COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.124  -3.844   1.108  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.300  -3.413   1.945  1.00  0.00           C  
HETATM    3  O   UNL     1      -4.138  -3.109   3.108  1.00  0.00           O  
HETATM    4  N   UNL     1      -5.533  -3.364   1.402  1.00  0.00           N  
HETATM    5  C   UNL     1      -6.676  -2.945   2.216  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.948  -2.978   1.365  1.00  0.00           C  
HETATM    7  S   UNL     1      -9.360  -2.459   2.370  1.00  0.00           S  
HETATM    8  C   UNL     1     -10.649  -2.587   1.176  1.00  0.00           C  
HETATM    9  O   UNL     1     -10.395  -2.951   0.043  1.00  0.00           O  
HETATM   10  C   UNL     1     -12.033  -2.253   1.548  1.00  0.00           C  
HETATM   11  C   UNL     1     -13.006  -2.349   0.647  1.00  0.00           C  
HETATM   12  C   UNL     1     -14.423  -2.008   1.028  1.00  0.00           C  
HETATM   13  C   UNL     1     -14.967  -0.947   0.069  1.00  0.00           C  
HETATM   14  C   UNL     1     -16.406  -0.600   0.457  1.00  0.00           C  
HETATM   15  C   UNL     1     -16.951   0.461  -0.502  1.00  0.00           C  
HETATM   16  C   UNL     1     -18.390   0.808  -0.115  1.00  0.00           C  
HETATM   17  C   UNL     1     -18.935   1.868  -1.073  1.00  0.00           C  
HETATM   18  C   UNL     1     -20.374   2.215  -0.686  1.00  0.00           C  
HETATM   19  C   UNL     1     -20.918   3.276  -1.644  1.00  0.00           C  
HETATM   20  C   UNL     1     -22.357   3.623  -1.257  1.00  0.00           C  
HETATM   21  C   UNL     1     -22.902   4.684  -2.216  1.00  0.00           C  
HETATM   22  C   UNL     1     -24.341   5.031  -1.828  1.00  0.00           C  
HETATM   23  C   UNL     1     -24.885   6.091  -2.787  1.00  0.00           C  
HETATM   24  C   UNL     1     -26.324   6.438  -2.400  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.853  -3.812   1.959  1.00  0.00           C  
HETATM   26  N   UNL     1      -0.710  -4.231   1.145  1.00  0.00           N  
HETATM   27  C   UNL     1       0.523  -4.279   1.688  1.00  0.00           C  
HETATM   28  O   UNL     1       0.701  -3.889   2.823  1.00  0.00           O  
HETATM   29  C   UNL     1       1.679  -4.819   0.887  1.00  0.00           C  
HETATM   30  O   UNL     1       1.194  -5.366  -0.341  1.00  0.00           O  
HETATM   31  C   UNL     1       2.664  -3.686   0.586  1.00  0.00           C  
HETATM   32  C   UNL     1       1.922  -2.532  -0.091  1.00  0.00           C  
HETATM   33  C   UNL     1       3.289  -3.194   1.893  1.00  0.00           C  
HETATM   34  C   UNL     1       3.764  -4.201  -0.344  1.00  0.00           C  
HETATM   35  O   UNL     1       4.683  -3.143  -0.625  1.00  0.00           O  
HETATM   36  P   UNL     1       5.970  -3.329  -1.574  1.00  0.00           P  
HETATM   37  O   UNL     1       6.792  -4.455  -1.077  1.00  0.00           O  
HETATM   38  O   UNL     1       5.488  -3.640  -3.078  1.00  0.00           O  
HETATM   39  O   UNL     1       6.847  -1.978  -1.560  1.00  0.00           O  
HETATM   40  P   UNL     1       8.346  -1.613  -2.021  1.00  0.00           P  
HETATM   41  O   UNL     1       9.259  -2.717  -1.650  1.00  0.00           O  
HETATM   42  O   UNL     1       8.380  -1.401  -3.616  1.00  0.00           O  
HETATM   43  O   UNL     1       8.817  -0.259  -1.289  1.00  0.00           O  
HETATM   44  C   UNL     1      10.138   0.272  -1.410  1.00  0.00           C  
HETATM   45  C   UNL     1      10.247   1.561  -0.592  1.00  0.00           C  
HETATM   46  C   UNL     1      11.699   2.086  -0.606  1.00  0.00           C  
HETATM   47  O   UNL     1      12.394   1.607  -1.759  1.00  0.00           O  
HETATM   48  P   UNL     1      13.721   0.700  -1.670  1.00  0.00           P  
HETATM   49  O   UNL     1      13.448  -0.494  -0.840  1.00  0.00           O  
HETATM   50  O   UNL     1      14.156   0.238  -3.150  1.00  0.00           O  
HETATM   51  O   UNL     1      14.912   1.555  -1.004  1.00  0.00           O  
HETATM   52  O   UNL     1       9.469   2.612  -1.204  1.00  0.00           O  
HETATM   53  C   UNL     1      10.014   3.843  -0.682  1.00  0.00           C  
HETATM   54  N   UNL     1       9.520   4.084   0.676  1.00  0.00           N  
HETATM   55  C   UNL     1       8.979   3.156   1.514  1.00  0.00           C  
HETATM   56  N   UNL     1       8.647   3.715   2.641  1.00  0.00           N  
HETATM   57  C   UNL     1       8.953   5.034   2.598  1.00  0.00           C  
HETATM   58  C   UNL     1       8.826   6.108   3.496  1.00  0.00           C  
HETATM   59  N   UNL     1       8.279   5.919   4.753  1.00  0.00           N  
HETATM   60  N   UNL     1       9.245   7.308   3.110  1.00  0.00           N  
