* N-Me-Leu
*
MLE      22    21     38     45     104
    1     0 M   N    _N__     1     1.33000   115.36692  -180.00000
    2     1 M   CT   _CN_     2     1.49985   119.99997    -0.00000
    3     2 S   HC   HCN1     3     1.08982   109.49958     0.00000
    4     2 S   HC   HCN2     4     1.08996   109.46111   120.00000
    5     2 S   HC   HCN3     5     1.08923   109.48075   240.00000
    6     1 M   CT1  _CA_     6     1.45124   124.00648  -180.00000
    7     6 S   HC   _HA_     7     1.11212   109.49998   300.00000
    8     6 S   CTD  _CB_     8     1.55304   112.30192    60.00000
    9     8 S   HC   1HB_     9     1.11228   106.35660   -58.33321
   10     8 S   HC   2HB_    10     1.11269   106.39222    58.27595
   11     6 M   C    _C__    21     1.52639   107.27471   180.00000
   12    11 S   O    _O__    22     1.23216   119.70737     0.00000
   13     8 S   CT   _CG_    11     1.54945   121.58512   179.98022
   14    13 S   HC   _HG_    12     1.11304   107.72444   -62.40521
   15    13 S   CT   _CD1    13     1.52699   112.23143    56.00317
   16    15 S   HC   1HD1    14     1.11238   109.97956   180.00000
   17    15 S   HC   2HD1    15     1.11244   109.45669   -59.66343
   18    15 S   HC   3HD1    16     1.11349   109.41942    59.70999
   19    13 S   CT   _CD2    17     1.52810   110.71199   179.98022
   20    19 S   HC   1HD2    18     1.11309   110.00842   179.98022
   21    19 S   HC   2HD2    19     1.11233   109.50489   -59.69236
   22    19 S   HC   3HD2    20     1.11368   109.45232    59.71520
  12   7   3   2   1  10   6  14   6   5   2   1   9   8   7   3
   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    13    11    12  
    3     4     5     6     7     8    11  
    4     5     6  
    5     6  
    6  
    7     8     9    10    13    14    15    19    11    12  
    8     9    10    13    11    12  
    9    10    13    14    15    16    17    18    19    20    21    22    11    12  
   10    13    14    15    19    11  
   13    14    15    19    11  
   12    13  
    0  
   14    15    16    17    18    19    20    21    22  
   15    16    17    18    19    20    21    22  
   16    17    18    19    20    21    22  
   17    18    19  
   18    19  
   19  
   20    21    22  
   21    22  
   22  
    0  
NBON
    1   3.2500   0.1700  -0.3800   1.8100   1.6000   0.054801302  -1.445846770
    2   3.5000   0.0660   0.0000   1.9750   1.7500   0.005000000  -0.741685710
    3   2.5000   0.0300   0.0600   1.3810   1.2100   0.008598240   0.268726247
    4   2.5000   0.0300   0.0600   1.3810   1.2100   0.008598240   0.268726247
    5   2.5000   0.0300   0.0600   1.3810   1.2100   0.008598240   0.268726247
    6   3.5000   0.0660   0.1400   1.9750   1.7500   0.005000000  -0.741685710
    7   2.5000   0.0300   0.0600   1.3810   1.2100   0.008598240   0.268726247
    8   3.5000   0.0660  -0.1200   1.9750   1.7500   0.005000000  -0.741685710
    9   2.5000   0.0300   0.0600   1.4250   1.2500   0.008598240   0.268726247
   10   2.5000   0.0300   0.0600   1.4250   1.2500   0.008598240   0.268726247
   11   3.7500   0.1050   0.5000   1.9250   1.7000   0.001000000  -0.126889456
   12   2.9600   0.2100  -0.5000   1.5250   1.4250   0.001000000  -1.480495490
   13   3.5000   0.0660  -0.0600   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.0600   1.4250   1.2500   0.008598240   0.268726247
   15   3.5000   0.0660  -0.1800   1.9750   1.7500   0.005000000  -0.741685710
   16   2.5000   0.0300   0.0600   1.4250   1.2500   0.008598240   0.268726247
   17   2.5000   0.0300   0.0600   1.4250   1.2500   0.008598240   0.268726247
   18   2.5000   0.0300   0.0600   1.4250   1.2500   0.008598240   0.268726247
   19   3.5000   0.0660  -0.1800   1.9750   1.7500   0.005000000  -0.741685710
   20   2.5000   0.0300   0.0600   1.4250   1.2500   0.008598240   0.268726247
   21   2.5000   0.0300   0.0600   1.4250   1.2500   0.008598240   0.268726247
   22   2.5000   0.0300   0.0600   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   337.000  1.449
    1     6   337.000  1.449
    2     3   340.000  1.090
    2     4   340.000  1.090
    2     5   340.000  1.090
    6     7   340.000  1.090
    6     8   268.000  1.529
