.3618000000e-01  1.4568500000e+00 -2.6602300000e+00
ENERGY -9.171881470104e+02
EMD0 -3.548149120000e+02
FORCES  -1.3612000000e-03  6.3360000000e-03  1.4776900000e-02 -6.9380000000e-03  8.8675000000e-03 -1.0918500000e-02  5.9001000000e-03 -1.4710200000e-02 -3.6923000000e-03 -8.1493000000e-03  4.4833000000e-03  1.0943600000e-02 -5.0650000000e-04  1.6559000000e-03  5.4668000000e-03  1.2933600000e-02  2.8021000000e-03 -1.4411700000e-02  6.0102000000e-03  2.7585000000e-03 -2.6221000000e-03 -6.7805000000e-03  1.8780000000e-03  2.2978000000e-03  5.2371000000e-03 -5.8294000000e-03 -1.7150000000e-03  1.2790000000e-03  1.9616000000e-03 -3.4546000000e-03 -9.8237000000e-03 -2.3916000000e-03  4.4961000000e-03  2.9543000000e-03 -8.1570000000e-04 -4.5000000000e-06  2.4148000000e-03 -2.5999000000e-03 -4.0414000000e-03 -9.1930000000e-04 -4.2721000000e-03  3.3309000000e-03 -4.9020000000e-03  1.7241700000e-02 -2.8255000000e-03  1.8378000000e-03 -4.3074000000e-03  2.8503000000e-03  3.5564000000e-03  1.9844000000e-03 -3.2627000000e-03 -1.6644000000e-03 -1.0505100000e-02  9.0075000000e-03  9.5279000000e-03  9.7667000000e-03 -9.2080000000e-03  4.1312000000e-03 -6.2782000000e-03 -6.3450000000e-03 -6.9525000000e-03  7.7860000000e-04  1.3904600000e-02 -1.3445900000e-02  1.0365100000e-02  4.0273000000e-03 -7.4510000000e-04 -8.4650000000e-03 -7.6459000000e-03  7.3333000000e-03  1.0803800000e-02  3.2134000000e-03 -6.2234000000e-03 -1.5837500000e-02 -1.2290900000e-02 -3.1620000000e-03  2.4242000000e-03 -5.3804000000e-03  7.3528000000e-03  2.5242000000e-03  8.9279000000e-03 -4.5190000000e-03  7.7684000000e-03  8.0324000000e-03 -5.6770000000e-04  3.5654000000e-03  1.1853000000e-03  7.6157000000e-03 -1.7596200000e-02 -8.2094000000e-03  5.0280000000e-03 -4.2247000000e-03 -8.6652000000e-03  7.4461000000e-03  8.4470000000e-04 -1.8185000000e-03 -1.7231200000e-02  1.4025000000e-03  5.9335000000e-03  3.4011000000e-03 -2.2410000000e-03  2.8954000000e-03  2.9162000000e-03  1.0133700000e-02  2.8885000000e-03 -2.9838000000e-03 -1.0272500000e-02  2.3338000000e-03

JOB 280
COORDS   1.0025000000e-01 -2.5792900000e+00 -1.4312000000e+00  6.4260000000e-01 -2.6051400000e+00 -6.4290000000e-01 -4.1976000000e-01 -1.7810100000e+00 -1.3386600000e+00  2.0095700000e+00 -1.7010100000e+00 -3.2728900000e+00  2.5499100000e+00 -2.4024100000e+00 -3.6366100000e+00  1.3174200000e+00 -2.1556500000e+00 -2.7928200000e+00 -3.6791800000e+00  9.8616000000e-01  3.4217700000e+00 -4.4860400000e+00  1.3058600000e+00  3.0180400000e+00 -3.4240400000e+00  2.3505000000e-01  2.8860600000e+00 -3.1596000000e+00 -9.8970000000e-01  1.6214800000e+00 -2.8926900000e+00 -4.6592000000e-01  8.6606000000e-01 -3.8834300000e+00 -1.5260200000e+00  1.2979500000e+00  2.4599200000e+00  2.4031600000e+00 -1.1619100000e+00  3.2605100000e+00  2.7859100000e+00 -8.0302000000e-01  2.5841600000e+00  1.4583700000e+00 -1.0715100000e+00 -8.7749000000e-01  1.6448200000e+00  2.5772500000e+00 -1.6721600000e+00  1.7915100000e+00  3.0902900000e+00 -9.1003000000e-01  2.3093500000e+00  1.8890900000e+00 -1.1767900000e+00 -3.1027000000e-01 -5.4498000000e-01 -9.1732000000e-01 -3.9429000000e-01  3.7254000000e-01 -6.8922000000e-01  4.4930000000e-01 -8.6367000000e-01 -3.2646000000e-01 -1.0448000000e+00  2.2447500000e+00 -4.1771000000e-01 -1.7814000000e-01  2.6407300000e+00 -1.2239600000e+00 -1.3678300000e+00  2.1648200000e+00  2.7855500000e+00 -3.5485000000e-01 -9.8487000000e-01  2.6544400000e+00 -1.1524800000e+00 -4.7221000000e-01  2.6154100000e+00 -6.1986000000e-01 -1.8887800000e+00  1.9602800000e+00 -2.5459700000e+00  7.3524000000e-01  2.7676000000e+00 -2.4983200000e+00  1.2472800000e+00  1.3142900000e+00 -2.0745500000e+00  1.2612500000e+00 -2.0964000000e-01  3.3555600000e+00 -5.6666000000e-01 -3.4281000000e-01  2.9123700000e+00 -1.4045600000e+00  7.0338000000e-01  3.1756800000e+00 -3.4247000000e-01  9.4660000000e-02  1.1801000000e+00 -2.6159500000e+00  3.1759000000e-01  3.5936000000e-01 -3.0551800000e+00  8.6600000000e-01  1.7339600000e+00 -2.7364100000e+00
ENERGY -9.171918189520e+02
EMD0 -3.612131810000e+02
FORCES  -7.9185000000e-03  5.2267000000e-03  1.0790100000e-02 -6.2514000000e-03  7.5923000000e-03 -1.5610000000e-03  1.1592700000e-02 -9.4554000000e-03 -2.6416000000e-03 -8.0657000000e-03 -3.2916000000e-03  6.9283000000e-03 -4.4723000000e-03 -3.3811000000e-03  4.2556000000e-03  1.7682400000e-02  6.0081000000e-03 -1.3676700000e-02 -1.0729000000e-03 -1.1106000000e-02 -3.5322000000e-03  1.6730000000e-03 -4.2765000000e-03 -2.7207000000e-03 -1.8784000000e-03  1.1801900000e-02  2.5539000000e-03  6.5410000000e-04  1.2624000000e-03  2.3853000000e-03 -5.2488000000e-03 -5.2812000000e-03  1.0009900000e-02  1.5632000000e-03  5.4033000000e-03 -3.7970000000e-03  1.2397000000e-03 -1.0528000000e-02 -1.7320000000e-04 -5.8300000000e-04 -5.0006000000e-03  2.2517000000e-03  1.9084000000e-03  1.8918000000e-02 -5.7081000000e-03  1.3176000000e-03 -4.6160000000e-04 -5.3280000000e-04  9.4845000000e-03  2.5460000000e-03 -7.3992000000e-03 -6.1863000000e-03 -1.2406000000e-03  8.3457000000e-03  7.5678000000e-03  1.8532000000e-03 -4.1526000000e-03 -9.6057000000e-03  3.8637000000e-03 -1.0287800000e-02 -2.2545000000e-03 -9.4717000000e-03  1.2349000000e-02 -4.5727000000e-03  1.0429300000e-02  1.1231500000e-02 -5.2041000000e-03 -1.5214800000e-02 -6.3800000000e-04  6.9229000000e-03  8.6859000000e-03 -4.3149000000e-03 -4.8250000000e-03 -1.2393300000e-02 -1.7247000000e-03  5.4627000000e-03  3.4858000000e-03 -7.4579000000e-03  8.9600000000e-05  6.6096000000e-03  1.2400200000e-02 -5.1213000000e-03 -5.5789000000e-03  5.3810000000e-04 -3.9813000000e-03  6.5148000000e-03 -1.9310000000e-04  1.2393900000e-02 -6.7509000000e-03 -9.7023000000e-03  7.5109000000e-03  2.7590000000e-04 -7.7824000000e-03  3.7433000000e-03  1.1968000000e-03  1.7247000000e-03 -8.9963000000e-03  1.2134000000e-03  3.0444000000e-03 -8.4800000000e-04 -4.2000000000e-05 -8.2270000000e-04  2.7004000000e-03  5.6476000000e-03  2.7783000000e-03 -6.4208000000e-03 -5.0607000000e-03 -2.7681000000e-03

JOB 281
COORDS   1.3902400000e+00 -3.4049400000e+00 -1.5434800000e+00  1.7715600000e+00 -3.1644600000e+00 -6.9909000000e-01  1.3225800000e+00 -4.3592600000e+00 -1.5131800000e+00 -1.4902700000e+00 -3.4664700000e+00 -1.6390700000e+00 -5.7318000000e-01 -3.2112400000e+00 -1.5388900000e+00 -1.5068000000e+00 -3.9935600000e+00 -2.4379100000e+00 -2.5090300000e+00  1.4169500000e+00  1.5821100000e+00 -3.0004400000e+00  1.4453200000e+00  2.4030500000e+00 -2.7992000000e+00  6.1020000000e-01  1.1564700000e+00 -2.4401500000e+00 -1.2583800000e+00  1.4596000000e-01 -1.8008800000e+00 -9.4622000000e-01 -4.9444000000e-01 -2.4025800000e+00 -2.2123700000e+00  7.7140000000e-02  2.6965000000e+00  2.8699100000e+00  5.4684000000e-01  3.0089400000e+00  2.8554300000e+00  1.4515000000e+00  3.0785300000e+00  2.0878800000e+00  1.4846000000e-01  2.5489000000e-01  1.1812100000e+00  1.7433400000e+00 -6.4618000000e-01  1.3978700000e+00  1.5038400000e+00  7.3691000000e-01  1.2121000000e+00  9.1694000000e-01 -1.4280900000e+00  2.4561800000e+00 -1.1484000000e+00 -7.1688000000e-01  3.0627400000e+00 -9.4224000000e-01 -1.9429100000e+00  2.4073400000e+00 -3.4292000000e-01 -2.1300000000e-01 -1.5080500000e+00  1.7309400000e+00  6.4330000000e-02 -6.0907000000e-01  1.9074800000e+00 -1.1227400000e+00 -1.4266900000e+00  1.4446000000e+00  2.0955100000e+00  1.3320000000e-01 -3.7301000000e-01  2.2143900000e+00 -6.9495000000e-01  9.2030000000e-02  1.4434900000e+00 -6.1110000000e-02 -1.0463200000e+00  2.3247600000e+00 -2.4850700000e+00  1.0358100000e+00  2.8429600000e+00 -2.3752400000e+00  1.8330900000e+00  1.4262400000e+00 -2.2949400000e+00  1.3055000000e+00  5.3230000000e-02  4.0066600000e+00  2.0622000000e-01  2.9247000000e-01  4.7921300000e+00 -2.8574000000e-01  8.8044000000e-01  3.6889800000e+00  5.6822000000e-01 -7.7476000000e-01  9.9250000000e-02 -2.3043400000e+00 -9.1000000000e-01  1.8092000000e-01 -3.2484200000e+00 -1.0100200000e+00  9.5801000000e-01 -1.9530300000e+00
ENERGY -9.171890091761e+02
EMD0 -3.469197260000e+02
FORCES   9.2886000000e-03  4.0810000000e-03  2.4479000000e-03 -8.6921000000e-03 -5.9901000000e-03 -7.6446000000e-03 -2.8088000000e-03  3.8809000000e-03  2.8720000000e-03  5.8635000000e-03  3.6105000000e-03 -2.7467000000e-03 -1.2857200000e-02 -6.3376000000e-03 -9.8120000000e-04  5.4767000000e-03 -4.9970000000e-04  1.1027000000e-03  3.0032000000e-03  6.7400000000e-05  2.4496000000e-03 -2.5121000000e-03 -5.9631000000e-03 -3.2125000000e-03  6.6660000000e-04  1.1012800000e-02  7.7239000000e-03 -2.0160000000e-03 -5.7274000000e-03 -1.2188400000e-02 -9.7180000000e-04 -3.1130000000e-03  1.4906800000e-02  6.6914000000e-03  7.0172000000e-03  8.3861000000e-03 -1.9477000000e-03 -6.1491000000e-03 -6.8050000000e-03  8.6360000000e-04 -2.6388000000e-03 -3.6090000000e-03  7.0192000000e-03  7.7312000000e-03  9.1472000000e-03 -4.8985000000e-03  3.0635000000e-03  6.9650000000e-04  1.3302300000e-02 -6.0011000000e-03 -7.5343000000e-03 -1.3318900000e-02  1.2854000000e-03  5.0686000000e-03  1.2521200000e-02  1.5577500000e-02  1.2933000000e-02 -6.6955000000e-03 -4.2695000000e-03 -7.7531000000e-03  4.1755000000e-03 -6.8180000000e-04 -4.2558000000e-03 -1.2988900000e-02  1.5646600000e-02 -5.1812000000e-03 -4.7253000000e-03 -1.7466300000e-02 -3.9302000000e-03  7.5106000000e-03  2.4898000000e-03  5.0061000000e-03  2.6554000000e-03 -7.0886000000e-03 -1.4514000000e-03 -6.8527000000e-03  8.4834000000e-03 -4.8563000000e-03  4.7720000000e-03 -2.4252000000e-03  9.1823000000e-03 -6.0647000000e-03 -5.2876000000e-03  3.1313000000e-03 -6.2707000000e-03  3.7240000000e-03  1.7055000000e-03  2.3957500000e-02 -5.9320000000e-04 -4.8488000000e-03 -3.4797000000e-03 -1.3944600000e-02  1.4228000000e-03  1.4791000000e-03 -5.4964000000e-03 -7.8770000000e-04 -1.0064300000e-02  1.1137100000e-02 -2.4435000000e-03 -6.3105000000e-03  1.1651500000e-02  1.8481000000e-03 -3.5340000000e-04  6.8023000000e-03  1.5915000000e-03  4.5824000000e-03 -1.7589000000e-02 -1.1391900000e-02