HETATM   61  C   UNL     1       9.769   7.498   1.912  1.00  0.00           C  
HETATM   62  N   UNL     1       9.906   6.522   1.039  1.00  0.00           N  
HETATM   63  C   UNL     1       9.522   5.286   1.339  1.00  0.00           C  
HETATM   64  C   UNL     1      11.543   3.622  -0.666  1.00  0.00           C  
HETATM   65  O   UNL     1      12.125   4.230   0.488  1.00  0.00           O  
HETATM   66  H   UNL     1      -3.291  -4.858   0.742  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.012  -3.166   0.262  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.663  -3.607   0.472  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.788  -3.623   3.062  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.510  -1.932   2.581  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.836  -2.300   0.518  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.114  -3.991   0.999  1.00  0.00           H  
HETATM   73  H   UNL     1     -12.258  -1.930   2.554  1.00  0.00           H  
HETATM   74  H   UNL     1     -12.780  -2.672  -0.359  1.00  0.00           H  
HETATM   75  H   UNL     1     -15.041  -2.904   0.968  1.00  0.00           H  
HETATM   76  H   UNL     1     -14.442  -1.621   2.047  1.00  0.00           H  
HETATM   77  H   UNL     1     -14.349  -0.051   0.130  1.00  0.00           H  
HETATM   78  H   UNL     1     -14.949  -1.334  -0.949  1.00  0.00           H  
HETATM   79  H   UNL     1     -17.025  -1.496   0.397  1.00  0.00           H  
HETATM   80  H   UNL     1     -16.425  -0.213   1.476  1.00  0.00           H  
HETATM   81  H   UNL     1     -16.333   1.356  -0.442  1.00  0.00           H  
HETATM   82  H   UNL     1     -16.932   0.074  -1.521  1.00  0.00           H  
HETATM   83  H   UNL     1     -19.008  -0.088  -0.174  1.00  0.00           H  
HETATM   84  H   UNL     1     -18.409   1.194   0.904  1.00  0.00           H  
HETATM   85  H   UNL     1     -18.316   2.764  -1.013  1.00  0.00           H  
HETATM   86  H   UNL     1     -18.916   1.481  -2.092  1.00  0.00           H  
HETATM   87  H   UNL     1     -20.992   1.320  -0.746  1.00  0.00           H  
HETATM   88  H   UNL     1     -20.392   2.602   0.333  1.00  0.00           H  
HETATM   89  H   UNL     1     -20.300   4.172  -1.584  1.00  0.00           H  
HETATM   90  H   UNL     1     -20.899   2.889  -2.663  1.00  0.00           H  
HETATM   91  H   UNL     1     -22.975   2.727  -1.317  1.00  0.00           H  
HETATM   92  H   UNL     1     -22.376   4.010  -0.238  1.00  0.00           H  
HETATM   93  H   UNL     1     -22.283   5.579  -2.156  1.00  0.00           H  
HETATM   94  H   UNL     1     -22.883   4.297  -3.234  1.00  0.00           H  
HETATM   95  H   UNL     1     -24.959   4.135  -1.888  1.00  0.00           H  
HETATM   96  H   UNL     1     -24.359   5.418  -0.809  1.00  0.00           H  
HETATM   97  H   UNL     1     -24.267   6.987  -2.727  1.00  0.00           H  
HETATM   98  H   UNL     1     -24.866   5.705  -3.806  1.00  0.00           H  
HETATM   99  H   UNL     1      -1.687  -2.798   2.324  1.00  0.00           H  
HETATM  100  H   UNL     1      -1.965  -4.489   2.805  1.00  0.00           H  
HETATM  101  H   UNL     1      -0.839  -4.474   0.215  1.00  0.00           H  
HETATM  102  H   UNL     1       2.185  -5.598   1.457  1.00  0.00           H  
HETATM  103  H   UNL     1       0.732  -4.727  -0.901  1.00  0.00           H  
HETATM  104  H   UNL     1       1.138  -2.166   0.572  1.00  0.00           H  
HETATM  105  H   UNL     1       2.623  -1.725  -0.305  1.00  0.00           H  
HETATM  106  H   UNL     1       1.476  -2.882  -1.021  1.00  0.00           H  
HETATM  107  H   UNL     1       3.715  -4.040   2.433  1.00  0.00           H  
HETATM  108  H   UNL     1       4.075  -2.472   1.670  1.00  0.00           H  
HETATM  109  H   UNL     1       2.523  -2.720   2.507  1.00  0.00           H  
HETATM  110  H   UNL     1       4.292  -5.023   0.138  1.00  0.00           H  
HETATM  111  H   UNL     1       3.318  -4.551  -1.275  1.00  0.00           H  
HETATM  112  H   UNL     1       4.943  -2.943  -3.469  1.00  0.00           H  
HETATM  113  H   UNL     1       7.804  -0.691  -3.931  1.00  0.00           H  
HETATM  114  H   UNL     1      10.858  -0.456  -1.037  1.00  0.00           H  
HETATM  115  H   UNL     1      10.349   0.488  -2.457  1.00  0.00           H  
HETATM  116  H   UNL     1       9.915   1.389   0.432  1.00  0.00           H  
HETATM  117  H   UNL     1      12.221   1.788   0.304  1.00  0.00           H  
HETATM  118  H   UNL     1      14.950  -0.313  -3.172  1.00  0.00           H  
HETATM  119  H   UNL     1      15.144   2.355  -1.496  1.00  0.00           H  
HETATM  120  H   UNL     1       9.757   4.679  -1.333  1.00  0.00           H  
HETATM  121  H   UNL     1       8.846   2.111   1.278  1.00  0.00           H  
