CRO      30    31     49     79     140
    1     0 S   N    _N1_     1     1.33186   116.42124   -45.42120
    2     1 S   H    _H1_    20     1.01000   119.99999    -0.95470
    3     1 S   CT   _C1_     2     1.45008   118.36828   179.04571
    4     3 S   HC   _H2_    21     1.09000   109.49993    -5.39830
    5     3 S   HC   _H3_    22     1.09000   109.50019   114.60204
    6     3 S   CA   _C2_     3     1.47941   109.44243  -125.39792
    7     6 S   NZ   _N2_     4     1.31052   128.94216   -93.89198
    8     6 S   N    _N3_     5     1.34748   122.87965    83.34754
    9     8 S   C    _C3_     6     1.35667   113.17105  -179.42223
   10     9 S   O    _O1_     7     1.20860   125.75063  -179.91377
   11     8 S   CT1  _C5_     9     1.46469   126.58592    -0.75899
   12    11 S   HC   _H4_    23     1.09000   109.50005  -150.37218
   13    11 S   HC   _H5_    24     1.09000   109.49996   -30.37220
   14     7 S   CM   _C4_     8     1.38948   109.98416   178.35135
   15    11 S   C    _C6_    10     1.48200   122.11064    89.62766
   16    15 S   O    _O2_    11     1.22756   120.21909   162.45357
   17    14 S   CM   _C7_    12     1.39111   132.40182  -177.92887
   18    17 S   HC   _H6_    25     1.08000   120.00009  -178.31809
   19    17 S   CA   _C8_    13     1.44527   131.16901     1.68191
   20    19 S   CA   _C9_    14     1.44381   125.83244     0.58283
   21    20 S   HA   _H7_    26     1.08000   120.00015    -0.85249
   22    19 S   CA   _C10    15     1.44636   117.34187   179.49681
   23    22 S   HA   _H8_    27     1.08000   119.99998     0.70693
   24    20 S   CA   _C11    16     1.41486   120.99187   179.14774
   25    24 S   HA   _H9_    28     1.08000   119.99993   180.00000
   26    22 S   CA   _C12    17     1.41963   121.19659  -179.29279
   27    26 S   HA   _H10    29     1.08000   120.00012  -179.88465
   28    24 S   CA   _C13    18     1.42802   121.69414    -0.00000
   29    28 S   OH   _O3_    19     1.36478   120.82209   179.84423
   30    29 S   HO   _H11    30     0.96000   109.50014   179.97202
   7   4   8   4   3  10   8   9   9   3   5   3   2   5   1   1
   8   3   9   8   4   6   3   6   3   4   2   2   1   1
    3     6     7     8     2     4     5  
    4     5     3     6  
    6     7     8     9    14    11     4     5  
    5     6     7     8  
    6     7     8  
    7     8     9    10    14    11    15    17    12    13  
    8     9    10    14    11    17    19    18  
    9    10    14    11    15    16    17    12    13  
   10    14    11    15    17    19    12    13    18  
   14    11    17  
   15    16    12    13    14  
   13    15    16  
   15    16  
   17    19    20    22    18  
   16  
    0  
   19    20    22    24    26    18    21    23  
   19    20    22  
   20    22    24    26    28    21    23    25    27  
   22    24    26    28    29    21    23    25  
   25    22    24    28  
   24    26    28    29    23    27  
   27    26    28  
   26    28    29    25    27    30  
   26    28    29  
   28    29    27    30  
   28    29  
   29    30  
   30  
    0  
NBON
    1   3.2500   0.1700  -0.500000   1.9200   1.7000   0.168599800  -5.228863800