JOB 282
COORDS   1.4413000000e-01 -4.3654500000e+00 -1.0476200000e+00  1.0633900000e+00 -4.2247100000e+00 -8.2090000000e-01  7.1860000000e-02 -5.3105400000e+00 -1.1810800000e+00 -1.1091500000e+00 -2.4278300000e+00  8.9234000000e-01 -8.8899000000e-01 -3.3252400000e+00  6.4253000000e-01 -1.0616200000e+00 -1.9325700000e+00  7.4600000000e-02 -2.0749900000e+00  5.2053000000e-01  2.0178700000e+00 -2.0929800000e+00  1.6861000000e-01  2.9078500000e+00 -2.8948900000e+00  1.0076300000e+00  1.9358000000e+00 -1.6215500000e+00 -3.9487000000e-01 -1.1255100000e+00 -1.6934400000e+00  2.4456000000e-01 -1.8341700000e+00 -2.2659000000e+00 -1.0892000000e-01 -4.7799000000e-01  4.4000000000e-02  3.0082200000e+00  2.5716500000e+00  9.8914000000e-01  3.1461000000e+00  2.6344500000e+00 -4.6520000000e-02  2.1635800000e+00  2.1304900000e+00  6.2159000000e-01  5.8899000000e-01  1.0902600000e+00 -2.5246000000e-01  2.0230000000e-01  1.1426600000e+00  1.0235300000e+00  1.7131000000e-01  3.2855000000e-01  1.0396300000e+00  2.6366700000e+00 -1.9443900000e+00  8.1460000000e-01  3.3280600000e+00 -1.3218400000e+00  1.1577300000e+00  1.8558200000e+00 -1.4035000000e+00  9.1308000000e-01 -2.0894400000e+00  2.2516500000e+00  1.1920200000e+00 -1.1743200000e+00  2.2203600000e+00  3.1010000000e-02 -2.0843100000e+00  1.8799600000e+00  1.4572400000e+00 -1.9737000000e-01 -1.3332800000e+00  1.6036700000e+00 -1.1414600000e+00 -1.2743100000e+00  8.2658000000e-01 -9.6400000000e-02 -2.0462400000e+00  2.4054900000e+00 -2.8439000000e+00 -2.1673000000e-01  3.0900700000e+00 -2.2111300000e+00  5.2000000000e-04  1.7715400000e+00 -2.7658400000e+00  4.9619000000e-01 -4.0391000000e-01  4.1775400000e+00  2.0490000000e-02 -1.3177800000e+00  4.2463700000e+00 -2.5581000000e-01 -4.4981000000e-01  3.8859800000e+00  9.3105000000e-01 -1.3430500000e+00  1.4281300000e+00 -3.1587700000e+00 -1.2242800000e+00  1.3682400000e+00 -4.1066800000e+00 -5.8386000000e-01  1.9242700000e+00 -2.8526500000e+00
ENERGY -9.171715417616e+02
EMD0 -3.130794510000e+02
FORCES   3.1303000000e-03  3.2643000000e-03 -5.9497000000e-03 -9.3252000000e-03 -6.5217000000e-03  3.0690000000e-03  5.1831000000e-03  2.0858000000e-03  1.9575000000e-03  1.4874400000e-02  3.1892000000e-03  5.0633000000e-03  5.2370000000e-04  8.1028000000e-03  5.4458000000e-03  4.5851000000e-03 -6.9866000000e-03  1.0645700000e-02  2.4249000000e-03 -1.1809000000e-03 -1.8900000000e-04 -4.1432000000e-03  4.8626000000e-03 -1.9222000000e-03  4.4840000000e-04 -3.6275000000e-03  3.2005000000e-03  2.7546000000e-03  5.4149000000e-03 -1.4540800000e-02 -4.3341000000e-03 -4.6717000000e-03  1.7044200000e-02  9.3390000000e-04  2.7290000000e-03 -5.8653000000e-03  3.4607000000e-03 -7.8292000000e-03  2.2086000000e-03 -1.8652000000e-03 -1.2871000000e-03 -1.7810000000e-03 -1.8274000000e-03  1.1165100000e-02  2.8899000000e-03  1.3331000000e-03  7.5020000000e-04 -1.7615200000e-02  1.0701000000e-02 -3.6768000000e-03  5.6560000000e-04 -4.0725000000e-03 -5.2683000000e-03  1.4719300000e-02  5.7079000000e-03  8.3212000000e-03  8.4494000000e-03  7.8775000000e-03 -9.2758000000e-03 -6.2090000000e-03 -7.7885000000e-03  2.9369000000e-03 -4.2913000000e-03 -3.1761700000e-02 -1.7620000000e-04 -8.0332000000e-03 -4.2335000000e-03 -6.4777000000e-03 -4.6331000000e-03  1.4618600000e-02  3.6968000000e-03  4.1007000000e-03 -2.1241000000e-03  9.1770000000e-04  4.7450000000e-03 -5.6962000000e-03  1.2324500000e-02 -1.2501000000e-03  5.6489000000e-03 -1.4321000000e-03  8.2640000000e-04  3.2420000000e-03 -6.9274000000e-03  1.1314100000e-02 -7.1481000000e-03  3.7584000000e-03 -3.3290000000e-04  6.3272000000e-03 -1.5700000000e-03 -2.0270700000e-02  5.1821000000e-03 -2.3641000000e-03  9.7493000000e-03  1.4290000000e-04 -2.3863000000e-03  6.3944000000e-03 -8.9176000000e-03  3.7928000000e-03 -1.5843400000e-02  1.4651000000e-03  4.8068000000e-03  4.1483000000e-03  5.5495000000e-03  3.4455000000e-03  2.2588000000e-03 -1.2877400000e-02 -1.3905000000e-02 -1.0068900000e-02

JOB 283
COORDS   4.6440000000e-02 -2.9647800000e+00 -3.0042000000e-01  4.9420000000e-01 -2.2750400000e+00 -7.9032000000e-01  5.2635000000e-01 -3.0225500000e+00  5.2577000000e-01 -2.7207400000e+00 -1.2329500000e+00  3.0636000000e-01 -2.1838700000e+00 -1.7937400000e+00 -2.5356000000e-01 -2.8196700000e+00 -4.2124000000e-01 -1.9121000000e-01 -1.3783400000e+00 -2.1018700000e+00  2.7354200000e+00 -1.8794900000e+00 -2.0179600000e+00  1.9242300000e+00 -1.7582600000e+00 -2.8628000000e+00  3.1746100000e+00 -2.1591100000e+00  1.5432300000e+00 -1.1084600000e+00 -2.1528800000e+00  1.6877700000e+00 -2.0546700000e+00 -1.6345300000e+00  2.2604900000e+00 -7.5267000000e-01 -9.2514000000e-01  2.4142500000e+00  2.1222900000e+00 -1.8127700000e+00  2.0560000000e+00  2.1218300000e+00 -4.3159000000e-01  1.8318400000e+00  2.6997300000e+00  4.5286000000e-01  9.2840000000e-02  2.5747500000e+00 -3.0437000000e-01 -4.8642000000e-01  2.4893100000e+00  6.4256000000e-01  3.7346000000e-01  1.6794900000e+00  1.0354500000e+00  2.0075000000e+00 -3.2512900000e+00  1.3032800000e+00  2.8047000000e+00 -2.7941700000e+00  4.9234000000e-01  1.5385500000e+00 -2.6177600000e+00  1.9037600000e+00 -2.3127800000e+00  2.3475800000e+00  1.5036200000e+00 -1.5180400000e+00  2.7004400000e+00  1.8362400000e+00 -2.9511000000e+00  3.0576700000e+00  1.6664000000e+00 -5.6539000000e-01 -9.8269000000e-01  2.1923000000e+00 -1.3449900000e+00 -1.1612500000e+00  2.0794200000e+00  1.2629000000e-01 -1.4996300000e+00  3.9443800000e+00 -2.4565900000e+00  3.1940000000e-02  4.7277200000e+00 -2.9736200000e+00  2.1980000000e-01  3.4060600000e+00 -2.5419900000e+00  8.1879000000e-01 -3.5323000000e-01  3.9271300000e+00 -2.5509000000e-01  8.8990000000e-02  4.6446200000e+00  1.9866000000e-01 -4.1291000000e-01  3.2303900000e+00  3.9853000000e-01 -1.5902100000e+00  1.6261900000e+00 -4.2594500000e+00 -1.9896600000e+00  2.1277600000e+00 -4.9701500000e+00 -6.6959000000e-01  1.8880800000e+00 -4.2688200000e+00
ENERGY -9.171518266746e+02
EMD0 -2.856462000000e+02
FORCES   4.1288000000e-03  8.1070000000e-04  1.8440000000e-03  3.5434000000e-03 -5.1631000000e-03  2.8173000000e-03 -9.0180000000e-04 -7.1460000000e-04 -8.7707000000e-03 -2.2117000000e-03  6.3412000000e-03 -1.7946000000e-03 -5.6849000000e-03  6.4776000000e-03  2.3625000000e-03 -3.7600000000e-04 -1.1832300000e-02 -8.9140000000e-04 -1.2257000000e-03  2.9196000000e-03 -2.3573000000e-03  6.3007000000e-03 -8.6262000000e-03  1.2000300000e-02 -3.0557000000e-03 -7.4140000000e-04 -6.0843000000e-03 -2.9536000000e-03  3.4626000000e-03 -2.7993000000e-03  3.6713000000e-03  3.1350000000e-03  1.1492900000e-02  2.3749000000e-03 -3.6812000000e-03 -2.6958000000e-03  5.7605000000e-03 -7.3192000000e-03  6.1755000000e-03  4.3431000000e-03 -1.6873000000e-03  2.3848000000e-03 -9.4212000000e-03  6.1383000000e-03 -3.7136000000e-03 -4.3579000000e-03 -3.1395000000e-03  3.4170000000e-04  9.8575000000e-03  1.1261800000e-02 -7.2689000000e-03 -6.2704000000e-03  5.3420000000e-04  6.0128000000e-03  7.0240000000e-04  1.1130000000e-03 -2.5757000000e-03 -7.1380000000e-04 -5.5347000000e-03  1.2778000000e-03  2.8662000000e-03  6.0949000000e-03 -3.9569000000e-03 -7.2503000000e-03  1.4091100000e-02  2.2623000000e-03  4.4909000000e-03 -1.5628600000e-02  3.7246000000e-03 -6.4920000000e-04  4.3549000000e-03  9.8480000000e-04  4.1516000000e-03 -9.6050000000e-04  1.8911000000e-03 -1.1211200000e-02  4.3232000000e-03 -4.6083000000e-03 -2.9470000000e-04 -3.1955000000e-03  1.7249000000e-03 -6.0480000000e-04  2.3791000000e-03  1.1651000000e-03 -3.4747000000e-03 -7.8900000000e-05  5.7042000000e-03  1.0605100000e-02 -6.0349000000e-03 -8.2957000000e-03 -4.9751000000e-03  1.5927000000e-03  9.2357000000e-03  1.8231000000e-03 -3.2329000000e-03  9.1990000000e-04  1.0848000000e-03  4.3221000000e-03 -1.5498800000e-02  5.3740000000e-03 -2.9074000000e-03 -1.2055000000e-03  6.3743000000e-03  1.3282000000e-03  1.7170000000e-04 -1.1819700000e-02 -2.0210000000e-04 -1.9771000000e-03