HETATM  122  H   UNL     1       7.977   5.038   5.023  1.00  0.00           H  
HETATM  123  H   UNL     1       8.197   6.668   5.363  1.00  0.00           H  
HETATM  124  H   UNL     1      10.096   8.490   1.639  1.00  0.00           H  
HETATM  125  H   UNL     1      11.996   4.016  -1.576  1.00  0.00           H  
HETATM  126  H   UNL     1      12.056   5.194   0.502  1.00  0.00           H  
HETATM  127  H   UNL     1     -26.942   5.543  -2.460  1.00  0.00           H  
HETATM  128  H   UNL     1     -26.343   6.825  -1.381  1.00  0.00           H  
HETATM  129  H   UNL     1     -26.712   7.194  -3.082  1.00  0.00           H  
CONECT    1    2   25   66   67                                       
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   68                                            
CONECT    5    4    6   69   70                                       
CONECT    6    5    7   71   72                                       
CONECT    7    6    8                                                 
CONECT    8    7    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   11   73                                       
CONECT   11   10   10   12   74                                       
CONECT   12   11   13   75   76                                       
CONECT   13   12   14   77   78                                       
CONECT   14   13   15   79   80                                       
CONECT   15   14   16   81   82                                       
CONECT   16   15   17   83   84                                       
CONECT   17   16   18   85   86                                       
CONECT   18   17   19   87   88                                       
CONECT   19   18   20   89   90                                       
CONECT   20   19   21   91   92                                       
CONECT   21   20   22   93   94                                       
CONECT   22   21   23   95   96                                       
CONECT   23   22   24   97   98                                       
CONECT   24   23  127  128  129                                       
CONECT   25    1   26   99  100                                       
CONECT   26   25   27  101                                            
CONECT   27   26   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   30   31  102                                       
CONECT   30   29  103                                                 
CONECT   31   29   32   33   34                                       
CONECT   32   31  104  105  106                                       
CONECT   33   31  107  108  109                                       
CONECT   34   31   35  110  111                                       
CONECT   35   34   36                                                 
CONECT   36   35   37   37   38                                       
CONECT   36   39                                                      
CONECT   37   36   36                                                 
CONECT   38   36  112                                                 
CONECT   39   36   40                                                 
CONECT   40   39   41   41   42                                       
CONECT   40   43                                                      
CONECT   41   40   40                                                 
CONECT   42   40  113                                                 
CONECT   43   40   44                                                 
CONECT   44   43   45  114  115                                       
CONECT   45   44   46   52  116                                       
CONECT   46   45   47   64  117                                       
CONECT   47   46   48                                                 
CONECT   48   47   49   49   50                                       
CONECT   48   51                                                      
CONECT   49   48   48                                                 
CONECT   50   48  118                                                 
CONECT   51   48  119                                                 
CONECT   52   45   53                                                 
CONECT   53   52   54   64  120                                       
CONECT   54   53   63   55                                            
CONECT   55   54   56   56  121                                       
CONECT   56   55   55   57                                            
CONECT   57   56   58   63   63                                       
CONECT   58   57   59   60   60                                       
CONECT   59   58  122  123                                            
CONECT   60   58   58   61                                            
CONECT   61   60   62   62  124                                       
