COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.680  -1.827   2.758  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.119  -0.882   2.198  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.677  -0.468   0.902  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.972   0.244  -0.062  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.605   0.713  -1.198  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.881   1.640  -2.142  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.719   3.021  -1.507  1.00  0.00           C  
HETATM    8  C   UNL     1       0.762   3.417  -1.491  1.00  0.00           C  
HETATM    9  C   UNL     1       0.950   4.752  -0.768  1.00  0.00           C  
HETATM   10  C   UNL     1       1.374   4.518   0.657  1.00  0.00           C  
HETATM   11  C   UNL     1       2.200   5.417   1.304  1.00  0.00           C  
HETATM   12  C   UNL     1       2.590   5.182   2.609  1.00  0.00           C  
HETATM   13  C   UNL     1       2.161   4.044   3.272  1.00  0.00           C  
HETATM   14  C   UNL     1       1.332   3.144   2.627  1.00  0.00           C  
HETATM   15  C   UNL     1       0.874   1.892   3.334  1.00  0.00           C  
HETATM   16  C   UNL     1       0.709   0.764   2.308  1.00  0.00           C  
HETATM   17  C   UNL     1       2.094   0.221   1.939  1.00  0.00           C  
HETATM   18  N   UNL     1       1.944  -0.938   1.048  1.00  0.00           N  
HETATM   19  C   UNL     1       3.252  -1.419   0.585  1.00  0.00           C  
HETATM   20  C   UNL     1       3.654  -0.665  -0.656  1.00  0.00           C  
HETATM   21  N   UNL     1       4.827  -0.940  -1.261  1.00  0.00           N  
HETATM   22  C   UNL     1       5.218  -0.206  -2.468  1.00  0.00           C  
HETATM   23  C   UNL     1       6.580  -0.708  -2.950  1.00  0.00           C  
HETATM   24  C   UNL     1       6.461  -2.170  -3.386  1.00  0.00           C  
HETATM   25  C   UNL     1       7.046   0.141  -4.135  1.00  0.00           C  
HETATM   26  O   UNL     1       2.923   0.189  -1.110  1.00  0.00           O  
HETATM   27  C   UNL     1       3.163  -2.913   0.268  1.00  0.00           C  
HETATM   28  O   UNL     1       4.411  -3.362  -0.264  1.00  0.00           O  
HETATM   29  C   UNL     1       2.846  -3.689   1.548  1.00  0.00           C  
HETATM   30  C   UNL     1       2.684  -5.174   1.218  1.00  0.00           C  
HETATM   31  C   UNL     1       2.367  -5.949   2.498  1.00  0.00           C  
HETATM   32  N   UNL     1      -0.107  -0.312   2.886  1.00  0.00           N  
HETATM   33  C   UNL     1       0.918   3.400   1.334  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.914   0.364  -1.454  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.611  -0.429  -0.555  1.00  0.00           C  
HETATM   36  N   UNL     1      -4.926  -0.809  -0.829  1.00  0.00           N  
HETATM   37  C   UNL     1      -5.476  -2.027  -0.229  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.014  -1.710   1.168  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.589  -2.982   1.794  1.00  0.00           C  
HETATM   40  S   UNL     1      -5.863   0.116  -1.832  1.00  0.00           S  
HETATM   41  O   UNL     1      -5.313   1.421  -1.721  1.00  0.00           O  
HETATM   42  C   UNL     1      -5.562  -0.563  -3.487  1.00  0.00           C  
HETATM   43  O   UNL     1      -7.195  -0.155  -1.416  1.00  0.00           O  
HETATM   44  C   UNL     1      -3.004  -0.832   0.621  1.00  0.00           C  
HETATM   45  H   UNL     1       0.086   0.434   0.040  1.00  0.00           H  
HETATM   46  H   UNL     1       0.100   1.230  -2.377  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.465   1.737  -3.060  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.288   3.757  -2.075  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.099   2.992  -0.484  1.00  0.00           H  
HETATM   50  H   UNL     1       1.331   2.646  -0.966  1.00  0.00           H  
HETATM   51  H   UNL     1       1.126   3.504  -2.515  1.00  0.00           H  
HETATM   52  H   UNL     1       1.716   5.337  -1.280  1.00  0.00           H  
HETATM   53  H   UNL     1       0.012   5.304  -0.783  1.00  0.00           H  
HETATM   54  H   UNL     1       2.539   6.304   0.791  1.00  0.00           H  
HETATM   55  H   UNL     1       3.224   5.894   3.116  1.00  0.00           H  
HETATM   56  H   UNL     1       2.474   3.862   4.288  1.00  0.00           H  
HETATM   57  H   UNL     1       1.623   1.605   4.070  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.076   2.082   3.830  1.00  0.00           H  
HETATM   59  H   UNL     1       0.221   1.180   1.432  1.00  0.00           H  
HETATM   60  H   UNL     1       2.666   0.997   1.431  1.00  0.00           H  
HETATM   61  H   UNL     1       2.618  -0.083   2.845  1.00  0.00           H  
HETATM   62  H   UNL     1       1.426  -1.677   1.500  1.00  0.00           H  
HETATM   63  H   UNL     1       3.996  -1.257   1.366  1.00  0.00           H  
HETATM   64  H   UNL     1       5.412  -1.623  -0.898  1.00  0.00           H  
HETATM   65  H   UNL     1       4.474  -0.368  -3.248  1.00  0.00           H  
HETATM   66  H   UNL     1       5.281   0.858  -2.242  1.00  0.00           H  
HETATM   67  H   UNL     1       7.305  -0.628  -2.139  1.00  0.00           H  
HETATM   68  H   UNL     1       7.432  -2.526  -3.729  1.00  0.00           H  
HETATM   69  H   UNL     1       6.130  -2.774  -2.542  1.00  0.00           H  
HETATM   70  H   UNL     1       5.737  -2.249  -4.196  1.00  0.00           H  
HETATM   71  H   UNL     1       7.130   1.183  -3.825  1.00  0.00           H  
HETATM   72  H   UNL     1       8.017  -0.216  -4.479  1.00  0.00           H  
HETATM   73  H   UNL     1       6.321   0.061  -4.946  1.00  0.00           H  
HETATM   74  H   UNL     1       2.374  -3.083  -0.465  1.00  0.00           H  
HETATM   75  H   UNL     1       5.160  -3.242   0.335  1.00  0.00           H  
HETATM   76  H   UNL     1       3.661  -3.561   2.261  1.00  0.00           H  
HETATM   77  H   UNL     1       1.921  -3.310   1.982  1.00  0.00           H  
HETATM   78  H   UNL     1       1.870  -5.301   0.505  1.00  0.00           H  
