COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      11.180   1.187  -7.737  1.00  0.00           N  
HETATM    2  C   UNL     1      11.845   2.345  -7.506  1.00  0.00           C  
HETATM    3  N   UNL     1      11.601   3.289  -6.571  1.00  0.00           N  
HETATM    4  C   UNL     1      10.542   2.946  -5.823  1.00  0.00           C  
HETATM    5  C   UNL     1       9.768   1.803  -5.940  1.00  0.00           C  
HETATM    6  C   UNL     1      10.120   0.905  -6.942  1.00  0.00           C  
HETATM    7  N   UNL     1       9.390  -0.281  -7.132  1.00  0.00           N  
HETATM    8  N   UNL     1       8.769   1.795  -4.999  1.00  0.00           N  
HETATM    9  C   UNL     1       8.933   2.912  -4.323  1.00  0.00           C  
HETATM   10  N   UNL     1       9.995   3.646  -4.784  1.00  0.00           N  
HETATM   11  C   UNL     1      10.449   4.933  -4.255  1.00  0.00           C  
HETATM   12  C   UNL     1       9.729   6.136  -4.866  1.00  0.00           C  
HETATM   13  O   UNL     1      10.676   7.172  -5.120  1.00  0.00           O  
HETATM   14  C   UNL     1       8.755   6.537  -3.774  1.00  0.00           C  
HETATM   15  O   UNL     1       8.398   7.902  -3.813  1.00  0.00           O  
HETATM   16  P   UNL     1       7.679   8.463  -5.144  1.00  0.00           P  
HETATM   17  O   UNL     1       8.480   8.330  -6.406  1.00  0.00           O  
HETATM   18  O   UNL     1       7.259   9.974  -4.749  1.00  0.00           O  
HETATM   19  O   UNL     1       6.269   7.672  -5.143  1.00  0.00           O  
HETATM   20  C   UNL     1       9.522   6.182  -2.512  1.00  0.00           C  
HETATM   21  O   UNL     1      10.229   4.971  -2.828  1.00  0.00           O  
HETATM   22  C   UNL     1       8.630   5.956  -1.305  1.00  0.00           C  
HETATM   23  O   UNL     1       7.905   7.144  -1.038  1.00  0.00           O  
HETATM   24  P   UNL     1       6.435   7.061  -0.365  1.00  0.00           P  
HETATM   25  O   UNL     1       5.767   8.385  -0.130  1.00  0.00           O  
HETATM   26  O   UNL     1       5.603   6.053  -1.317  1.00  0.00           O  
HETATM   27  O   UNL     1       6.699   6.193   0.973  1.00  0.00           O  
HETATM   28  P   UNL     1       7.563   6.522   2.299  1.00  0.00           P  
HETATM   29  O   UNL     1       9.023   6.773   2.059  1.00  0.00           O  
HETATM   30  O   UNL     1       6.761   7.753   2.975  1.00  0.00           O  
HETATM   31  O   UNL     1       7.200   5.250   3.225  1.00  0.00           O  
HETATM   32  C   UNL     1       5.671   3.723   4.382  1.00  0.00           C  
HETATM   33  C   UNL     1       5.827   4.972   3.480  1.00  0.00           C  
HETATM   34  C   UNL     1       6.403   3.980   5.721  1.00  0.00           C  
HETATM   35  C   UNL     1       4.181   3.497   4.705  1.00  0.00           C  
HETATM   36  C   UNL     1       6.294   2.463   3.710  1.00  0.00           C  
HETATM   37  O   UNL     1       6.129   1.334   4.563  1.00  0.00           O  
HETATM   38  C   UNL     1       5.664   2.090   2.370  1.00  0.00           C  
HETATM   39  O   UNL     1       4.666   1.376   2.290  1.00  0.00           O  
HETATM   40  N   UNL     1       6.322   2.659   1.291  1.00  0.00           N  
HETATM   41  C   UNL     1       5.897   2.473  -0.077  1.00  0.00           C  
HETATM   42  C   UNL     1       6.581   1.247  -0.667  1.00  0.00           C  
HETATM   43  C   UNL     1       6.189   1.003  -2.113  1.00  0.00           C  
HETATM   44  O   UNL     1       5.404   1.720  -2.727  1.00  0.00           O  
HETATM   45  N   UNL     1       6.824  -0.117  -2.631  1.00  0.00           N  
HETATM   46  C   UNL     1       6.624  -0.574  -3.987  1.00  0.00           C  
HETATM   47  C   UNL     1       5.475  -1.564  -4.118  1.00  0.00           C  
HETATM   48  S   UNL     1       5.756  -3.076  -3.148  1.00  0.00           S  
HETATM   49  O   UNL     1       3.454  -3.566  -4.342  1.00  0.00           O  
HETATM   50  C   UNL     1       4.318  -4.001  -3.590  1.00  0.00           C  
HETATM   51  C   UNL     1       3.538  -5.239  -1.578  1.00  0.00           C  
HETATM   52  C   UNL     1       4.241  -5.368  -2.925  1.00  0.00           C  
HETATM   53  C   UNL     1       3.504  -6.351  -3.833  1.00  0.00           C  
HETATM   54  H   UNL     1      12.688   2.539  -8.160  1.00  0.00           H  
HETATM   55  H   UNL     1       9.401  -0.986  -6.420  1.00  0.00           H  
HETATM   56  H   UNL     1       8.945  -0.449  -8.014  1.00  0.00           H  
HETATM   57  H   UNL     1       8.319   3.243  -3.495  1.00  0.00           H  
HETATM   58  H   UNL     1      11.529   4.953  -4.436  1.00  0.00           H  