JOB 284
COORDS  -9.4769000000e-01 -3.4875400000e+00  3.4488000000e-01 -3.3685000000e-01 -3.8227700000e+00 -3.1142000000e-01 -4.6394000000e-01 -2.7915400000e+00  7.8963000000e-01 -2.6820900000e+00 -1.1391400000e+00  1.4914000000e-01 -2.3475800000e+00 -1.9520400000e+00 -2.2971000000e-01 -3.6082200000e+00 -1.1251000000e+00 -9.2380000000e-02 -1.4651700000e+00  1.6640000000e-02  2.4312300000e+00 -2.0145900000e+00 -3.5009000000e-01  1.7385000000e+00 -1.8486900000e+00 -3.1555000000e-01  3.2428900000e+00 -5.4451000000e-01  7.0850000000e-01 -2.2113000000e+00 -1.2587000000e-01 -8.4000000000e-04 -1.7236500000e+00 -1.2462000000e-01  1.5044300000e+00 -1.8850800000e+00 -2.1969100000e+00  2.8951200000e+00 -4.3242000000e-01 -2.4425700000e+00  2.3282700000e+00 -1.1635600000e+00 -1.8119900000e+00  2.3017200000e+00  2.1251000000e-01  5.8524000000e-01 -1.7164300000e+00  1.9983500000e+00 -1.8596000000e-01 -1.2243600000e+00  2.2800500000e+00  8.9435000000e-01 -1.2531300000e+00  1.2198700000e+00  1.4271500000e+00  2.2614400000e+00 -1.0853700000e+00  1.0199400000e+00  3.0718400000e+00 -7.7932000000e-01  1.8093300000e+00  2.4900000000e+00 -1.9326800000e+00  3.2951900000e+00 -2.8753300000e+00  2.3500100000e+00  2.4699500000e+00 -2.4035900000e+00  2.2374600000e+00  3.4530100000e+00 -2.8609800000e+00  3.2940000000e+00  1.4984400000e+00 -3.8688000000e-01 -1.7833000000e-01  2.2573200000e+00 -7.9011000000e-01 -5.9993000000e-01  1.5257800000e+00  5.2781000000e-01 -4.5908000000e-01  3.9965400000e+00 -2.2463300000e+00 -3.4436000000e-01  4.5131200000e+00 -3.0412000000e+00 -4.7687000000e-01  4.0570100000e+00 -2.0746900000e+00  5.9538000000e-01 -1.3987000000e-01  4.4012700000e+00 -2.0300000000e-03 -1.1858000000e-01  5.3190000000e+00  2.6915000000e-01 -1.0369000000e+00  4.2613900000e+00 -3.0534000000e-01 -2.8441600000e+00  1.5634800000e+00 -2.9738200000e+00 -3.3164900000e+00  9.2573000000e-01 -3.5090000000e+00 -1.9203700000e+00  1.3505500000e+00 -3.1061500000e+00
ENERGY -9.171719284257e+02
EMD0 -3.117669100000e+02
FORCES   8.9299000000e-03 -1.0973000000e-03  1.5362900000e-02  1.4090000000e-04  4.8127000000e-03  1.0753000000e-03 -8.7477000000e-03 -2.9312000000e-03 -1.7140800000e-02  7.2885000000e-03 -3.5749000000e-03 -1.0289000000e-03 -1.1905800000e-02  1.0445600000e-02 -4.0679000000e-03  2.4821000000e-03 -6.0888000000e-03 -1.0765000000e-03 -7.8960000000e-04  4.5877000000e-03 -8.8457000000e-03  7.2175000000e-03  2.1120000000e-03  1.7723900000e-02  9.0080000000e-04 -5.1782000000e-03 -6.1848000000e-03 -3.2125000000e-03  1.4688000000e-03  5.7165000000e-03  1.4474000000e-03  6.8565000000e-03 -1.9254000000e-03 -5.7453000000e-03 -2.9520000000e-03 -5.4817000000e-03 -1.8364000000e-03  2.2851000000e-03 -3.8966000000e-03  9.8992000000e-03  2.2107000000e-03  1.2922500000e-02 -5.5260000000e-04  5.9440000000e-04 -6.3309000000e-03 -5.9297000000e-03  2.0693700000e-02  3.8479000000e-03  4.0019000000e-03 -1.2535400000e-02 -8.6964000000e-03 -7.3489000000e-03 -1.4024900000e-02  8.5898000000e-03 -2.3573000000e-03  2.5579000000e-03  1.2419800000e-02  8.6866000000e-03 -1.3741600000e-02 -1.7439600000e-02 -6.8893000000e-03  2.7826000000e-03  1.7861000000e-03 -8.4733000000e-03 -3.1305000000e-03  9.1400000000e-05  1.5273600000e-02 -2.6340000000e-04  1.6950000000e-04 -3.1111000000e-03  1.7576000000e-03 -1.0874000000e-03  6.4200000000e-04  7.2792000000e-03  9.2286000000e-03 -6.7401000000e-03  1.1407700000e-02 -1.1090000000e-04  1.2458000000e-03 -1.6812100000e-02 -6.4746000000e-03 -5.2590000000e-04 -5.9034000000e-03  6.1752000000e-03  2.2152000000e-03  1.7390000000e-03  2.8662000000e-03  2.3566000000e-03  2.6388000000e-03 -1.0450500000e-02 -1.1241500000e-02 -1.1760200000e-02  7.5130000000e-04 -8.8775000000e-03 -1.0161000000e-03 -2.8150000000e-03  1.2361900000e-02  1.5442700000e-02  4.9201000000e-03  1.1059200000e-02 -6.9174000000e-03  6.8256000000e-03  5.7914000000e-03 -1.4172000000e-03 -2.1606000000e-03 -7.6558000000e-03  7.6718000000e-03 -5.2582000000e-03

JOB 285
COORDS  -1.1873300000e+00 -1.5142800000e+00 -2.0061000000e-01 -8.1296000000e-01 -1.7860600000e+00 -1.0386000000e+00 -4.4456000000e-01 -1.5073600000e+00  4.0310000000e-01 -3.2014500000e+00 -2.3819300000e+00  1.4249700000e+00 -3.0964500000e+00 -2.1262900000e+00  5.0854000000e-01 -3.7607400000e+00 -3.1581600000e+00  1.3950300000e+00 -2.1876800000e+00  1.0871000000e-01  2.4849300000e+00 -2.4831700000e+00 -6.1071000000e-01  1.9269400000e+00 -2.9493800000e+00  3.2312000000e-01  3.0235300000e+00  1.3287000000e-01  3.3840000000e-02 -3.9532900000e+00  8.4467000000e-01  1.2547000000e-01 -3.3199000000e+00  5.0234000000e-01 -5.0440000000e-01 -4.6533000000e+00 -2.0039300000e+00  2.2979200000e+00  1.2263000000e-01 -2.0214600000e+00  1.8970300000e+00 -7.4640000000e-01 -2.1619200000e+00  1.5712800000e+00  7.2535000000e-01  4.5269000000e-01 -4.1556000000e-01  1.6738900000e+00 -2.6022000000e-01  4.7650000000e-02  2.1137100000e+00  6.6952000000e-01  1.3597000000e-01  9.2221000000e-01  1.9509500000e+00  1.6828000000e+00  2.2163000000e-01  1.4580400000e+00  2.4343900000e+00 -1.0759000000e-01  2.2790000000e+00  1.9661300000e+00  1.0750500000e+00  2.2608700000e+00 -2.2728300000e+00  2.2835300000e+00  1.6345600000e+00 -1.5592400000e+00  2.1620200000e+00  2.3394300000e+00 -2.3640900000e+00  3.2331300000e+00  2.2416700000e+00 -1.5574000000e-01 -2.0238600000e+00  2.6177500000e+00 -5.7309000000e-01 -1.2488700000e+00  2.2895500000e+00  7.8211000000e-01 -1.8384500000e+00  3.2051200000e+00 -1.9434600000e+00 -3.1765000000e-01  3.3861000000e+00 -2.8820300000e+00 -3.6816000000e-01  3.0643100000e+00 -1.7760100000e+00  6.1421000000e-01  4.2936000000e-01  3.9342800000e+00  2.1527000000e-01  2.2752000000e-01  4.4309400000e+00  1.0082500000e+00 -4.0773000000e-01  3.5519100000e+00 -4.7990000000e-02 -2.0417300000e+00  6.8477000000e-01 -1.9873900000e+00 -1.5082800000e+00 -1.0415000000e-01 -1.8911400000e+00 -2.2083500000e+00  7.4856000000e-01 -2.9278100000e+00
ENERGY -9.171694220242e+02
EMD0 -3.030088810000e+02
FORCES   4.7186000000e-03  1.7985000000e-03  1.6392500000e-02 -4.8620000000e-04  5.1604000000e-03  3.5073000000e-03 -2.8444000000e-03 -2.1830000000e-03 -1.4438900000e-02  9.0780000000e-03  1.3760000000e-04  2.0967000000e-03 -1.1932700000e-02 -2.4042000000e-03  5.9131000000e-03  1.5399000000e-03  1.2975000000e-03 -7.8540000000e-03 -9.6900000000e-05 -9.8424000000e-03  4.6907000000e-03  2.1470000000e-04  1.3240700000e-02  2.9400000000e-05 -2.0489000000e-03 -2.4950000000e-03 -3.9196000000e-03  8.0431000000e-03  1.4513000000e-03  5.5952000000e-03 -7.0598000000e-03  3.8338000000e-03 -1.0778200000e-02  1.3395000000e-03  5.8610000000e-04  2.2313000000e-03 -5.2847000000e-03 -1.2622600000e-02 -7.7291000000e-03  2.1982000000e-03  6.9007000000e-03  1.1560600000e-02 -1.2315000000e-03  1.3992000000e-03 -8.4216000000e-03 -1.9551000000e-03  7.9460000000e-04  4.2026000000e-03  1.1408500000e-02  1.5627000000e-03 -1.0134500000e-02 -1.2425400000e-02 -1.1096600000e-02  7.0202000000e-03 -3.6884000000e-03  1.5230200000e-02 -6.7640000000e-04  5.9927000000e-03 -1.1287300000e-02 -2.5182000000e-03 -2.4342000000e-03 -2.1320000000e-04 -3.3570000000e-04 -9.7027000000e-03  5.8877000000e-03 -4.5974000000e-03  1.4899200000e-02 -9.0803000000e-03  3.2402000000e-03 -5.0860000000e-03  4.0392000000e-03 -4.2610000000e-04  9.7289000000e-03 -1.6224300000e-02  1.3112600000e-02 -4.0599000000e-03  1.5908200000e-02 -1.1867000000e-03 -2.6841000000e-03 -3.5029000000e-03 -3.5935000000e-03 -2.9441000000e-03 -4.2200000000e-05 -7.1300000000e-04  7.1530000000e-04 -7.0900000000e-05  3.9888000000e-03 -6.2540000000e-04  3.2325000000e-03 -1.1291300000e-02 -3.3578000000e-03 -6.0682000000e-03  1.4094000000e-03 -3.5643000000e-03 -9.0600000000e-04 -1.3316000000e-03  1.3742800000e-02  8.8383000000e-03 -2.5100000000e-04  5.5432000000e-03  3.5563000000e-03  7.1144000000e-03 -2.7618000000e-03 -2.4975000000e-03 -5.1578000000e-03 -2.8888000000e-03 -4.3188000000e-03  3.2494000000e-03

JOB 286
COORDS  -1.5872000000e-01 -2.4276800000e+00  2.8110000000e-01  5.1200000000e-01 -2.0478900000e+00 -2.8645000000e-01 -2.3677000000e-01 -1.8092000000e+00  1.0074800000e+00 -2.6666700000e+00 -1.5744400000e+00 -5.0652000000e-01 -2.6597500000e+00 -6.6884000000e-01 -8.1647000000e-01 -1.7488500000e+00 -1.7708400000e+00 -3.1870000000e-01 -2.5894100000e+00 -8.0480000000e-02  2.0625200000e+00 -3.4335700000e+00 -3.6167000000e-01  1.7095700000e+00 -2.3163300000e+00  6.3594000000e-01  1.4894600000e+00 -1.3690900000e+00 -1.0163400000e+00 -2.8427000000e+00 -4.4800000000e-01 -1.1291500000e+00 -2.6079600000e+00 -1.8187700000e+00 -1.7384000000e+00 -2.4038000000e+00 -1.3927400000e+00  1.8579400000e+00  6.0689000000e-01 -1.6477400000e+00  1.7203700000e+00 -3.0541000000e-01 -5.2838000000e-01  2.2659600000e+00  5.5555000000e-01  1.3733000000e-01 -2.7834000000e-01  2.1309800000e+00 -7.4238000000e-01 -3.2913000000e-01  2.5048400000e+00  1.4513000000e-01  5.4751000000e-01  1.6470900000e+00  1.6072100000e+00  1.8438200000e+00  1.6417000000e-01  1.6657000000e+00  2.7423800000e+00  4.8882000000e-01  2.3036200000e+00  1.3762500000e+00  6.2528000000e-01  2.1593700000e+00 -2.2730300000e+00  2.1125700000e+00  1.4629000000e+00 -1.6221300000e+00  2.0260400000e+00  1.9893000000e+00 -2.9012400000e+00  1.4106800000e+00  1.3865400000e+00 -6.7942000000e-01 -1.9124600000e+00  2.3169300000e+00 -8.9218000000e-01 -1.8394200000e+00  1.3496700000e+00  2.7219000000e-01 -1.8159100000e+00  3.7019000000e+00 -1.4505300000e+00 -2.8260000000e-02  4.6548600000e+00 -1.4227900000e+00  5.7330000000e-02  3.3832900000e+00 -1.5532100000e+00  8.6850000000e-01  1.0934500000e+00  4.4563300000e+00  1.2760000000e-01  1.1085100000e+00  4.2102100000e+00 -7.9729000000e-01  1.5312200000e+00  5.3070600000e+00  1.5671000000e-01 -2.0631000000e+00  1.4091700000e+00 -2.0739400000e+00 -2.5952800000e+00  1.9086500000e+00 -2.6932500000e+00 -1.7904300000e+00  6.3302000000e-01 -2.5633100000e+00
ENERGY -9.171736716201e+02
EMD0 -3.217655020000e+02
FORCES   8.1700000000e-04  3.5717000000e-03  8.2132000000e-03 -4.3075000000e-03 -4.0775000000e-03  8.4522000000e-03  1.5675000000e-03 -6.7730000000e-03 -9.3983000000e-03  1.1861000000e-02 -4.1931000000e-03  7.7562000000e-03  4.9422000000e-03 -4.8350000000e-03  9.8190000000e-04 -8.8763000000e-03  1.1834400000e-02 -1.0738400000e-02  6.3767000000e-03  1.3144000000e-03 -5.9344000000e-03 -7.9820000000e-04  1.0507200000e-02 -3.0364000000e-03 -7.1612000000e-03 -1.1901300000e-02  1.4043000000e-03 -6.1645000000e-03  1.2535000000e-03  8.2459000000e-03 -1.3554700000e-02 -1.6733000000e-03  2.0648000000e-03  1.1712000000e-02  1.6770000000e-03 -2.0443000000e-03 -2.7735000000e-03 -2.2363000000e-03 -3.8970000000e-03  5.6692000000e-03  1.3322000000e-03  1.5636900000e-02 -2.7688000000e-03 -2.1341000000e-03 -3.3251000000e-03 -1.1579500000e-02  3.8122000000e-03  9.0970000000e-04  1.2629600000e-02  3.7432000000e-03 -5.7567000000e-03 -1.1695000000e-03 -1.5234000000e-03  6.7465000000e-03 -1.1978000000e-03  8.5646000000e-03 -2.6022000000e-03  1.6402000000e-03 -1.3713400000e-02 -1.4985000000e-03 -1.3098000000e-03  9.1838000000e-03  1.9715000000e-03 -1.3256300000e-02 -3.2770000000e-04  8.5770000000e-03  7.8437000000e-03 -9.9942000000e-03 -1.1155900000e-02  3.9588000000e-03  9.3027000000e-03 -2.6266000000e-03  4.5124000000e-03 -6.2300000000e-04  1.5352000000e-03 -5.4467000000e-03  8.1770000000e-03 -4.8253000000e-03  4.1074000000e-03 -5.2993000000e-03 -5.3229000000e-03 -8.3175000000e-03 -7.4516000000e-03  1.0486000000e-02 -3.0643000000e-03  6.4690000000e-04  5.4395000000e-03  1.1765400000e-02  4.5762000000e-03 -1.3741700000e-02 -4.4715000000e-03 -7.4890000000e-04  4.1653000000e-03  4.7456000000e-03  1.6490000000e-03  5.5952000000e-03  2.6630000000e-04 -3.1244000000e-03 -6.6964000000e-03  5.6036000000e-03 -1.6385300000e-02 -2.0048000000e-03  2.8714000000e-03 -5.9480000000e-03 -4.9622000000e-03 -6.6724000000e-03  2.1816500000e-02  1.3860000000e-03

