COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.645  -4.970  -2.299  1.00  0.00           N  
HETATM    2  S   UNL     1       3.270  -3.113   1.850  1.00  0.00           S  
HETATM    3  C   UNL     1       0.654  -6.101  -1.591  1.00  0.00           C  
HETATM    4  N   UNL     1       4.238  -1.770   1.818  1.00  0.00           N  
HETATM    5  O   UNL     1       2.154  -2.722   2.639  1.00  0.00           O  
HETATM    6  C   UNL     1       1.099  -6.683  -2.949  1.00  0.00           C  
HETATM    7  N   UNL     1       7.204   1.949  -0.321  1.00  0.00           N  
HETATM    8  O   UNL     1       5.850   0.545   1.063  1.00  0.00           O  
HETATM    9  C   UNL     1       1.448  -4.786  -1.438  1.00  0.00           C  
HETATM   10  N   UNL     1       8.135   1.417  -2.223  1.00  0.00           N  
HETATM   11  O   UNL     1       5.190   4.072   0.900  1.00  0.00           O  
HETATM   12  C   UNL     1       1.866  -4.582   0.019  1.00  0.00           C  
HETATM   13  C   UNL     1       2.775  -3.355   0.122  1.00  0.00           C  
HETATM   14  C   UNL     1       3.676  -0.470   1.444  1.00  0.00           C  
HETATM   15  N   UNL     1       8.598   3.980   0.069  1.00  0.00           N  
HETATM   16  N   UNL     1      -2.290  -1.348   0.426  1.00  0.00           N  
HETATM   17  C   UNL     1       6.319   1.893   0.845  1.00  0.00           C  
HETATM   18  O   UNL     1     -12.405   0.298  -0.237  1.00  0.00           O  
HETATM   19  P   UNL     1     -11.067   0.101  -1.300  1.00  0.00           P  
HETATM   20  O   UNL     1     -10.796  -1.413  -2.069  1.00  0.00           O  
HETATM   21  O   UNL     1     -10.094   1.303  -1.567  1.00  0.00           O  
HETATM   22  C   UNL     1      -9.397   1.855  -0.419  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.501   3.010  -0.873  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.480   2.494  -1.889  1.00  0.00           C  
HETATM   25  C   UNL     1      -9.360   4.098  -1.520  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.767   3.592   0.337  1.00  0.00           C  
HETATM   27  O   UNL     1      -8.713   4.189   1.226  1.00  0.00           O  
HETATM   28  C   UNL     1      -7.030   2.490   1.055  1.00  0.00           C  
HETATM   29  O   UNL     1      -7.426   2.098   2.132  1.00  0.00           O  
HETATM   30  N   UNL     1      -5.931   1.942   0.500  1.00  0.00           N  
HETATM   31  C   UNL     1      -5.277   0.801   1.145  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.063   0.374   0.317  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.389  -0.799   0.981  1.00  0.00           C  
HETATM   34  O   UNL     1      -3.836  -1.250   2.014  1.00  0.00           O  
HETATM   35  C   UNL     1      -1.636  -2.488   1.071  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.422  -2.915   0.243  1.00  0.00           C  
HETATM   37  S   UNL     1       0.389  -4.327   1.042  1.00  0.00           S  
HETATM   38  O   UNL     1       4.135  -4.159   2.273  1.00  0.00           O  
HETATM   39  C   UNL     1       4.648   0.641   1.846  1.00  0.00           C  
HETATM   40  C   UNL     1       4.020   2.017   1.554  1.00  0.00           C  
HETATM   41  O   UNL     1       3.906   2.780   2.758  1.00  0.00           O  
HETATM   42  C   UNL     1       5.016   2.690   0.579  1.00  0.00           C  
HETATM   43  C   UNL     1       8.164   2.898  -0.568  1.00  0.00           C  
HETATM   44  C   UNL     1       8.754   2.543  -1.793  1.00  0.00           C  
HETATM   45  C   UNL     1       7.229   1.063  -1.358  1.00  0.00           C  
HETATM   46  C   UNL     1       9.567   4.713  -0.438  1.00  0.00           C  
HETATM   47  N   UNL     1      10.149   4.422  -1.587  1.00  0.00           N  
HETATM   48  C   UNL     1       9.781   3.359  -2.295  1.00  0.00           C  
HETATM   49  N   UNL     1      10.396   3.064  -3.500  1.00  0.00           N  
HETATM   50  C   UNL     1       2.125  -5.670  -3.502  1.00  0.00           C  
HETATM   51  H   UNL     1       3.345  -5.525  -1.831  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.417  -5.898  -1.600  1.00  0.00           H  
HETATM   53  H   UNL     1       0.901  -6.789  -0.783  1.00  0.00           H  
HETATM   54  H   UNL     1       5.178  -1.844   2.047  1.00  0.00           H  
HETATM   55  H   UNL     1       1.567  -7.657  -2.808  1.00  0.00           H  
HETATM   56  H   UNL     1       0.247  -6.767  -3.623  1.00  0.00           H  
HETATM   57  H   UNL     1       0.855  -3.941  -1.787  1.00  0.00           H  
HETATM   58  H   UNL     1       4.379   4.595   0.836  1.00  0.00           H  
HETATM   59  H   UNL     1       2.403  -5.463   0.370  1.00  0.00           H  
HETATM   60  H   UNL     1       2.237  -2.474  -0.229  1.00  0.00           H  
HETATM   61  H   UNL     1       3.662  -3.508  -0.492  1.00  0.00           H  
HETATM   62  H   UNL     1       3.516  -0.440   0.366  1.00  0.00           H  
HETATM   63  H   UNL     1       2.725  -0.324   1.957  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.933  -0.987  -0.401  1.00  0.00           H  
HETATM   65  H   UNL     1       6.829   2.271   1.731  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.124   2.223   0.305  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.785   1.080   0.042  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.958   1.632  -1.474  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.995   2.201  -2.804  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.761   3.281  -2.112  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.716   4.892  -1.898  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.930   3.669  -2.344  1.00  0.00           H  
HETATM   73  H   UNL     1     -10.046   4.509  -0.779  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.056   4.346   0.002  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.378   3.575   1.564  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.574   2.302  -0.327  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.952   1.087   2.146  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.979  -0.030   1.215  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.388   0.089  -0.683  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.361   1.205   0.248  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.311  -2.203   2.071  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.338  -3.319   1.140  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.747  -3.201  -0.758  1.00  0.00           H  
HETATM   84  H   UNL     1       0.281  -2.084   0.173  1.00  0.00           H  
HETATM   85  H   UNL     1       4.888   0.557   2.906  1.00  0.00           H  
HETATM   86  H   UNL     1       3.044   1.899   1.084  1.00  0.00           H  
HETATM   87  H   UNL     1       3.516   3.656   2.633  1.00  0.00           H  