    2   0.0000   0.0000   0.300000   0.9960   0.8600   0.079817800  -1.129220000
    3   3.5000   0.0660   0.080000   1.9750   1.7500   0.000085900  -0.754493700
    4   2.5000   0.0300   0.060000   1.4250   1.2500   0.008394800   0.285390400
    5   2.5000   0.0300   0.060000   1.4250   1.2500   0.008394800   0.285390400
    6   2.2500   0.0500   0.567500   2.0020   1.7750  -0.026970600   0.118943300
    7   3.2000   0.1700  -0.567500   2.4700   2.2000   0.145336600 -18.837580000
    8   3.2500   0.1700  -0.192500   1.9200   1.7000   0.168599800  -5.228863800
    9   3.7500   0.1050   0.500000   2.1120   1.8750  -0.026933700  -0.722204000
   10   2.9600   0.2100  -0.500000   1.6780   1.4800   0.010478200   0.635855300
   11   3.5000   0.0660  -0.050000   1.9750   1.7500   0.000085900  -0.754493700
   12   2.5000   0.0300   0.060000   1.4250   1.2500   0.008394800   0.285390400
   13   2.5000   0.0300   0.060000   1.4250   1.2500   0.008394800   0.285390400
   14   3.5500   0.0760   0.122500   2.0020   1.7750   0.026786700  -0.863053900
   15   3.7500   0.1050   0.500000   2.1120   1.8750  -0.026933700  -0.722204000
   16   2.9600   0.2100  -0.500000   1.6780   1.4800   0.010478200   0.635855300
   17   3.5500   0.0760  -0.115000   2.0020   1.7750   0.026786700  -0.863053900
   18   2.4200   0.0300   0.115000   1.4250   1.2500   0.008394800   0.285390400
   19   3.5500   0.0700   0.000000   2.0020   1.7750  -0.026970600   0.118943300
   20   3.5500   0.0700  -0.115000   2.0020   1.7750  -0.026970600   0.118943300
   21   2.4200   0.0300   0.115000   1.3810   1.2100   0.048476300  -0.590796200
   22   3.5500   0.0700  -0.115000   2.0020   1.7750  -0.026970600   0.118943300
   23   2.4200   0.0300   0.115000   1.3810   1.2100   0.048476300  -0.590796200
   24   3.5500   0.0700  -0.115000   2.0020   1.7750  -0.026970600   0.118943300
   25   2.4200   0.0300   0.115000   1.3810   1.2100   0.048476300  -0.590796200
   26   3.5500   0.0700  -0.115000   2.0020   1.7750  -0.026970600   0.118943300
   27   2.4200   0.0300   0.115000   1.3810   1.2100   0.048476300  -0.590796200
   28   3.5500   0.0700   0.150000   2.0020   1.7750  -0.026970600   0.118943300
   29   3.0700   0.1700  -0.585000   1.7660   1.5600   0.009360800   0.302472000
   30   0.0000   0.0000   0.435000   0.9960   0.8600   0.079817800  -1.129220000
BOND
    1     3   337.000  1.449
    1     2   434.000  1.010
    3     6   317.000  1.510
    3     4   340.000  1.090
    3     5   340.000  1.090
    6     7   500.000  1.261
    6     8   427.000  1.381
    7    14   500.000  1.389
    8     9   490.000  1.335
    8    11   337.000  1.449
    9    10   570.000  1.229
    9    14   410.000  1.444
   14    17   549.000  1.340
   11    15   317.000  1.522
   11    12   340.000  1.090
   11    13   340.000  1.090
   15    16   570.000  1.229
   17    19   427.000  1.433
   17    18   340.000  1.080
   19    20   469.000  1.400
   19    22   469.000  1.400
   20    24   469.000  1.400
   20    21   367.000  1.080
   22    26   469.000  1.400
   22    23   367.000  1.080
   24    28   469.000  1.400
   24    25   367.000  1.080
   26    28   469.000  1.400
   26    27   367.000  1.080
   28    29   450.000  1.364
   29    30   553.000  0.945
THET