HETATM   59  H   UNL     1       9.230   5.921  -5.816  1.00  0.00           H  
HETATM   60  H   UNL     1      10.176   7.959  -5.399  1.00  0.00           H  
HETATM   61  H   UNL     1       7.847   5.927  -3.850  1.00  0.00           H  
HETATM   62  H   UNL     1       6.854  10.548  -5.434  1.00  0.00           H  
HETATM   63  H   UNL     1       5.670   7.769  -5.914  1.00  0.00           H  
HETATM   64  H   UNL     1      10.259   6.956  -2.264  1.00  0.00           H  
HETATM   65  H   UNL     1       9.230   5.704  -0.426  1.00  0.00           H  
HETATM   66  H   UNL     1       7.920   5.146  -1.498  1.00  0.00           H  
HETATM   67  H   UNL     1       4.643   5.932  -1.155  1.00  0.00           H  
HETATM   68  H   UNL     1       6.867   8.653   2.599  1.00  0.00           H  
HETATM   69  H   UNL     1       5.396   5.858   3.959  1.00  0.00           H  
HETATM   70  H   UNL     1       5.330   4.827   2.516  1.00  0.00           H  
HETATM   71  H   UNL     1       6.360   3.095   6.367  1.00  0.00           H  
HETATM   72  H   UNL     1       5.952   4.811   6.275  1.00  0.00           H  
HETATM   73  H   UNL     1       7.458   4.227   5.561  1.00  0.00           H  
HETATM   74  H   UNL     1       3.770   4.317   5.305  1.00  0.00           H  
HETATM   75  H   UNL     1       4.037   2.573   5.275  1.00  0.00           H  
HETATM   76  H   UNL     1       3.576   3.433   3.794  1.00  0.00           H  
HETATM   77  H   UNL     1       7.373   2.609   3.574  1.00  0.00           H  
HETATM   78  H   UNL     1       5.218   1.024   4.437  1.00  0.00           H  
HETATM   79  H   UNL     1       7.124   3.259   1.456  1.00  0.00           H  
HETATM   80  H   UNL     1       4.808   2.355  -0.105  1.00  0.00           H  
HETATM   81  H   UNL     1       6.143   3.368  -0.658  1.00  0.00           H  
HETATM   82  H   UNL     1       6.324   0.355  -0.083  1.00  0.00           H  
HETATM   83  H   UNL     1       7.671   1.367  -0.620  1.00  0.00           H  
HETATM   84  H   UNL     1       7.456  -0.638  -2.031  1.00  0.00           H  
HETATM   85  H   UNL     1       6.407   0.316  -4.587  1.00  0.00           H  
HETATM   86  H   UNL     1       7.570  -0.995  -4.344  1.00  0.00           H  
HETATM   87  H   UNL     1       4.532  -1.114  -3.793  1.00  0.00           H  
HETATM   88  H   UNL     1       5.365  -1.860  -5.167  1.00  0.00           H  
HETATM   89  H   UNL     1       3.474  -6.211  -1.077  1.00  0.00           H  
HETATM   90  H   UNL     1       2.522  -4.847  -1.695  1.00  0.00           H  
HETATM   91  H   UNL     1       4.080  -4.554  -0.917  1.00  0.00           H  
HETATM   92  H   UNL     1       5.253  -5.760  -2.767  1.00  0.00           H  
HETATM   93  H   UNL     1       3.492  -7.353  -3.391  1.00  0.00           H  
HETATM   94  H   UNL     1       3.992  -6.417  -4.811  1.00  0.00           H  
HETATM   95  H   UNL     1       2.466  -6.043  -4.001  1.00  0.00           H  
CONECT    1    2    6    6                                            
CONECT    2    1    3    3   54                                       
CONECT    3    2    2    4                                            
CONECT    4    3    5    5   10                                       
CONECT    5    4    4    6    8                                       
CONECT    6    1    1    5    7                                       
CONECT    7    6   55   56                                            
CONECT    8    5    9    9                                            
CONECT    9    8    8   10   57                                       
CONECT   10    4    9   11                                            
CONECT   11   10   12   21   58                                       
CONECT   12   11   14   13   59                                       
CONECT   13   12   60                                                 
CONECT   14   12   20   15   61                                       
CONECT   15   14   16                                                 
CONECT   16   15   17   17   18                                       
CONECT   16   19                                                      
CONECT   17   16   16                                                 
CONECT   18   16   62                                                 
CONECT   19   16   63                                                 
CONECT   20   14   22   21   64                                       
CONECT   21   11   20                                                 
CONECT   22   20   23   65   66                                       
CONECT   23   22   24                                                 
CONECT   24   23   25   25   26                                       