HETATM   88  H   UNL     1       4.690   2.570  -0.454  1.00  0.00           H  
HETATM   89  H   UNL     1       6.587   0.200  -1.451  1.00  0.00           H  
HETATM   90  H   UNL     1       9.897   5.587   0.105  1.00  0.00           H  
HETATM   91  H   UNL     1      10.118   2.285  -4.007  1.00  0.00           H  
HETATM   92  H   UNL     1      11.104   3.635  -3.836  1.00  0.00           H  
HETATM   93  H   UNL     1       1.638  -4.964  -4.173  1.00  0.00           H  
HETATM   94  H   UNL     1       2.933  -6.191  -4.017  1.00  0.00           H  
CONECT    1   50    9   51                                            
CONECT    2   13   38   38    4                                       
CONECT    2    5    5                                                 
CONECT    3    6    9   52   53                                       
CONECT    4   14    2   54                                            
CONECT    5    2    2                                                 
CONECT    6   50    3   55   56                                       
CONECT    7   45   43   17                                            
CONECT    8   39   17                                                 
CONECT    9    1    3   12   57                                       
CONECT   10   44   45   45                                            
CONECT   11   42   58                                                 
CONECT   12    9   13   37   59                                       
CONECT   13   12    2   60   61                                       
CONECT   14    4   39   62   63                                       
CONECT   15   43   43   46                                            
CONECT   16   35   33   64                                            
CONECT   17    7   42    8   65                                       
CONECT   18   19   19                                                 
CONECT   19   21   18   18   20                                       
CONECT   19   20                                                      
CONECT   20   19   19                                                 
CONECT   21   22   19                                                 
CONECT   22   23   21   66   67                                       
CONECT   23   25   24   26   22                                       
CONECT   24   23   68   69   70                                       
CONECT   25   23   71   72   73                                       
CONECT   26   28   23   27   74                                       
CONECT   27   26   75                                                 
CONECT   28   29   29   30   26                                       
CONECT   29   28   28                                                 
CONECT   30   31   28   76                                            
CONECT   31   32   30   77   78                                       
CONECT   32   33   31   79   80                                       
CONECT   33   34   34   16   32                                       
CONECT   34   33   33                                                 
CONECT   35   36   16   81   82                                       
CONECT   36   37   35   83   84                                       
CONECT   37   12   36                                                 
CONECT   38    2    2                                                 
CONECT   39   14   40    8   85                                       
CONECT   40   41   39   42   86                                       
CONECT   41   40   87                                                 
CONECT   42   40   17   11   88                                       
CONECT   43   44    7   15   15                                       
CONECT   44   10   48   48   43                                       
CONECT   45   10   10    7   89                                       
CONECT   46   47   47   15   90                                       
CONECT   47   48   46   46                                            
CONECT   48   49   44   44   47                                       
CONECT   49   48   91   92                                            
CONECT   50    6    1   93   94                                       
CONECT   51    1                                                      
CONECT   52    3                                                      
CONECT   53    3                                                      
CONECT   54    4                                                      
CONECT   55    6                                                      
CONECT   56    6                                                      
CONECT   57    9                                                      
CONECT   58   11                                                      
CONECT   59   12                                                      
CONECT   60   13                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   14                                                      
CONECT   64   16                                                      
CONECT   65   17                                                      
CONECT   66   22                                                      
CONECT   67   22                                                      
CONECT   68   24                                                      
CONECT   69   24                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   25                                                      
CONECT   73   25                                                      
CONECT   74   26                                                      
CONECT   75   27                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   31                                                      
CONECT   79   32                                                      
CONECT   80   32                                                      
CONECT   81   35                                                      
CONECT   82   35                                                      
CONECT   83   36                                                      
CONECT   84   36                                                      
CONECT   85   39                                                      
CONECT   86   40                                                      
CONECT   87   41                                                      
CONECT   88   42                                                      
CONECT   89   45                                                      
CONECT   90   46                                                      
CONECT   91   49                                                      
CONECT   92   49                                                      
CONECT   93   50                                                      
CONECT   94   50                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