    1     3     6    80.00000  109.70000
    1     3     4    35.00000  109.50000
    1     3     5    35.00000  109.50000
    3     6     7    70.00000  120.00000
    3     6     8    80.00000  109.70000
    6     7    14    50.00000  120.50000
    6     8     9    50.00000  121.90000
    6     8    11    50.00000  118.00000
    7    14     9    70.00000  121.20000
    7    14    17    70.00000  121.20000
    8     6     7    70.00000  124.10000
    8     9    10    80.00000  122.90000
    8     9    14    70.00000  115.50000
    8    11    15    63.00000  110.10000
    8    11    12    35.00000  109.50000
    8    11    13    35.00000  109.50000
    9    14    17    70.00000  118.70000
   14     9    10    80.00000  125.30000
   14    17    19    85.00000  117.00000
   14    17    18    35.00000  120.00000
   11     8     9    50.00000  121.90000
   11    15    16    80.00000  120.40000
   17    19    20    70.00000  124.00000
   17    19    22    70.00000  124.00000
   19    20    24    63.00000  120.00000
   19    20    21    35.00000  120.00000
   19    22    26    63.00000  120.00000
   19    22    23    35.00000  120.00000
   20    24    28    63.00000  120.00000
   20    24    25    35.00000  120.00000
   22    19    20    63.00000  120.00000
   22    26    28    63.00000  120.00000
   22    26    27    35.00000  120.00000
   24    28    26    63.00000  120.00000
   24    28    29    70.00000  120.00000
   26    28    29    70.00000  120.00000
   28    29    30    35.00000  113.00000
    2     1     3    38.00000  118.40000
    4     3     6    35.00000  109.50000
    5     3     6    35.00000  109.50000
    5     3     4    33.00000  107.80000
   12    11    15    35.00000  109.50000
   13    11    15    35.00000  109.50000
   13    11    12    33.00000  107.80000
   18    17    19    35.00000  123.30000
   21    20    24    35.00000  120.00000
   23    22    26    35.00000  120.00000
   25    24    28    35.00000  120.00000
   27    26    28    35.00000  120.00000
PHI
    1     3     6     7   0.90800  1.0 1.0
    1     3     6     7   0.61100 -1.0 2.0
    1     3     6     7   0.79050  1.0 3.0
    1     3     6     8   0.90800  1.0 1.0
    1     3     6     8   0.61100 -1.0 2.0
    1     3     6     8   0.79050  1.0 3.0
    3     6     7    14   1.40000 -1.0 2.0
    3     6     8     9  -0.69800  1.0 1.0
    3     6     8     9  -0.21350 -1.0 2.0
    3     6     8    11   1.15000  1.0 1.0
    3     6     8    11   3.04450 -1.0 2.0
    6     7   -14     9   1.52500 -1.0 2.0
    6     7    14    17   1.52500 -1.0 2.0
    6     8     9    10   3.04450 -1.0 2.0
    6     8    -9    14   1.15000  1.0 1.0
    6     8    -9    14   3.04450 -1.0 2.0
    6     8    11    15  -1.18250  1.0 1.0
    6     8    11    15   0.45600 -1.0 2.0
    6     8    11    15  -0.42500  1.0 3.0
    6     8    11    12   0.00000  1.0 1.0
    6     8    11    13   0.00000  1.0 1.0
    7     6    -8     9   3.96800 -1.0 2.0
    7     6     8    11   3.96800 -1.0 2.0
    7    14    17    19   7.00000 -1.0 2.0
    7    14    17    18   7.00000 -1.0 2.0
    8     6    -7    14   1.82550 -1.0 2.0
    8     9   -14     7   3.50000 -1.0 2.0
    8     9    14    17   0.55000 -1.0 2.0
    8    11    15    16   0.00000  1.0 1.0