JOB 287
COORDS  -9.0603000000e-01 -2.0771000000e+00 -4.1967000000e-01 -2.9622000000e-01 -1.9628700000e+00 -1.1485900000e+00 -4.3735000000e-01 -1.7342900000e+00  3.4129000000e-01 -3.0641500000e+00 -2.4054000000e-01 -3.0742000000e-01 -2.7498800000e+00  5.3016000000e-01 -7.8016000000e-01 -2.3358800000e+00 -8.6040000000e-01 -3.4790000000e-01 -2.7215400000e+00  2.0079000000e-01  2.4759500000e+00 -3.2332900000e+00  1.5830000000e-01  1.6681500000e+00 -2.8732500000e+00  1.0849100000e+00  2.8099200000e+00 -1.8178500000e+00 -6.9260000000e-01 -3.7692500000e+00 -1.0435000000e+00 -1.0592600000e+00 -3.3424500000e+00 -2.5561900000e+00 -1.0582100000e+00 -3.2819900000e+00  8.1088000000e-01  6.9880000000e-01 -1.3722000000e-01  1.1420000000e-01  9.4943000000e-01 -7.4389000000e-01  1.5582600000e+00  4.9703000000e-01 -7.0019000000e-01 -3.3154000000e-01 -7.4405000000e-01  1.8407800000e+00 -1.2143900000e+00 -4.3586000000e-01  2.0453400000e+00  2.4550000000e-02 -7.8580000000e-02  1.2520700000e+00  3.0347300000e+00  6.9360000000e-02 -1.6910600000e+00  3.0845500000e+00  9.6975000000e-01 -2.0120600000e+00  3.5991200000e+00  5.8590000000e-02 -9.1804000000e-01  2.3781300000e+00 -3.8256000000e-01  3.0632500000e+00  2.6597900000e+00 -1.2586300000e+00  3.3266900000e+00  1.4771700000e+00 -5.0052000000e-01  2.7622500000e+00  9.3805000000e-01 -1.5357900000e+00 -2.3406900000e+00  1.2805300000e+00 -1.9023700000e+00 -3.1559000000e+00  1.7132200000e+00 -1.2249400000e+00 -1.8730300000e+00  4.0749400000e+00  1.9763000000e-01  1.0311100000e+00  4.9322000000e+00 -1.5915000000e-01  1.2635900000e+00  3.4972400000e+00 -8.4520000000e-02  1.7402600000e+00 -1.1934800000e+00  2.9886500000e+00  2.2211700000e+00 -1.0365700000e+00  3.9207600000e+00  2.0702000000e+00 -3.2343000000e-01  2.6208200000e+00  2.3759500000e+00 -1.3557400000e+00  1.4205300000e+00 -1.8803400000e+00 -1.8011500000e+00  2.2383300000e+00 -2.1017900000e+00 -1.5882100000e+00  8.2102000000e-01 -2.5894000000e+00
ENERGY -9.171865206666e+02
EMD0 -3.486220430000e+02
FORCES   1.0001600000e-02  1.1815000000e-03  9.1036000000e-03 -2.6414000000e-03  3.2915000000e-03  8.4524000000e-03  2.0881000000e-03 -3.0140000000e-04 -1.8351300000e-02  1.4768700000e-02 -7.0374000000e-03 -1.7494000000e-03 -3.2091000000e-03 -5.3843000000e-03 -1.6500000000e-03 -1.1170500000e-02  1.6757000000e-02 -5.6930000000e-04  7.9329000000e-03 -4.3665000000e-03 -7.0565000000e-03  1.2090000000e-03  7.2455000000e-03  1.5317900000e-02 -7.4959000000e-03 -3.5871000000e-03 -4.1262000000e-03  1.0512000000e-03 -7.2503000000e-03 -8.5998000000e-03 -9.8748000000e-03  3.7737000000e-03 -4.8100000000e-04  6.8659000000e-03  3.7452000000e-03  9.3130000000e-04  2.8970000000e-03 -4.4957000000e-03 -3.4084000000e-03  1.2775600000e-02 -5.2296000000e-03  3.7066000000e-03 -8.0922000000e-03  4.2882000000e-03 -2.5797000000e-03 -2.3434700000e-02  6.3150000000e-03 -2.9714000000e-03  1.6961100000e-02 -2.2620000000e-03 -1.4237200000e-02 -9.5835000000e-03 -7.7892000000e-03  1.0274600000e-02  4.5100000000e-05 -4.6209000000e-03  2.7116000000e-03  2.6300000000e-04 -8.4520000000e-04  7.8508000000e-03 -7.6392000000e-03  4.1440000000e-03 -1.8570500000e-02 -1.2061800000e-02  5.9752000000e-03  4.9460000000e-04  6.2010000000e-04  2.2377000000e-03 -6.4649000000e-03  1.7994100000e-02 -1.5200000000e-03  4.2995000000e-03  5.7746000000e-03  6.2084000000e-03  1.1641400000e-02  1.1658000000e-03  3.4525000000e-03  1.9930000000e-03 -5.9755000000e-03 -1.0015700000e-02 -2.2752000000e-03 -1.6174900000e-02  3.3671000000e-03  1.8650900000e-02 -4.6185000000e-03 -2.7115000000e-03  2.8635000000e-03  2.0293800000e-02 -5.1032000000e-03 -1.1469500000e-02 -1.0270000000e-03 -2.1407000000e-03 -1.0184000000e-03  3.9470000000e-03 -3.2928000000e-03  7.6110000000e-04 -1.3585000000e-03  7.3439000000e-03  2.6720000000e-04  4.0567000000e-03 -7.2668000000e-03 -4.5723000000e-03 -3.4273000000e-03 -6.0867000000e-03 -3.6625000000e-03 -2.9267000000e-03  1.1980900000e-02  1.4493600000e-02

JOB 288
COORDS  -6.6440000000e-02 -3.0084900000e+00  6.5330000000e-02 -7.9090000000e-01 -2.5061000000e+00  4.3816000000e-01  5.8350000000e-01 -3.0491300000e+00  7.6687000000e-01 -3.2452500000e+00  1.9613500000e+00 -6.9230000000e-01 -2.4473800000e+00  1.6776000000e+00 -1.1385300000e+00 -3.8972700000e+00  2.0336900000e+00 -1.3893400000e+00 -2.6518700000e+00  5.6529000000e-01  3.4253300000e+00 -2.8347500000e+00  7.9631000000e-01  4.3360500000e+00 -2.1776600000e+00  1.3202100000e+00  3.0768200000e+00 -4.2121000000e-01 -1.5132100000e+00 -2.3311000000e+00  2.9778000000e-01 -1.2970200000e+00 -2.9248500000e+00 -8.8420000000e-02 -2.2412700000e+00 -1.8063200000e+00  6.2500000000e-01  9.4865000000e-01  6.8001000000e-01  4.0318000000e-01  7.9679000000e-01 -2.3867000000e-01  1.4518100000e+00  4.8346000000e-01  8.0732000000e-01 -6.6691000000e-01 -8.7185000000e-01  2.2584700000e+00 -1.3768500000e+00 -5.0840000000e-01  2.7877400000e+00 -4.9717000000e-01 -2.0434000000e-01  1.5937500000e+00  2.6798500000e+00  1.4840400000e+00 -1.9567800000e+00  2.6558300000e+00  2.3150200000e+00 -1.4822900000e+00  2.5832500000e+00  8.1682000000e-01 -1.2772900000e+00  1.5964700000e+00 -2.1224200000e+00  2.3358900000e+00  1.8813000000e+00 -2.3378000000e+00  3.2239900000e+00  7.9521000000e-01 -1.6131300000e+00  2.4577200000e+00  1.6045500000e+00 -2.5519000000e-01 -3.9106300000e+00  1.8745400000e+00 -3.3239000000e-01 -4.8257100000e+00  2.3029200000e+00  2.5159000000e-01 -3.4963000000e+00  2.8823400000e+00 -7.2045000000e-01  2.0256000000e-01  2.9896400000e+00 -1.4284800000e+00 -4.3258000000e-01  2.6412600000e+00 -1.1627100000e+00  1.0165200000e+00 -1.7343200000e+00  2.5658400000e+00  1.6485500000e+00 -1.0634400000e+00  1.9687200000e+00  1.3174800000e+00 -2.4880400000e+00  2.4208300000e+00  1.0766200000e+00 -7.3227000000e-01  9.9617000000e-01 -1.7139300000e+00  1.8100000000e-03  1.2788700000e+00 -2.2593100000e+00 -7.2196000000e-01  4.0910000000e-02 -1.7740200000e+00
ENERGY -9.171970724661e+02
EMD0 -3.618576510000e+02
FORCES   4.5140000000e-04 -1.8820000000e-04  7.9350000000e-03  4.1696000000e-03 -2.0125000000e-03 -3.2952000000e-03 -6.1007000000e-03  1.1107000000e-03 -5.3262000000e-03  4.5791000000e-03 -5.4020000000e-04  8.5010000000e-04 -1.4791300000e-02  2.9990000000e-03  3.1475000000e-03  5.2486000000e-03 -1.7428000000e-03 -3.9541000000e-03 -2.1394000000e-03  6.8234000000e-03 -9.9860000000e-03  3.1100000000e-03  4.5937000000e-03 -2.7433000000e-03  1.2512000000e-03 -1.8658700000e-02  1.3610100000e-02 -2.7853000000e-03  2.6883000000e-03  1.7755000000e-03 -5.3388000000e-03 -6.0374000000e-03  1.3153800000e-02  4.4099000000e-03  7.0903000000e-03 -1.4845000000e-02  1.4487000000e-03  5.2290000000e-04 -7.2118000000e-03  1.1592000000e-02 -6.6421000000e-03  1.0629500000e-02 -5.4668000000e-03  7.6400000000e-05 -2.7690000000e-03 -1.8769000000e-03  9.0210000000e-03  6.2585000000e-03  1.4069500000e-02  2.7455000000e-03 -1.3868800000e-02 -9.4756000000e-03 -8.3282000000e-03  8.0693000000e-03  4.6212000000e-03  2.2650000000e-03  9.1100000000e-04 -9.8880000000e-04 -4.4847000000e-03  3.1686000000e-03 -4.4648000000e-03  6.7418000000e-03 -8.4148000000e-03 -2.2085100000e-02  7.5054000000e-03  1.4679000000e-03 -5.6204000000e-03  4.3603000000e-03  9.9200000000e-04  2.3631800000e-02 -1.0970600000e-02 -3.5540000000e-04 -2.0634000000e-03  4.5234000000e-03  4.1422000000e-03  5.1773000000e-03  3.5559000000e-03  3.4568000000e-03 -6.5070000000e-04 -1.0061700000e-02 -9.7526000000e-03 -2.8912000000e-03 -5.6814000000e-03  1.1271400000e-02 -4.8400000000e-05  7.3780000000e-04  2.9834000000e-03  3.7838000000e-03  9.0640000000e-03 -1.5589600000e-02 -1.4338000000e-03  8.8353000000e-03 -1.2519300000e-02 -1.2902500000e-02 -3.6802000000e-03  4.7192000000e-03  1.0248700000e-02 -4.2376000000e-03  8.1894000000e-03 -4.1435000000e-03 -1.9031500000e-02 -1.0373600000e-02  1.8870000000e-04 -6.1477000000e-03  7.0134000000e-03  7.2858000000e-03  2.3185400000e-02  7.2600000000e-03