    6    11   317.000  1.522
    8     9   340.000  1.090
    8    10   340.000  1.090
    8    13   268.000  1.529
   13    14   340.000  1.090
   13    15   268.000  1.529
   13    19   268.000  1.529
   15    16   340.000  1.090
   15    17   340.000  1.090
   15    18   340.000  1.090
   19    20   340.000  1.090
   19    21   340.000  1.090
   19    22   340.000  1.090
   11    12   570.000  1.229
THET
    1     2     3    35.00000  109.50000
    1     2     4    35.00000  109.50000
    1     2     5    35.00000  109.50000
    1     6     7    35.00000  109.50000
    1     6     8    80.00000  109.70000
    1     6    11    63.00000  110.10000
    4     2     3    33.00000  107.80000
    5     2     3    33.00000  107.80000
    5     2     4    33.00000  107.80000
    6     1     2    70.00000  118.74000
    6     8     9    37.50000  110.70000
    6     8    10    37.50000  110.70000
    6     8    13    58.35000  112.70000
    6    11    12    80.00000  120.40000
    8     6     7    37.50000  110.70000
    8    13    14    37.50000  110.70000
    8    13    15    58.35000  112.70000
    8    13    19    58.35000  112.70000
   10     8     9    33.00000  107.80000
   13     8     9    37.50000  110.70000
   13     8    10    37.50000  110.70000
   13    15    16    37.50000  110.70000
   13    15    17    37.50000  110.70000
   13    15    18    37.50000  110.70000
   13    19    20    37.50000  110.70000
   13    19    21    37.50000  110.70000
   13    19    22    37.50000  110.70000
   15    13    14    37.50000  110.70000
   17    15    16    33.00000  107.80000
   18    15    16    33.00000  107.80000
   18    15    17    33.00000  107.80000
   19    13    14    37.50000  110.70000
   19    13    15    58.35000  112.70000
   21    19    20    33.00000  107.80000
   22    19    20    33.00000  107.80000
   22    19    21    33.00000  107.80000
   11     6     7    35.00000  109.50000
   11     6     8    63.00000  111.10000
PHI
    1     6     8     9   0.23200  1.0 3.0
    1     6     8    10   0.23200  1.0 3.0
    1     6     8    13   0.26400  1.0 1.0
    1     6     8    13   0.16150 -1.0 2.0
    1     6     8    13   0.25850  1.0 3.0
    1     6    11    12   0.00000  1.0 1.0
    2     1     6     7   0.00000  1.0 1.0
    2     1     6     8  -0.05900 -1.0 2.0
    2     1     6    11   0.17850 -1.0 2.0
    6     1     2     3   0.00000  1.0 1.0
    6     1     2     4   0.00000  1.0 1.0
    6     1     2     5   0.00000  1.0 1.0
    6     8    13    14   0.15000  1.0 3.0
    6     8    13    15   0.65000  1.0 1.0
    6     8    13    15  -0.02500 -1.0 2.0
    6     8    13    15   0.10000  1.0 3.0
    6     8    13    19   0.65000  1.0 1.0
    6     8    13    19  -0.02500 -1.0 2.0
    6     8    13    19   0.10000  1.0 3.0
    7     6     8     9   0.15000  1.0 3.0
    7     6     8    10   0.15000  1.0 3.0
    7     6     8    13   0.15000  1.0 3.0
    7     6    11    12   0.00000  1.0 1.0
    8     6    11    12   0.00000  1.0 1.0
    8    13    15    16   0.15000  1.0 3.0
    8    13    15    17   0.15000  1.0 3.0
    8    13    15    18   0.15000  1.0 3.0
    8    13    19    20   0.15000  1.0 3.0
    8    13    19    21   0.15000  1.0 3.0
    8    13    19    22   0.15000  1.0 3.0
    9     8    13    14   0.15000  1.0 3.0
    9     8    13    15   0.15000  1.0 3.0
    9     8    13    19   0.15000  1.0 3.0
   10     8    13    14   0.15000  1.0 3.0
   10     8    13    15   0.15000  1.0 3.0
   10     8    13    19   0.15000  1.0 3.0
   14    13    15    16   0.15000  1.0 3.0
   14    13    15    17   0.15000  1.0 3.0
   14    13    15    18   0.15000  1.0 3.0
   14    13    19    20   0.15000  1.0 3.0
   14    13    19    21   0.15000  1.0 3.0
   14    13    19    22   0.15000  1.0 3.0
   15    13    19    20   0.15000  1.0 3.0
   15    13    19    21   0.15000  1.0 3.0
   15    13    19    22   0.15000  1.0 3.0
   19    13    15    16   0.15000  1.0 3.0
   19    13    15    17   0.15000  1.0 3.0
   19    13    15    18   0.15000  1.0 3.0
   11     6     8     9  -0.03800  1.0 3.0
   11     6     8    10  -0.03800  1.0 3.0
   11     6     8    13  -0.45800  1.0 1.0
   11     6     8    13   0.20550 -1.0 2.0
IPHI
END