CONECT   24   27                                                      
CONECT   25   24   24                                                 
CONECT   26   24   67                                                 
CONECT   27   24   28                                                 
CONECT   28   27   29   29   30                                       
CONECT   28   31                                                      
CONECT   29   28   28                                                 
CONECT   30   28   68                                                 
CONECT   31   28   33                                                 
CONECT   32   36   33   34   35                                       
CONECT   33   31   32   69   70                                       
CONECT   34   32   71   72   73                                       
CONECT   35   32   74   75   76                                       
CONECT   36   32   38   37   77                                       
CONECT   37   36   78                                                 
CONECT   38   36   39   39   40                                       
CONECT   39   38   38                                                 
CONECT   40   38   41   79                                            
CONECT   41   40   42   80   81                                       
CONECT   42   41   43   82   83                                       
CONECT   43   42   45   44   44                                       
CONECT   44   43   43                                                 
CONECT   45   43   46   84                                            
CONECT   46   45   47   85   86                                       
CONECT   47   46   48   87   88                                       
CONECT   48   47   50                                                 
CONECT   49   50   50                                                 
CONECT   50   48   49   49   52                                       
CONECT   51   52   89   90   91                                       
CONECT   52   50   51   53   92                                       
CONECT   53   52   93   94   95                                       
CONECT   54    2                                                      
CONECT   55    7                                                      
CONECT   56    7                                                      
CONECT   57    9                                                      
CONECT   58   11                                                      
CONECT   59   12                                                      
CONECT   60   13                                                      
CONECT   61   14                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   26                                                      
CONECT   68   30                                                      
CONECT   69   33                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   34                                                      
CONECT   73   34                                                      
CONECT   74   35                                                      
CONECT   75   35                                                      
CONECT   76   35                                                      
CONECT   77   36                                                      
CONECT   78   37                                                      
CONECT   79   40                                                      
CONECT   80   41                                                      
CONECT   81   41                                                      
CONECT   82   42                                                      
CONECT   83   42                                                      
CONECT   84   45                                                      
CONECT   85   46                                                      
CONECT   86   46                                                      
CONECT   87   47                                                      
CONECT   88   47                                                      
CONECT   89   51                                                      
CONECT   90   51                                                      
CONECT   91   51                                                      
CONECT   92   52                                                      
CONECT   93   53                                                      
CONECT   94   53                                                      
CONECT   95   53                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