JOB 289
COORDS   4.1469000000e-01 -2.8585500000e+00  5.1625000000e-01  3.7620000000e-02 -2.2450200000e+00  1.1468200000e+00  4.1609000000e-01 -3.7003700000e+00  9.7185000000e-01 -1.8375100000e+00  3.7408400000e+00 -2.5696000000e-01 -1.1172500000e+00  4.0531700000e+00  2.9068000000e-01 -1.4304300000e+00  3.1126600000e+00 -8.5354000000e-01 -3.4713300000e+00 -1.8785000000e-01  2.0519500000e+00 -4.3061100000e+00 -6.5621000000e-01  2.0553200000e+00 -3.7093000000e+00  7.2562000000e-01  1.8933000000e+00 -7.6552000000e-01 -1.3960900000e+00 -2.0363600000e+00 -1.3860000000e-02 -1.5703300000e+00 -2.6028200000e+00 -5.8178000000e-01 -1.8876300000e+00 -1.2358200000e+00  1.2172300000e+00  8.9285000000e-01  1.2555000000e+00  4.7443000000e-01  1.0220200000e+00  6.6576000000e-01  1.7713300000e+00  2.5394000000e-01  8.0718000000e-01 -8.0626000000e-01 -9.7738000000e-01  1.9162800000e+00 -1.6695500000e+00 -5.7560000000e-01  2.0139100000e+00 -1.9747000000e-01 -2.3879000000e-01  1.9070200000e+00  2.0255300000e+00  6.9737000000e-01 -2.1926800000e+00  2.7394400000e+00  1.3113000000e+00 -2.0204500000e+00  2.2125800000e+00 -5.2670000000e-02 -1.6281600000e+00  4.3422400000e+00 -1.6990100000e+00  2.1625400000e+00  5.2251300000e+00 -1.3683400000e+00  2.3280700000e+00  3.8599900000e+00 -1.5088900000e+00  2.9672300000e+00  9.5096000000e-01 -8.2863000000e-01 -4.1822500000e+00  1.2702000000e-01 -4.6434000000e-01 -3.8587600000e+00  1.6204700000e+00 -4.5218000000e-01 -3.6110500000e+00  2.5142800000e+00 -9.8815000000e-01 -3.5200000000e-02  1.8253100000e+00 -1.6512900000e+00  7.2900000000e-03  3.2453500000e+00 -1.3701700000e+00  4.5042000000e-01 -4.2979100000e+00  2.2616700000e+00  1.6322100000e+00 -5.2313100000e+00  2.4528400000e+00  1.5402600000e+00 -3.8653500000e+00  3.1036300000e+00  1.4900100000e+00 -3.5558000000e-01  1.3304100000e+00 -9.5597000000e-01  4.9751000000e-01  1.3212000000e+00 -1.3900000000e+00 -8.1845000000e-01  5.7601000000e-01 -1.3204700000e+00
ENERGY -9.171759891050e+02
EMD0 -3.386730120000e+02
FORCES  -1.2612900000e-02  7.2228000000e-03  9.7140000000e-03  1.9177400000e-02 -1.6364700000e-02 -9.7873000000e-03 -2.8420000000e-03  4.1213000000e-03  5.6392000000e-03  3.6095000000e-03 -8.5777000000e-03 -4.4682000000e-03 -7.8630000000e-04 -9.1830000000e-04 -1.9832000000e-03 -1.2327000000e-03  1.2074400000e-02  1.5536000000e-03 -4.9910000000e-04  1.2436800000e-02 -3.0648000000e-03 -3.8864000000e-03  6.7385000000e-03 -7.1960000000e-04 -1.8400000000e-03 -1.3746700000e-02  2.5119000000e-03 -8.5890000000e-04 -6.7467000000e-03 -5.8824000000e-03 -3.2111000000e-03  7.2752000000e-03  6.3605000000e-03  4.5963000000e-03  6.0644000000e-03 -1.0027000000e-02  7.0429000000e-03 -6.4529000000e-03 -1.7225300000e-02  7.3740000000e-03 -1.0549900000e-02  1.0684700000e-02 -1.0183300000e-02  4.1804000000e-03  1.4384000000e-03 -9.0330000000e-03  2.7350000000e-04 -1.5486000000e-03  2.0881500000e-02  8.2118000000e-03  8.3330000000e-04 -1.4446900000e-02 -5.0904000000e-03 -4.4900000000e-03 -1.8073000000e-03 -6.7361000000e-03  2.9764000000e-03 -1.4157000000e-03 -3.5614000000e-03  3.2105000000e-03 -4.7827000000e-03  9.9336000000e-03 -1.4785300000e-02 -5.2120000000e-04 -2.0401000000e-03  9.3900000000e-05 -3.9697000000e-03  4.7260000000e-04  4.4650000000e-03  6.7370000000e-03  1.0613000000e-03 -4.2310000000e-04  4.1337000000e-03  1.1403400000e-02  2.0700000000e-04  2.8113000000e-03 -8.8992000000e-03  9.1276000000e-03 -5.4510000000e-03 -9.8852000000e-03  2.2837000000e-03 -3.7626000000e-03  1.2001000000e-03  1.2608400000e-02  1.1849300000e-02  1.4814000000e-02 -8.5980000000e-04 -1.1290600000e-02 -9.0070000000e-04 -8.0785000000e-03  1.0206600000e-02 -1.2737000000e-02 -6.9420000000e-04  3.3323000000e-03  4.2178000000e-03 -1.7510000000e-04 -1.1899100000e-02  8.8690000000e-04  5.0327000000e-03  7.7244000000e-03 -9.4347000000e-03 -6.0387000000e-03 -9.1493000000e-03 -4.2620000000e-04  9.5952000000e-03  6.0053000000e-03  1.0479100000e-02  1.9152000000e-03

JOB 290
COORDS   4.4393000000e-01 -3.1601800000e+00  3.7949000000e-01  2.3853000000e-01 -2.9827000000e+00  1.2973900000e+00  1.7861000000e-01 -4.0701100000e+00  2.4580000000e-01 -2.4606000000e+00  1.6928600000e+00 -2.4432900000e+00 -2.5612400000e+00  1.0872800000e+00 -3.1777100000e+00 -1.5479200000e+00  1.9775100000e+00 -2.4903000000e+00 -2.6385500000e+00 -1.4268000000e-01  1.5481900000e+00 -2.1513000000e+00 -4.2629000000e-01  7.7463000000e-01 -3.0702800000e+00  6.6720000000e-01  1.2762800000e+00 -1.0221700000e+00 -1.1343600000e+00 -1.0742500000e+00 -1.5426300000e+00 -1.7683600000e+00 -1.5676000000e+00 -6.1038000000e-01 -1.6497700000e+00 -3.8070000000e-01  1.3783400000e+00 -1.7684000000e-01  1.8180500000e+00  6.4524000000e-01  4.3773000000e-01  1.7849400000e+00  1.5608500000e+00 -3.8232000000e-01  9.0116000000e-01 -7.7872000000e-01 -2.1792500000e+00  2.4436900000e+00 -1.5015500000e+00 -1.5658200000e+00  2.3116000000e+00 -4.9370000000e-02 -1.6317200000e+00  2.7343700000e+00  1.1400200000e+00  6.0008000000e-01 -2.9334100000e+00  1.7702300000e+00  4.3930000000e-01 -3.6357000000e+00  1.3656300000e+00 -3.9080000000e-02 -2.2575300000e+00  4.0580900000e+00 -1.3870400000e+00  2.2798500000e+00  4.5252900000e+00 -1.2863000000e+00  3.1091900000e+00  3.2416600000e+00 -9.0304000000e-01  2.4040100000e+00  6.4397000000e-01  3.1686200000e+00 -1.9015200000e+00  4.9692000000e-01  2.7542800000e+00 -1.0512700000e+00  9.2997000000e-01  2.4539800000e+00 -2.4704900000e+00  2.1938000000e+00 -1.0785600000e+00 -4.7776000000e-01  1.7243100000e+00 -1.9058600000e+00 -3.7103000000e-01  3.0966800000e+00 -1.2817400000e+00 -2.3331000000e-01 -2.9280600000e+00  2.2427600000e+00  1.2782000000e-01 -3.1187400000e+00  3.1777400000e+00  2.0328000000e-01 -3.0788900000e+00  2.0408400000e+00 -7.9561000000e-01 -6.6700000000e-03  1.6826900000e+00  3.1664000000e-01  3.2840000000e-02  8.8885000000e-01 -2.1673000000e-01 -9.3215000000e-01  1.9270300000e+00  3.1511000000e-01
ENERGY -9.171784323379e+02
EMD0 -3.318152970000e+02
FORCES  -8.4709000000e-03  6.3789000000e-03  1.7241200000e-02  1.0556400000e-02 -8.7311000000e-03 -1.1595100000e-02 -2.0584000000e-03  1.5259000000e-03  5.6696000000e-03  1.2033000000e-03  1.9275000000e-03  5.4385000000e-03  4.5916000000e-03  2.2205000000e-03 -1.1543000000e-03 -9.0321000000e-03 -7.2400000000e-03 -3.6377000000e-03 -5.7336000000e-03  1.2330200000e-02 -3.2574000000e-03 -5.3500000000e-05 -7.9440000000e-04  1.0640800000e-02  1.8358000000e-03 -9.8464000000e-03 -9.4740000000e-04  4.0355000000e-03 -7.8235000000e-03 -5.4404000000e-03  1.7227000000e-03 -2.4552000000e-03  3.6500000000e-03 -8.6188000000e-03  1.1512600000e-02 -4.3143000000e-03  7.5051000000e-03  7.7547000000e-03 -2.1891400000e-02 -8.8080000000e-04 -1.3121600000e-02 -3.9828000000e-03 -9.4971000000e-03  1.7442000000e-03  9.6412000000e-03 -5.1051000000e-03  2.5657000000e-03 -6.1663000000e-03  1.2024600000e-02 -3.0660000000e-03 -1.8661000000e-03 -7.4086000000e-03 -6.4047000000e-03 -3.5365000000e-03 -1.3219000000e-03  8.3660000000e-04  7.0566000000e-03 -3.0840000000e-04 -2.5367000000e-03  3.6932000000e-03  5.4400000000e-04  4.1775000000e-03 -1.1258800000e-02 -1.5389000000e-03  9.6250000000e-04 -9.0010000000e-04 -5.0923000000e-03  2.4059000000e-03  6.3660000000e-04  1.1694900000e-02 -5.6207000000e-03  2.9303000000e-03  7.8267000000e-03 -8.1839000000e-03  1.0157900000e-02 -3.3940000000e-03 -7.8010000000e-04 -1.1540000000e-02 -4.1268000000e-03  5.3119000000e-03  2.8087000000e-03 -1.3513000000e-03 -8.9340000000e-04  1.1678900000e-02  8.8539000000e-03  1.3855900000e-02  1.5150000000e-04 -7.4696000000e-03 -4.4864000000e-03 -1.6501000000e-03 -1.5797000000e-03 -6.4608000000e-03 -1.0389800000e-02  3.7900000000e-04 -2.2267000000e-03 -6.1626000000e-03 -2.6971000000e-03  9.3646000000e-03  1.5741600000e-02 -2.9152000000e-03  4.9198000000e-03 -3.7240000000e-04  8.2190000000e-04  5.1186000000e-03  6.6799000000e-03  1.5058900000e-02 -4.2418000000e-03 -3.7530000000e-03

JOB 291
COORDS   2.5559000000e-01 -6.6033000000e-01  1.7229300000e+00 -3.2802000000e-01 -1.3815800000e+00  1.9583900000e+00  1.1310100000e+00 -9.7793000000e-01  1.9442900000e+00 -2.1856500000e+00  1.1671800000e+00 -1.5606400000e+00 -1.6899500000e+00  4.5371000000e-01 -1.1587800000e+00 -1.5242700000e+00  1.8209300000e+00 -1.7873900000e+00 -3.6824200000e+00 -1.9200700000e+00  5.3691000000e-01 -3.7122500000e+00 -1.0700500000e+00  9.7601000000e-01 -4.5907300000e+00 -2.0950400000e+00  2.9077000000e-01 -6.7044000000e-01 -1.1558800000e+00 -6.9724000000e-01 -1.3652200000e+00 -1.6557400000e+00 -2.6869000000e-01 -1.3665000000e-01 -8.2066000000e-01  2.3130000000e-02  3.0094800000e+00  7.6175000000e-01  3.3625000000e-01  2.8048500000e+00  7.6268000000e-01 -5.9882000000e-01  2.3610700000e+00  1.3492300000e+00  7.2440000000e-01 -1.4177700000e+00 -2.9434600000e+00  2.0729300000e+00 -2.2802700000e+00 -2.7979300000e+00  1.6841500000e+00 -1.6015500000e+00 -3.3541300000e+00  2.9178000000e+00  2.1828500000e+00  7.8895000000e-01 -2.4005500000e+00  1.8462500000e+00 -9.0170000000e-02 -2.2271100000e+00  2.8875700000e+00  6.5537000000e-01 -3.0343900000e+00  2.8376000000e+00 -1.7728100000e+00  1.8255900000e+00  3.1087500000e+00 -1.1549200000e+00  2.5045000000e+00  2.9020300000e+00 -1.2764000000e+00  1.0097100000e+00  3.3680000000e-01  2.9765200000e+00 -1.6705400000e+00  3.0187000000e-01  2.7281600000e+00 -7.4679000000e-01  8.9276000000e-01  2.3117000000e+00 -2.0769400000e+00  1.7902500000e+00 -1.7376800000e+00 -1.8054100000e+00  8.5061000000e-01 -1.7054000000e+00 -1.6257400000e+00  2.0226700000e+00 -2.6605300000e+00 -1.7026800000e+00 -2.5293600000e+00  2.7894600000e+00  6.7856000000e-01 -2.8599100000e+00  3.6546100000e+00  4.3669000000e-01 -2.5093700000e+00  2.3014400000e+00 -1.4465000000e-01  1.9594000000e-01  1.8175900000e+00  8.6641000000e-01  1.9533000000e-01  1.0012800000e+00  1.3662700000e+00 -6.4323000000e-01  2.2277600000e+00  1.0756600000e+00
ENERGY -9.171890354008e+02
EMD0 -3.632222170000e+02
FORCES   2.9358000000e-03 -3.7909000000e-03 -3.9263000000e-03  1.0782800000e-02  1.0465000000e-02 -7.5303000000e-03 -1.4528500000e-02  7.5688000000e-03  1.7322000000e-03  8.0503000000e-03 -8.6578000000e-03 -7.0351000000e-03 -5.4399000000e-03  1.2723300000e-02  1.0491000000e-03 -1.0394100000e-02 -7.3295000000e-03  1.0842800000e-02 -3.4252000000e-03 -1.4411000000e-03 -8.0220000000e-03 -2.0354000000e-03 -6.7223000000e-03  3.6040000000e-04  2.0210000000e-04  5.6508000000e-03  4.7387000000e-03  7.4869000000e-03 -2.0830000000e-04  1.3917200000e-02  4.8567000000e-03  6.4875000000e-03  5.0578000000e-03 -8.9317000000e-03 -6.5756000000e-03 -1.2501500000e-02 -4.5090000000e-04  8.0962000000e-03 -1.1182200000e-02 -7.1970000000e-04 -2.6130000000e-03  1.2812900000e-02  3.1668000000e-03 -5.9888000000e-03 -2.4684000000e-03 -6.2200000000e-04 -4.5710000000e-03 -4.8505000000e-03  9.4867000000e-03 -5.7580000000e-04  1.0992800000e-02 -6.2999000000e-03  1.9639000000e-03 -3.1349000000e-03 -1.9037000000e-03 -1.2229600000e-02 -1.0926000000e-03 -7.9220000000e-04  9.6035000000e-03  2.1078000000e-03 -1.1904000000e-03 -3.9703000000e-03  1.3171000000e-03  1.1218300000e-02  2.2970000000e-04 -7.7836000000e-03 -8.5920000000e-03  1.3570000000e-04 -1.8580000000e-03 -6.2530000000e-03 -8.2133000000e-03  1.0248900000e-02  1.2635400000e-02 -4.5410000000e-04  5.7221000000e-03 -5.1015000000e-03  1.8626000000e-03 -8.4845000000e-03 -8.4350000000e-03  3.5207000000e-03  5.8772000000e-03 -1.4189000000e-03  9.9543000000e-03 -2.6890000000e-04  1.7306400000e-02 -5.1680000000e-04 -4.9092000000e-03 -7.7688000000e-03 -4.9410000000e-04  1.6326000000e-03 -2.1033000000e-03 -7.6228000000e-03 -8.8217000000e-03 -7.3170000000e-04 -3.8989000000e-03 -5.2543000000e-03  3.5833000000e-03  1.5981700000e-02  1.2359300000e-02 -3.6496000000e-03 -8.4523000000e-03  1.6368000000e-03 -1.2389000000e-03  1.1619200000e-02 -1.7821000000e-03  1.0314900000e-02 -1.1536600000e-02 -1.4995000000e-03