CONECT   62   61   61   63                                            
CONECT   63   54   62   57   57                                       
CONECT   64   46   53   65  125                                       
CONECT   65   64  126                                                 
CONECT   66    1                                                      
CONECT   67    1                                                      
CONECT   68    4                                                      
CONECT   69    5                                                      
CONECT   70    5                                                      
CONECT   71    6                                                      
CONECT   72    6                                                      
CONECT   73   10                                                      
CONECT   74   11                                                      
CONECT   75   12                                                      
CONECT   76   12                                                      
CONECT   77   13                                                      
CONECT   78   13                                                      
CONECT   79   14                                                      
CONECT   80   14                                                      
CONECT   81   15                                                      
CONECT   82   15                                                      
CONECT   83   16                                                      
CONECT   84   16                                                      
CONECT   85   17                                                      
CONECT   86   17                                                      
CONECT   87   18                                                      
CONECT   88   18                                                      
CONECT   89   19                                                      
CONECT   90   19                                                      
CONECT   91   20                                                      
CONECT   92   20                                                      
CONECT   93   21                                                      
CONECT   94   21                                                      
CONECT   95   22                                                      
CONECT   96   22                                                      
CONECT   97   23                                                      
CONECT   98   23                                                      
CONECT   99   25                                                      
CONECT  100   25                                                      
CONECT  101   26                                                      
CONECT  102   29                                                      
CONECT  103   30                                                      
CONECT  104   32                                                      
CONECT  105   32                                                      
CONECT  106   32                                                      
CONECT  107   33                                                      
CONECT  108   33                                                      
CONECT  109   33                                                      
CONECT  110   34                                                      
CONECT  111   34                                                      
CONECT  112   38                                                      
CONECT  113   42                                                      
CONECT  114   44                                                      
CONECT  115   44                                                      
CONECT  116   45                                                      
CONECT  117   46                                                      
CONECT  118   50                                                      
CONECT  119   51                                                      
CONECT  120   53                                                      
CONECT  121   55                                                      
CONECT  122   59                                                      
CONECT  123   59                                                      
CONECT  124   61                                                      
CONECT  125   64                                                      
CONECT  126   65                                                      
CONECT  127   24                                                      
CONECT  128   24                                                      
CONECT  129   24                                                      
MASTER        0    0    0    0    0    0    0    0  129    0  129    0
END