HETATM   79  H   UNL     1       3.610  -5.552   0.784  1.00  0.00           H  
HETATM   80  H   UNL     1       2.252  -7.007   2.263  1.00  0.00           H  
HETATM   81  H   UNL     1       3.182  -5.822   3.211  1.00  0.00           H  
HETATM   82  H   UNL     1       1.442  -5.571   2.932  1.00  0.00           H  
HETATM   83  H   UNL     1       0.088  -0.628   3.799  1.00  0.00           H  
HETATM   84  H   UNL     1       0.211   2.748   0.844  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.394   0.701  -2.366  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.286  -2.406  -0.853  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.693  -2.781  -0.154  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.204  -1.331   1.792  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.797  -0.956   1.093  1.00  0.00           H  
HETATM   90  H   UNL     1      -7.398  -3.360   1.171  1.00  0.00           H  
HETATM   91  H   UNL     1      -5.805  -3.736   1.870  1.00  0.00           H  
HETATM   92  H   UNL     1      -6.972  -2.755   2.789  1.00  0.00           H  
HETATM   93  H   UNL     1      -5.991  -1.563  -3.553  1.00  0.00           H  
HETATM   94  H   UNL     1      -6.026   0.081  -4.234  1.00  0.00           H  
HETATM   95  H   UNL     1      -4.489  -0.615  -3.669  1.00  0.00           H  
HETATM   96  H   UNL     1      -3.547  -1.437   1.337  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3   32    1    1                                       
CONECT    3    4    4   44    2                                       
CONECT    4    5    3    3   45                                       
CONECT    5    6   34   34    4                                       
CONECT    6    7    5   46   47                                       
CONECT    7    8    6   48   49                                       
CONECT    8    7    9   50   51                                       
CONECT    9    8   10   52   53                                       
CONECT   10    9   33   33   11                                       
CONECT   11   10   12   12   54                                       
CONECT   12   11   11   13   55                                       
CONECT   13   14   14   12   56                                       
CONECT   14   33   15   13   13                                       
CONECT   15   14   16   57   58                                       
CONECT   16   32   15   17   59                                       
CONECT   17   16   18   60   61                                       
CONECT   18   17   19   62                                            
CONECT   19   18   27   20   63                                       
CONECT   20   19   26   26   21                                       
CONECT   21   20   22   64                                            
CONECT   22   21   23   65   66                                       
CONECT   23   22   25   24   67                                       
CONECT   24   23   68   69   70                                       
CONECT   25   23   71   72   73                                       
CONECT   26   20   20                                                 
CONECT   27   28   19   29   74                                       
CONECT   28   27   75                                                 
CONECT   29   27   30   76   77                                       
CONECT   30   29   31   78   79                                       
CONECT   31   30   80   81   82                                       
CONECT   32    2   16   83                                            
CONECT   33   10   10   14   84                                       
CONECT   34    5    5   35   85                                       
CONECT   35   34   36   44   44                                       
CONECT   36   40   35   37                                            
CONECT   37   36   38   86   87                                       
CONECT   38   39   37   88   89                                       
CONECT   39   38   90   91   92                                       
CONECT   40   41   41   43   43                                       
CONECT   40   42   36                                                 
CONECT   41   40   40                                                 
CONECT   42   40   93   94   95                                       
CONECT   43   40   40                                                 
CONECT   44   35   35    3   96                                       
CONECT   45    4                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53    9                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   24                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   25                                                      
CONECT   73   25                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   30                                                      
CONECT   80   31                                                      
CONECT   81   31                                                      
CONECT   82   31                                                      
CONECT   83   32                                                      
CONECT   84   33                                                      
CONECT   85   34                                                      
CONECT   86   37                                                      
CONECT   87   37                                                      
CONECT   88   38                                                      
CONECT   89   38                                                      
CONECT   90   39                                                      
CONECT   91   39                                                      
CONECT   92   39                                                      
CONECT   93   42                                                      
CONECT   94   42                                                      
CONECT   95   42                                                      
CONECT   96   44                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