JOB 292
COORDS   2.1933700000e+00 -1.6315000000e-01  2.6792200000e+00  2.5954000000e+00 -3.6927000000e-01  3.5230900000e+00  2.9332100000e+00  4.5000000000e-03  2.0954800000e+00 -2.6806000000e+00 -1.0124100000e+00 -2.3108300000e+00 -2.0697600000e+00 -1.7296600000e+00 -2.1415300000e+00 -2.1402900000e+00 -2.2316000000e-01 -2.2733700000e+00 -5.2874900000e+00 -8.1175000000e-01 -1.2176700000e+00 -4.3858900000e+00 -1.1095700000e+00 -1.3387000000e+00 -5.2336900000e+00  1.4265000000e-01 -1.2674000000e+00 -4.1901000000e-01 -2.1187600000e+00  2.9814000000e-01 -1.2120500000e+00 -1.5999700000e+00  4.3298000000e-01  2.7051000000e-01 -1.6220400000e+00  7.3868000000e-01  3.8216800000e+00  2.2658100000e+00 -1.3135000000e-01  3.5053800000e+00  1.7953600000e+00 -9.0262000000e-01  4.6798600000e+00  2.6015500000e+00 -3.9024000000e-01 -4.4340300000e+00 -4.6769000000e-01  1.3355500000e+00 -4.7902700000e+00 -1.1092200000e+00  1.9501700000e+00 -5.0608500000e+00 -4.5451000000e-01  6.1225000000e-01  3.7745600000e+00  1.0664000000e-01 -2.1969300000e+00  2.9425200000e+00 -3.5342000000e-01 -2.0860300000e+00  4.1742900000e+00 -3.0205000000e-01 -2.9646600000e+00  4.6352400000e+00  4.0096000000e-01  1.6545100000e+00  5.5780600000e+00  3.8884000000e-01  1.8193800000e+00  4.5099900000e+00  1.1154200000e+00  1.0299400000e+00 -7.7864000000e-01  1.1544600000e+00 -1.6280900000e+00 -2.9566000000e-01  1.3678600000e+00 -8.2970000000e-01 -5.6816000000e-01  1.8656100000e+00 -2.2332300000e+00  9.4999000000e-01 -9.6341000000e-01 -1.9670200000e+00  8.5505000000e-01 -1.6195200000e+00 -1.2765600000e+00  3.9358000000e-01 -2.3701000000e-01 -1.6859600000e+00 -2.3052600000e+00  5.9438000000e-01  2.4176800000e+00 -3.2482300000e+00  5.6911000000e-01  2.2552300000e+00 -2.1687300000e+00 -2.3970000000e-02  3.1354700000e+00  4.1040000000e-01  9.6212000000e-01  9.8594000000e-01  9.7580000000e-01  4.8039000000e-01  1.5896800000e+00 -3.2516000000e-01  1.2519400000e+00  1.5255600000e+00
ENERGY -9.171563475657e+02
EMD0 -2.874815240000e+02
FORCES   8.2170000000e-03  6.3599000000e-03 -1.5996000000e-03  3.9402000000e-03 -8.1660000000e-04 -1.1381000000e-03 -1.4585200000e-02 -8.4360000000e-04  1.5993000000e-03  2.5776000000e-03  5.5496000000e-03 -3.5670000000e-03 -1.9629000000e-03  4.0933000000e-03  1.4637000000e-03 -3.6558000000e-03 -9.0181000000e-03 -3.6025000000e-03  1.1618500000e-02 -6.4895000000e-03 -1.2175200000e-02 -1.1948800000e-02  3.6497000000e-03  1.0316100000e-02  1.5442000000e-03 -3.2473000000e-03  9.4992000000e-03 -2.9449000000e-03  1.2726000000e-03  2.0660000000e-03  5.0244000000e-03 -3.2277000000e-03  7.3500000000e-05 -1.4215000000e-03 -1.9458000000e-03 -7.0701000000e-03 -7.2158000000e-03 -4.1403000000e-03 -3.3056000000e-03  2.3238000000e-03  9.4651000000e-03  6.1875000000e-03 -8.6090000000e-04 -6.2915000000e-03  3.3419000000e-03  4.1242000000e-03  1.2996000000e-03 -1.6949600000e-02 -4.9520000000e-04  3.0576000000e-03 -2.2215000000e-03  2.5020000000e-03  3.7837000000e-03  1.4276700000e-02 -4.4994000000e-03 -3.4045000000e-03  4.2640000000e-04  1.6920700000e-02  3.9487000000e-03 -3.4645000000e-03 -4.0074000000e-03 -3.1727000000e-03  1.0391000000e-03 -1.1962100000e-02  4.2347000000e-03 -5.9406000000e-03 -7.8700000000e-05  7.8844000000e-03 -5.7147000000e-03  1.4849300000e-02 -9.5035000000e-03  1.1030900000e-02 -3.1920000000e-04 -5.0851000000e-03  8.1991000000e-03 -1.4821000000e-03  2.4866000000e-03 -2.0793800000e-02  2.3905000000e-03  2.9970000000e-04  5.9429000000e-03 -1.7971500000e-02  4.5841000000e-03  2.0358000000e-03  4.9629000000e-03  6.8254000000e-03  6.0730000000e-04  7.0127000000e-03 -6.3887000000e-03  5.2381000000e-03 -1.4764300000e-02 -4.1640000000e-03 -1.1019100000e-02  6.0986000000e-03  6.7550000000e-04  1.4023300000e-02 -4.5354000000e-03  2.4550000000e-04 -1.7089000000e-03  1.0427100000e-02 -3.1639000000e-03  1.2927800000e-02 -9.7130000000e-03  8.7080000000e-04 -8.4082000000e-03  9.8900000000e-03  3.1650000000e-04 -1.6153000000e-03

JOB 293
COORDS   1.4217300000e+00  1.0757900000e+00  8.8394000000e-01  1.9193600000e+00  1.8206400000e+00  1.2212800000e+00  2.0714000000e+00  3.8062000000e-01  7.7956000000e-01 -2.1358100000e+00 -1.0274900000e+00 -2.0241800000e+00 -1.5297600000e+00 -2.8980000000e-01 -1.9552000000e+00 -1.5746800000e+00 -1.8024700000e+00 -1.9964600000e+00 -4.5340100000e+00 -7.4059000000e-01 -9.8291000000e-01 -3.7421300000e+00 -1.1582400000e+00 -1.3216300000e+00 -5.0895700000e+00 -6.1946000000e-01 -1.7529200000e+00  1.0348800000e+00 -2.1544400000e+00 -5.6186000000e-01  5.6209000000e-01 -1.8628100000e+00  2.1766000000e-01  1.2841200000e+00 -3.0579300000e+00 -3.6737000000e-01  3.0523900000e+00 -1.0756300000e+00  6.5589000000e-01  3.8012200000e+00 -9.5979000000e-01  7.1030000000e-02  2.3774100000e+00 -1.4730700000e+00  1.0573000000e-01 -4.4016300000e+00  7.9144000000e-01  1.3369500000e+00 -4.6679100000e+00  1.7106300000e+00  1.3168200000e+00 -4.6522800000e+00  4.5012000000e-01  4.7852000000e-01  3.7094000000e+00  2.4744000000e-01 -2.1059900000e+00  2.7876400000e+00  3.8893000000e-01 -1.8901800000e+00  3.8060000000e+00  6.0159000000e-01 -2.9900000000e+00  3.1072500000e+00  3.0898800000e+00  1.1671900000e+00  3.6410000000e+00  3.4338800000e+00  4.5095000000e-01  3.4911500000e+00  3.4708100000e+00  1.9569600000e+00 -7.8433000000e-01  1.3572400000e+00 -7.5983000000e-01 -1.4925600000e+00  1.1834800000e+00 -1.3979000000e-01  1.2980000000e-02  1.3127600000e+00 -2.3205000000e-01  1.0708300000e+00 -2.7887000000e-01 -2.7364100000e+00  7.3539000000e-01 -8.9156000000e-01 -2.0819400000e+00  6.4874000000e-01  5.5365000000e-01 -2.5243600000e+00 -1.9299200000e+00  1.1555000000e-01  3.1679400000e+00 -1.9332500000e+00 -6.4353000000e-01  2.5848400000e+00 -2.5752500000e+00  7.1224000000e-01  2.7888000000e+00  3.3980000000e-01 -1.4758200000e+00  1.9962600000e+00  6.6003000000e-01 -6.0069000000e-01  1.7775500000e+00  2.5676000000e-01 -1.4696200000e+00  2.9498300000e+00
ENERGY -9.171548413806e+02
EMD0 -2.861242290000e+02
FORCES   2.0221500000e-02  5.2998000000e-03  7.0200000000e-04 -1.6476000000e-03 -1.0642900000e-02  1.2801000000e-03 -1.6622000000e-02  1.1051900000e-02  2.5867000000e-03 -6.9002000000e-03  1.2189200000e-02  2.4467000000e-03  1.0626000000e-03 -1.3920400000e-02 -3.8839000000e-03  2.1070000000e-04  4.8180000000e-03  2.0529000000e-03  1.9560700000e-02 -3.0947000000e-03 -1.1854000000e-03 -1.5256300000e-02 -4.3711000000e-03 -8.4270000000e-04  3.3714000000e-03 -1.0042000000e-03 -4.9900000000e-04  5.1493000000e-03  2.8611000000e-03  9.9578000000e-03  1.2844300000e-02  3.4513000000e-03 -1.2103600000e-02  1.1375000000e-03  4.9054000000e-03  4.1046000000e-03 -1.2845300000e-02 -1.0844200000e-02 -5.1798000000e-03 -6.1547000000e-03 -4.4084000000e-03  1.1028000000e-03  3.5463000000e-03  9.5773000000e-03  8.0235000000e-03 -4.0244000000e-03 -1.3103600000e-02 -7.2379000000e-03  9.4480000000e-04 -3.1399000000e-03 -4.9090000000e-03 -3.7858000000e-03  1.7324600000e-02  1.0500900000e-02 -1.1231600000e-02 -6.6412000000e-03 -7.0540000000e-03  6.5818000000e-03  7.3068000000e-03  2.6973000000e-03 -1.3559000000e-03  3.4846000000e-03  2.3209000000e-03 -8.4421000000e-03 -9.3707000000e-03 -5.5895000000e-03  2.7003000000e-03  3.9450000000e-03  7.1028000000e-03  2.1388000000e-03  9.1700000000e-04 -5.3705000000e-03  9.3692000000e-03  7.4634000000e-03  1.0804100000e-02  6.0754000000e-03 -1.1633000000e-03 -2.6970000000e-04 -1.7011500000e-02 -1.5356000000e-03 -9.7763000000e-03  2.7751000000e-03 -8.7305000000e-03 -1.3223000000e-03 -5.8156000000e-03  1.0356700000e-02 -4.1948000000e-03  7.2922000000e-03 -5.6422000000e-03  2.8700000000e-03 -4.7602000000e-03 -4.3220000000e-04 -3.3650000000e-04  3.3120000000e-04  2.8106000000e-03  1.6708000000e-03  7.0647000000e-03 -7.0050000000e-04  1.2777000000e-03  3.1824000000e-03  2.1202000000e-03  3.1095000000e-03 -1.2889000000e-03 -1.5371000000e-02 -3.0547000000e-03  1.5819000000e-03  4.2340000000e-03 -1.8013000000e-03