    9     8    11    15  -1.18250  1.0 1.0
    9     8    11    15   0.45600 -1.0 2.0
    9     8    11    15  -0.42500  1.0 3.0
    9     8    11    12   0.00000  1.0 1.0
    9     8    11    13   0.00000  1.0 1.0
    9    14    17    19   7.00000 -1.0 2.0
    9    14    17    18   7.00000 -1.0 2.0
   10     9    14     7   0.41000 -1.0 2.0
   10     9    14    17   1.25000  1.0 1.0
   10     9    14    17   3.00000 -1.0 2.0
   14    17    19    20   0.62050  1.0 1.0
   14    17    19    20   1.67650 -1.0 2.0
   14    17    19    20  -0.14300  1.0 3.0
   14    17    19    22   0.62050  1.0 1.0
   14    17    19    22   1.67650 -1.0 2.0
   14    17    19    22  -0.14300  1.0 3.0
   11     8     9    10   3.04450 -1.0 2.0
   11     8     9    14   1.15000  1.0 1.0
   11     8     9    14   3.04450 -1.0 2.0
   17    19    20    24   3.62500 -1.0 2.0
   17    19    20    21   3.62500 -1.0 2.0
   17    19    22    26   3.62500 -1.0 2.0
   17    19    22    23   3.62500 -1.0 2.0
   19    20    24    28   3.62500 -1.0 2.0
   19    20    24    25   3.62500 -1.0 2.0
   19    22   -26    28   3.62500 -1.0 2.0
   19    22    26    27   3.62500 -1.0 2.0
   20    19    22    26   3.62500 -1.0 2.0
   20    19    22    23   3.62500 -1.0 2.0
   20    24   -28    26   3.62500 -1.0 2.0
   20    24    28    29   3.62500 -1.0 2.0
   22    19    20    24   3.62500 -1.0 2.0
   22    19    20    21   3.62500 -1.0 2.0
   22    26   -28    24   3.62500 -1.0 2.0
   22    26    28    29   3.62500 -1.0 2.0
   24    28    29    30   0.84100 -1.0 2.0
   26    28    29    30   0.84100 -1.0 2.0
    2     1     3     6   0.00000  1.0 1.0
    2     1     3     4   0.00000  1.0 1.0
    2     1     3     5   0.00000  1.0 1.0
    4     3     6     7  -0.50650  1.0 1.0
    4     3     6     7  -0.35450 -1.0 2.0
    4     3     6     7   0.23650  1.0 3.0
    4     3     6     8  -0.50650  1.0 1.0
    4     3     6     8  -0.35450 -1.0 2.0
    4     3     6     8   0.23650  1.0 3.0
    5     3     6     7  -0.50650  1.0 1.0
    5     3     6     7  -0.35450 -1.0 2.0
    5     3     6     7   0.23650  1.0 3.0
    5     3     6     8  -0.50650  1.0 1.0
    5     3     6     8  -0.35450 -1.0 2.0
    5     3     6     8   0.23650  1.0 3.0
   12    11    15    16   0.00000  1.0 1.0
   13    11    15    16   0.00000  1.0 1.0
   18    17    19    20   0.00000  1.0 1.0
   18    17    19    22   0.00000  1.0 1.0
   21    20    24    28   3.62500 -1.0 2.0
   21    20    24    25   3.62500 -1.0 2.0
   23    22    26    28   3.62500 -1.0 2.0
   23    22    26    27   3.62500 -1.0 2.0
   25    24    28    26   3.62500 -1.0 2.0
   25    24    28    29   3.62500 -1.0 2.0
   27    26    28    24   3.62500 -1.0 2.0
   27    26    28    29   3.62500 -1.0 2.0
IPHI
    3     8     6     7  10.50000 -1.0 2.0
   11     6     8     9   1.00000 -1.0 2.0
    8    14     9    10  10.50000 -1.0 2.0
    7     9    14    17   1.10000 -1.0 2.0
   19    18    17    14   1.10000 -1.0 2.0
   20    22    19    17   1.10000 -1.0 2.0
   24    21    20    19   1.10000 -1.0 2.0
   26    23    22    19   1.10000 -1.0 2.0
   28    25    24    20   1.10000 -1.0 2.0
   28    27    26    22   1.10000 -1.0 2.0
   26    29    28    24   1.10000 -1.0 2.0
END