JOB 294
COORDS   2.3113000000e+00 -4.3080000000e-02  2.5493300000e+00  1.8139700000e+00  7.3486000000e-01  2.8017200000e+00  2.7142400000e+00  1.9053000000e-01  1.7130900000e+00 -4.8853000000e-01 -2.9888300000e+00 -1.4433700000e+00 -4.5084000000e-01 -2.0686200000e+00 -1.1825700000e+00 -1.1620800000e+00 -3.3704300000e+00 -8.8040000000e-01 -3.8566700000e+00  4.1726000000e-01 -2.2304200000e+00 -3.9582500000e+00  6.7782000000e-01 -3.1458600000e+00 -2.9152200000e+00  2.8218000000e-01 -2.1224000000e+00  1.8902000000e+00 -2.3764600000e+00  7.0850000000e-02  1.5708600000e+00 -1.9738900000e+00  8.7843000000e-01  1.2036500000e+00 -2.9960100000e+00 -1.7623000000e-01  2.9593400000e+00  6.9220000000e-02 -2.0892000000e-01  3.6047700000e+00 -1.7900000000e-03 -9.1220000000e-01  2.4015900000e+00 -7.0124000000e-01 -3.1635000000e-01 -3.1118400000e+00  2.7073700000e+00 -4.1652000000e-01 -2.2981300000e+00  2.4999800000e+00 -8.7598000000e-01 -3.7759600000e+00  2.7352200000e+00 -1.1052900000e+00  1.2529500000e+00 -8.5105000000e-01 -3.0184900000e+00  1.4500400000e+00 -1.7328500000e+00 -2.7025600000e+00  1.1058800000e+00 -9.6003000000e-01 -3.9580300000e+00  5.7468000000e-01  2.1576000000e+00  2.4283000000e+00  3.1182000000e-01  2.9263900000e+00  2.9343800000e+00 -2.3775000000e-01  1.6697000000e+00  2.2935900000e+00  8.1043000000e-01  1.8923500000e+00 -5.3139000000e-01  7.3339000000e-01  2.3197300000e+00  3.2163000000e-01  1.6215500000e+00  1.3873100000e+00 -4.7440000000e-01 -9.0164000000e-01  2.8090000000e-02 -1.7055900000e+00 -2.9711000000e-01 -1.6617000000e-01 -2.4218600000e+00 -4.7359000000e-01  7.2881000000e-01 -1.2136500000e+00 -1.8995000000e+00  1.0782500000e+00  2.0544800000e+00 -2.4755300000e+00  3.1623000000e-01  1.9932600000e+00 -2.1975100000e+00  1.6610800000e+00  1.3561000000e+00  4.4989000000e-01 -2.0836800000e+00  2.5459400000e+00  1.1340100000e+00 -1.4302700000e+00  2.6917500000e+00  7.3869000000e-01 -2.8486600000e+00  3.0435600000e+00
ENERGY -9.171770941429e+02
EMD0 -3.242933800000e+02
FORCES   1.4565000000e-03  7.7300000000e-03 -4.7003000000e-03  6.3702000000e-03 -9.3005000000e-03 -3.2339000000e-03 -7.9357000000e-03  2.0311000000e-03  8.7412000000e-03 -5.2255000000e-03  5.9335000000e-03 -6.5366000000e-03  4.6552000000e-03 -1.4771600000e-02  3.7686000000e-03  3.5312000000e-03  4.0618000000e-03  2.2817000000e-03  4.6475000000e-03 -7.2303000000e-03  5.4967000000e-03  4.4180000000e-03  1.5959000000e-03  2.8783000000e-03 -1.3865400000e-02  6.3526000000e-03 -8.0096000000e-03 -5.7726000000e-03 -5.3772000000e-03  5.7170000000e-03  5.1509000000e-03  5.4416000000e-03 -1.1862800000e-02  4.0492000000e-03  3.5498000000e-03  7.9529000000e-03 -2.0042000000e-03 -1.4560300000e-02  2.3557000000e-03 -3.5508000000e-03 -3.4122000000e-03 -1.1361000000e-03  5.0597000000e-03  1.6072000000e-02  2.4819000000e-03 -8.3626000000e-03 -3.6035000000e-03 -4.4791000000e-03 -3.4485000000e-03  4.7970000000e-04  2.7087000000e-03  6.0229000000e-03  6.4300000000e-03 -2.4897000000e-03 -2.8449000000e-03  1.8545000000e-03  8.0921000000e-03  5.2460000000e-04  4.0941000000e-03 -7.7433000000e-03 -1.9308000000e-03 -2.5040000000e-03  4.8474000000e-03 -8.3314000000e-03 -9.6046000000e-03  2.3063000000e-03 -4.3600000000e-03 -2.4455000000e-03 -2.5438000000e-03  1.3554200000e-02  1.5504400000e-02 -4.9190000000e-04  1.1413900000e-02 -4.5698000000e-03  3.5720000000e-03  1.1274000000e-03 -2.8797000000e-03 -8.2289000000e-03 -1.1599700000e-02  8.3023000000e-03  2.2347000000e-03  2.2287600000e-02  4.8848000000e-03 -3.4910000000e-04 -7.7038000000e-03  3.9617000000e-03  2.9239000000e-03 -9.7182000000e-03 -9.3203000000e-03 -9.7799000000e-03  9.8400000000e-05 -3.2126000000e-03  3.1557000000e-03 -4.0988000000e-03  4.8618000000e-03 -3.7050000000e-03  8.3782000000e-03 -6.6410000000e-03  5.2912000000e-03  3.5206000000e-03  1.1595300000e-02  3.2215000000e-03 -9.0087000000e-03 -1.9425600000e-02 -3.8911000000e-03  3.4954000000e-03  4.1220000000e-03 -8.4620000000e-04

JOB 295
COORDS   7.6475000000e-01 -4.8787000000e-01  2.9111200000e+00  5.6720000000e-02 -7.2204000000e-01  3.5112000000e+00  4.7283000000e-01  3.2664000000e-01  2.5017400000e+00  3.4459000000e+00 -3.2506000000e+00  1.1475800000e+00  3.7274500000e+00 -3.1237400000e+00  2.0536000000e+00  2.4897100000e+00 -3.2366000000e+00  1.1892200000e+00 -2.9002600000e+00  2.0079800000e+00 -2.4630500000e+00 -3.1393700000e+00  2.6713200000e+00 -3.1103900000e+00 -1.9432100000e+00  2.0190000000e+00 -2.4504100000e+00  1.5753800000e+00 -2.8761800000e+00 -1.8732400000e+00  2.3533400000e+00 -3.3120000000e+00 -1.5252900000e+00  1.3608600000e+00 -2.2103700000e+00 -1.2198500000e+00  3.0577200000e+00 -7.2153000000e-01  3.3673000000e-01  3.3433900000e+00 -1.6144500000e+00  5.2989000000e-01  3.8693800000e+00 -2.3757000000e-01  1.8430000000e-01 -3.4457900000e+00  1.6940300000e+00  3.0916000000e-01 -3.1427400000e+00  1.7006700000e+00 -5.9878000000e-01 -4.2452300000e+00  1.1678900000e+00  2.9148000000e-01 -7.2511000000e-01 -1.6304200000e+00 -3.0458100000e+00  2.1940000000e-02 -2.1746200000e+00 -2.7968400000e+00 -1.3051900000e+00 -2.2232100000e+00 -3.5236500000e+00 -1.0119100000e+00  1.5519900000e+00  1.7348200000e+00 -1.0224800000e+00  2.4890800000e+00  1.9296900000e+00 -1.9074700000e+00  1.3536500000e+00  1.4612100000e+00  1.0789500000e+00  1.6484100000e+00 -1.7770000000e-01  3.1789000000e-01  1.5449500000e+00  3.9354000000e-01  1.5813400000e+00  8.4272000000e-01 -5.6430000000e-02 -3.8424000000e-01  1.3564400000e+00 -2.5078900000e+00 -6.5176000000e-01  4.3744000000e-01 -2.5175400000e+00  2.4179000000e-01  1.4165900000e+00 -1.7862900000e+00 -2.1987200000e+00  3.9372100000e+00  1.7715500000e+00 -1.5024800000e+00  4.4009300000e+00  1.3063100000e+00 -2.7781100000e+00  3.6177600000e+00  1.0798100000e+00  7.5016000000e-01 -3.1666100000e+00  1.7637200000e+00  8.6738000000e-01 -2.3242600000e+00  2.2029800000e+00  8.3937000000e-01 -3.8156500000e+00  2.4615900000e+00
ENERGY -9.171699423128e+02
EMD0 -3.154378780000e+02
FORCES  -1.8958000000e-03  1.4438400000e-02 -6.2340000000e-03  2.4389000000e-03 -3.4744000000e-03 -3.4428000000e-03  4.5996000000e-03 -6.2846000000e-03  8.2796000000e-03 -1.1555900000e-02 -2.8154000000e-03  8.1950000000e-04 -5.7682000000e-03  1.5978000000e-03 -1.3319000000e-03  1.9958000000e-02  7.5221000000e-03  4.8630000000e-04  1.8201300000e-02 -7.5279000000e-03 -3.3994000000e-03  7.3163000000e-03  1.8040000000e-04 -1.0624000000e-03 -2.3732400000e-02  8.1527000000e-03  1.2858000000e-03  2.2848000000e-03 -2.2118000000e-03 -3.0622000000e-03 -2.3317000000e-03  3.9791000000e-03  3.6580000000e-03 -4.7470000000e-04 -4.6344000000e-03 -4.6233000000e-03  2.1380000000e-03 -1.7007700000e-02  7.2694000000e-03 -1.8506000000e-03  1.3705700000e-02 -3.9805000000e-03  8.1330000000e-04 -5.3888000000e-03  1.8784000000e-03  7.5820000000e-04  2.8348000000e-03 -1.1192400000e-02 -2.3996000000e-03 -5.2674000000e-03  1.8091900000e-02  2.4045000000e-03 -1.2184000000e-03 -3.6996000000e-03  4.4609000000e-03 -9.0730000000e-04 -1.1571000000e-03 -1.0124800000e-02  3.1384000000e-03 -1.0530000000e-04  4.3872000000e-03 -4.0003000000e-03  1.3677000000e-03 -2.2193000000e-02  1.2655100000e-02 -1.0726000000e-03  8.1800000000e-03 -4.5610000000e-03 -7.2840000000e-03  9.7635000000e-03  2.1604000000e-03  6.2634000000e-03 -2.9357000000e-03  2.7055000000e-03  8.6005000000e-03  1.1968000000e-02 -2.1957000000e-03 -9.9682000000e-03 -1.0764500000e-02  6.6415000000e-03 -1.5482000000e-03  5.9037000000e-03  1.2385000000e-03  3.5879000000e-03  1.7456000000e-03  1.2196400000e-02  1.0711800000e-02 -1.1378900000e-02 -1.0955300000e-02 -1.1456500000e-02 -8.9934000000e-03 -6.7512000000e-03  2.4935000000e-03 -8.4760000000e-04 -9.7444000000e-03 -6.2960000000e-04  1.0649600000e-02  8.6060000000e-03  5.8440000000e-04 -1.0602600000e-02  8.1848000000e-03 -1.6341000000e-03  4.3417000000e-03 -2.2146800000e-02  1.0325000000e-03  5.5363000000e-03  7.1550000000e-03  4.7340000000e-04

JOB 296
COORDS  -1.3497300000e+00 -9.0290000000e-01  7.3023000000e-01 -2.2376700000e+00 -5.8888000000e-01  5.5935000000e-01 -7.8419000000e-01 -1.7380000000e-01  4.7565000000e-01  3.2437100000e+00 -1.6762500000e+00  3.0664800000e+00  3.1244200000e+00 -1.9658100000e+00  2.1619700000e+00  3.2239900000e+00 -2.4829700000e+00  3.5813100000e+00 -2.5904200000e+00  1.6665800000e+00 -6.3700000000e-01 -1.7688300000e+00  1.5611800000e+00 -1.5729000000e-01 -2.4579700000e+00  1.1788200000e+00 -1.4498800000e+00  1.5943200000e+00 -3.5135300000e+00 -2.4323800000e+00  7.1702000000e-01 -3.1397400000e+00 -2.3496100000e+00  2.1355700000e+00 -2.7885600000e+00 -2.7449200000e+00  2.4922300000e+00  8.9434000000e-01  1.9517500000e+00  2.5239300000e+00  1.4045100000e+00  2.7610400000e+00  2.8389000000e+00  3.6040000000e-02  2.1953800000e+00 -3.5171600000e+00  3.8606100000e+00  8.9460000000e-01 -3.3741300000e+00  3.3390600000e+00  1.0481000000e-01 -4.0101200000e+00  4.6234500000e+00  5.9243000000e-01 -1.0218400000e+00 -2.7078500000e+00 -1.4610800000e+00 -1.1057400000e+00 -2.1672300000e+00 -6.7564000000e-01 -1.5179600000e+00 -3.5014400000e+00 -1.2603100000e+00  2.9893000000e-01  1.2455600000e+00  4.2023000000e-01  1.0424800000e+00  1.0107900000e+00  9.7543000000e-01  1.6244000000e-01  2.1787400000e+00  5.8387000000e-01  1.6129500000e+00 -2.0887000000e-01 -2.0272000000e+00  8.2382000000e-01  3.1914000000e-01 -1.9059500000e+00  1.8394800000e+00 -5.0760000000e-01 -1.1464700000e+00 -1.5922600000e+00 -2.1056000000e-01 -2.7383200000e+00 -1.3901400000e+00 -1.0810200000e+00 -2.3953000000e+00 -1.8495400000e+00 -3.6461000000e-01 -3.6473400000e+00 -8.9289000000e-01  3.5847900000e+00  1.9520500000e+00 -1.1286000000e+00  2.9669000000e+00  2.6440700000e+00 -1.7318800000e+00  3.8892000000e+00  1.6061400000e+00  1.8617300000e+00 -1.9834000000e+00  2.3657000000e-01  9.6773000000e-01 -1.6595500000e+00  3.4663000000e-01  1.7553500000e+00 -2.8647600000e+00 -1.2137000000e-01
ENERGY -9.171764311304e+02
EMD0 -3.246540020000e+02
FORCES   4.3085000000e-03  1.8316400000e-02  9.3262000000e-03  6.1775000000e-03 -3.4300000000e-05 -2.2999000000e-03 -1.0826900000e-02 -1.6765400000e-02 -4.6191000000e-03 -1.1104000000e-03  1.4973000000e-03  2.0383000000e-03  3.5099000000e-03  2.4629000000e-03  1.1055900000e-02 -7.1200000000e-05 -2.3715000000e-03 -6.0574000000e-03  2.3191000000e-03 -1.1862000000e-03 -6.6759000000e-03 -4.7018000000e-03 -4.6644000000e-03 -2.6870000000e-03 -7.0600000000e-04  4.9912000000e-03  1.1738400000e-02 -4.1668000000e-03  1.9470000000e-03 -3.2600000000e-03  8.3349000000e-03 -2.3031000000e-03 -2.6248000000e-03 -3.1815000000e-03 -2.8752000000e-03  8.9910000000e-04  2.1572000000e-03 -3.7335000000e-03 -1.1421000000e-03  5.2970000000e-04 -3.2694000000e-03 -2.0330000000e-04 -1.7911000000e-03  6.2738000000e-03 -2.7896000000e-03 -1.1385000000e-03 -8.4053000000e-03 -1.4960000000e-04 -3.0383000000e-03  1.5852100000e-02  6.0385000000e-03  1.1247000000e-03 -4.2285000000e-03 -5.2938000000e-03  8.6600000000e-04  4.8455000000e-03  6.3638000000e-03 -3.1330000000e-04 -1.1277300000e-02 -1.7034200000e-02  9.1690000000e-04  3.9753000000e-03  5.4778000000e-03  1.4726100000e-02  3.3266000000e-03  1.3222900000e-02 -1.7688800000e-02  3.7505000000e-03 -9.1631000000e-03  4.6394000000e-03 -1.0010400000e-02 -3.1580000000e-03  3.4509000000e-03  2.4043000000e-03  3.1602000000e-03  2.9877000000e-03 -5.0763000000e-03  3.8581000000e-03 -8.7854000000e-03  3.9824000000e-03 -2.4897000000e-03  4.9586000000e-03 -7.3542000000e-03  1.3310000000e-04 -2.9557000000e-03  1.0126100000e-02 -4.2352000000e-03 -1.7130000000e-04 -4.9335000000e-03  2.6150000000e-03 -1.0234200000e-02  8.2866000000e-03  5.8310000000e-04 -1.2765000000e-03  7.7610000000e-04 -3.0042000000e-03  1.2412900000e-02 -5.8345000000e-03  5.8539000000e-03 -7.7460000000e-04 -3.5108000000e-03 -1.0659900000e-02  3.8771000000e-03 -4.1800000000e-05 -6.0294000000e-03 -4.3647000000e-03  5.0617000000e-03  1.1211900000e-02

JOB 297
COORDS  -1.8818700000e+00 -1.5818200000e+00  1.7181800000e+00 -2.2031700000e+00 -6.8042000000e-01  1.6965400000e+00 -1.0525300000e+00 -1.5296500000e+00  2.1932500000e+00  1.3204900000e+00 -1.0334200000e+00  1.7636100000e+00  1.1852700000e+00 -1.9220100000e+00  1.4344500000e+00  7.9064000000e-01 -4.8128000000e-01  1.1886100000e+00 -1.4589800000e+00  1.1649600000e+00 -4.2284000000e-01 -1.0526800000e+00  1.3191100000e+00  4.3003000000e-01 -8.0953000000e-01  1.4695400000e+00 -1.0566300000e+00  9.5563000000e-01 -3.4862800000e+00 -3.9012600000e+00  2.7974000000e-01 -2.8943900000e+00 -4.2315100000e+00  1.7636500000e+00 -2.9747900000e+00 -3.9426500000e+00  1.5979000000e+00  1.2530600000e+00  3.3645600000e+00  2.4518400000e+00  1.6661600000e+00  3.4924600000e+00  1.7946800000e+00  4.2695000000e-01  2.9229100000e+00 -2.9022200000e+00  3.3927300000e+00 -7.4623000000e-01 -2.5951600000e+00  2.5295000000e+00 -4.6913000000e-01 -2.5377400000e+00  3.5067400000e+00 -1.6239500000e+00  3.1900000000e-02 -3.7583600000e+00  1.0108800000e+00 -8.2733000000e-01 -3.3444900000e+00  1.0925100000e+00  5.6650000000e-02 -4.4017200000e+00  1.7192000000e+00 -9.5096000000e-01  1.5696200000e+00  2.3494000000e+00 -7.7030000000e-02  1.6453300000e+00  2.7324800000e+00 -1.0569600000e+00  2.3689600000e+00  1.8336000000e+00  2.4102900000e+00 -9.8907000000e-01 -2.8058400000e+00  3.1541600000e+00 -6.8175000000e-01 -2.2877400000e+00  1.8118400000e+00 -1.3706900000e+00 -2.1636200000e+00  8.0369000000e-01  1.8133000000e+00 -1.9436700000e+00  8.8880000000e-01  1.0528900000e+00 -2.5188000000e+00  1.6707000000e+00  1.9155400000e+00 -1.5511400000e+00 -7.1183000000e-01  3.8625900000e+00  9.5903000000e-01 -2.7074000000e-01  4.6689700000e+00  1.2262600000e+00 -1.5274800000e+00  4.1579700000e+00  5.5443000000e-01  5.9227000000e-01 -2.2560700000e+00 -1.3393000000e+00  5.9644000000e-01 -2.8815300000e+00 -6.1472000000e-01  6.5374000000e-01 -2.7989100000e+00 -2.1252800000e+00
ENERGY -9.171571288601e+02
EMD0 -2.992877720000e+02
FORCES  -5.8301000000e-03  8.6400000000e-03 -1.6546000000e-03  2.7508000000e-03 -4.3084000000e-03  3.8668000000e-03 -2.4595000000e-03 -4.9052000000e-03 -6.3503000000e-03  2.5520000000e-03 -5.8940000000e-03  9.0060000000e-04 -2.7792000000e-03  1.0462400000e-02 -1.4405000000e-03  3.8933000000e-03 -4.5025000000e-03  4.0372000000e-03  8.2117000000e-03  1.2905000000e-03  2.7580000000e-04 -1.8517000000e-03  8.0000000000e-03 -8.8401000000e-03 -9.6886000000e-03 -9.1700000000e-04  5.8644000000e-03  3.0123000000e-03 -5.5332000000e-03 -7.2007000000e-03  4.9206000000e-03  1.6814000000e-03  5.5878000000e-03 -9.7231000000e-03 -1.4272000000e-03  2.7836000000e-03 -7.4878000000e-03 -4.4877000000e-03  2.8050000000e-04  1.7673000000e-03 -6.4422000000e-03 -3.1348000000e-03  4.1097000000e-03  1.4510800000e-02  2.1378000000e-03  4.5363000000e-03 -2.1617500000e-02 -6.3840000000e-04 -3.1100000000e-03  1.7983000000e-02 -3.3710000000e-04  1.1680000000e-03 -1.2533000000e-03  2.0069000000e-03 -3.0652000000e-03 -3.9042000000e-03 -4.9205000000e-03  1.2125200000e-02 -8.0082000000e-03  5.6946000000e-03 -6.1584000000e-03  4.2883000000e-03  1.2348000000e-03  6.8392000000e-03  1.4474700000e-02  7.9604000000e-03 -9.1079000000e-03  2.0520000000e-03 -9.8808000000e-03  1.1264000000e-03 -1.5877100000e-02 -5.4738000000e-03 -7.6148000000e-03 -1.0015100000e-02  8.1388000000e-03 -5.0432000000e-03  1.5900000000e-04  3.8697000000e-03  1.0597600000e-02  3.8535000000e-03 -1.4215000000e-02 -5.7180000000e-04  1.0869000000e-03  2.0788000000e-03 -1.0191000000e-03  5.7573000000e-03  5.4182000000e-03  6.6740000000e-04 -3.7554000000e-03 -3.5913000000e-03 -5.2754000000e-03 -1.0188600000e-02 -1.5993000000e-03 -5.6066000000e-03  2.2434000000e-03 -4.7613000000e-03  1.3738200000e-02  4.8161000000e-03  1.2411800000e-02 -3.9231000000e-03 -3.8881000000e-03 -1.8520000000e-03  1.5549000000e-03  3.3853000000e-03 -9.2268000000e-03  6.7445000000e-03  1.2240300000e-02  1.0568400000e-02

JOB 298
COORDS  -2.0140500000e+00 -2.0625100000e+00  1.8466100000e+00 -1.5880000000e+00 -1.2579500000e+00  1.5510000000e+00 -1.9637900000e+00 -2.0237300000e+00  2.8017000000e+00  1.5754700000e+00 -5.4775000000e-01  2.3885400000e+00  1.7069400000e+00 -1.1723900000e+00  3.1018100000e+00  1.0116300000e+00 -1.0082900000e+00  1.7670800000e+00 -4.2890000000e-01  1.2946700000e+00 -1.1910700000e+00 -5.2054000000e-01  1.0318400000e+00 -2.7524000000e-01  5.1545000000e-01  1.3774700000e+00 -1.3236400000e+00 -2.4702600000e+00 -1.3761700000e+00 -1.0839600000e+00 -3.0777700000e+00 -1.7573900000e+00 -1.7178700000e+00 -2.6450200000e+00 -4.3573000000e-01 -1.1196700000e+00  1.6257500000e+00  2.0909700000e+00  1.2835900000e+00  1.9783700000e+00  2.1058500000e+00  3.9383000000e-01  1.7616600000e+00  1.1912200000e+00  1.5805900000e+00 -2.2056200000e+00  3.1500000000e+00 -9.1402000000e-01 -1.2997000000e+00  2.8915500000e+00 -1.0835300000e+00 -2.1514800000e+00  4.0774900000e+00 -6.8366000000e-01 -1.1034000000e-01 -2.6798100000e+00  7.9470000000e-02 -5.8168000000e-01 -2.9679400000e+00  8.6116000000e-01 -7.7921000000e-01 -2.2637700000e+00 -4.6437000000e-01 -9.5135000000e-01  7.0285000000e-01  1.2826300000e+00 -1.3663000000e-01  1.2051700000e+00  1.2948100000e+00 -1.6138200000e+00  1.3121200000e+00  1.6084500000e+00  3.3270500000e+00 -1.2552400000e+00 -1.9403300000e+00  4.1130500000e+00 -1.2513900000e+00 -2.4866000000e+00  3.0341600000e+00 -2.1665000000e+00 -1.9476700000e+00  2.3739100000e+00  1.2028700000e+00 -1.6712000000e+00  2.5479800000e+00  2.6525000000e-01 -1.7537000000e+00  2.3217800000e+00  1.5176000000e+00 -2.5736700000e+00 -2.4199000000e+00  3.0003500000e+00  1.6962000000e+00 -3.2728400000e+00  3.3360600000e+00  1.9719300000e+00 -2.3532000000e+00  3.2438600000e+00  7.7290000000e-01  1.7392900000e+00 -3.5504200000e+00 -1.6984900000e+00  1.2232600000e+00 -3.0576700000e+00 -1.0604100000e+00  1.1314100000e+00 -3.7218100000e+00 -2.4177500000e+00
ENERGY -9.171573499545e+02
EMD0 -2.817609580000e+02
FORCES  -3.6419000000e-03  7.1295000000e-03 -9.4335000000e-03  1.0622000000e-03 -1.4700300000e-02  6.7535000000e-03  3.5856000000e-03  1.5329000000e-03 -3.2978000000e-03  1.9722000000e-03  3.7591000000e-03  2.0652000000e-03 -5.0607000000e-03 -4.1319000000e-03 -3.9758000000e-03  4.0520000000e-03  2.3588000000e-03  7.9362000000e-03 -4.2631000000e-03 -1.1331600000e-02  1.4653000000e-02  1.4663200000e-02  9.7843000000e-03 -1.3568000000e-03 -1.1589300000e-02  3.9185000000e-03  7.4348000000e-03  1.3268000000e-03  1.3890000000e-03  4.4107000000e-03  6.6500000000e-05  5.6650000000e-03 -6.3780000000e-04 -7.5370000000e-03 -6.3323000000e-03 -3.2120000000e-03  1.1271400000e-02  2.3407000000e-03  7.1243000000e-03 -5.0270000000e-03 -3.5884000000e-03  6.9038000000e-03 -1.0384300000e-02  7.5477000000e-03 -1.4635000000e-02  9.6124000000e-03 -2.2507500000e-02 -4.3304000000e-03 -1.0329400000e-02  2.2718400000e-02  7.9399000000e-03  4.3263000000e-03 -1.1038100000e-02  1.2032200000e-02 -1.3067800000e-02 -2.4435000000e-03  4.7668000000e-03  5.7819000000e-03  3.1717000000e-03 -4.1875000000e-03  1.0476100000e-02 -8.5329000000e-03  3.9405000000e-03  1.7923000000e-03  1.7013500000e-02 -2.3028000000e-03 -1.3000200000e-02 -8.1866000000e-03 -1.6704700000e-02  1.1650500000e-02 -1.0303000000e-02 -3.8286000000e-03 -1.0933800000e-02 -3.7376000000e-03  8.0133000000e-03 -3.7043000000e-03 -5.5313000000e-03 -1.5344000000e-03  1.6283800000e-02  1.3923200000e-02 -4.9933000000e-03  1.0635100000e-02 -1.8684600000e-02  1.3814000000e-03 -7.6369000000e-03  1.8400500000e-02 -5.4753000000e-03 -1.7983000000e-03 -5.4881000000e-03  9.2490000000e-04  5.2698000000e-03 -2.5299000000e-03 -1.8062200000e-02  1.1301000000e-03  3.3732000000e-03 -7.2337000000e-03 -2.7579000000e-03  1.2284100000e-02  1.0413500000e-02 -1.1648500000e-02 -2.1143000000e-03  1.4164100000e-02  8.9212000000e-03  1.7732000000e-03 -1.7820200000e-02 -1.4989000000e-03  3.0984000000e-03  2.1638000000e-03

JOB 299
COORDS  -1.0283000000e+00 -1.8802200000e+00  1.7816200000e+00 -1.2657600000e+00 -9.5352000000e-01  1.7491300000e+00 -1.2811500000e+00 -2.1620800000e+00  2.6607400000e+00  1.7230900000e+00 -1.6966400000e+00  2.2663700000e+00  8.1829000000e-01 -1.9350400000e+00  2.0645400000e+00  2.2361100000e+00 -2.0761400000e+00  1.5529100000e+00 -1.0809100000e+00  9.6335000000e-01 -9.8560000000e-01 -9.5476000000e-01  9.7106000000e-01 -3.6780000000e-02 -2.2994000000e-01  1.2171300000e+00 -1.3429100000e+00 -1.3118500000e+00 -1.4285100000e+00 -2.1942100000e+00 -1.4723500000e+00 -1.0824300000e+00 -3.0721100000e+00 -1.2955000000e+00 -6.5501000000e-01 -1.6306000000e+00  1.4652800000e+00  9.6206000000e-01  1.4544500000e+00  1.6926200000e+00  1.0930100000e+00  5.3391000000e-01  1.6936800000e+00  4.9350000000e-02  1.6305700000e+00 -1.6710300000e+00  3.9785600000e+00 -1.0709200000e+00 -1.2974400000e+00  3.1029900000e+00 -1.1711800000e+00 -2.4579600000e+00  3.9675400000e+00 -1.6157600000e+00 -3.1114000000e-01 -3.9217000000e+00 -1.3484000000e-01 -5.0146000000e-01 -3.9037100000e+00  8.0307000000e-01 -8.8147000000e-01 -3.2498300000e+00 -5.0839000000e-01 -1.2776900000e+00  1.0149500000e+00  1.8555800000e+00 -4.0206000000e-01  1.0166800000e+00  2.2422500000e+00 -1.5354200000e+00  1.9366900000e+00  1.8410300000e+00  1.9924700000e+00 -7.9467000000e-01 -2.6113000000e+00  1.1250800000e+00 -1.0456500000e+00 -2.9289100000e+00  2.1306200000e+00 -1.3383600000e+00 -1.8357100000e+00  1.3783100000e+00  1.6514300000e+00 -1.3752500000e+00  1.9515500000e+00  9.8886000000e-01 -1.7607600000e+00  1.9323000000e+00  2.4272500000e+00 -1.2890100000e+00 -1.9044000000e+00  3.6609000000e+00  1.5469900000e+00 -2.8425600000e+00  3.5021600000e+00  1.6513800000e+00 -1.8151600000e+00  3.9932100000e+00  6.5377000000e-01  2.0813600000e+00 -2.4955400000e+00 -4.8953000000e-01  1.1783100000e+00 -2.8039300000e+00 -4.1458000000e-01  2.6119900000e+00 -3.2899700000e+00 -4.2988000000e-01
ENERGY -9.171945234105e+02
EMD0 -3.585293280000e+02
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