COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.579  -0.956   6.456  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.081  -0.398   5.123  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.294  -1.011   3.993  1.00  0.00           C  
HETATM    4  O   UNL     1      -1.635  -2.012   4.174  1.00  0.00           O  
HETATM    5  C   UNL     1      -1.903   0.160   7.254  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.403   0.167   6.952  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.335  -0.422   2.764  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.542  -1.076   1.703  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.483  -1.712   0.678  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.363  -2.754   1.371  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.368  -0.629   0.058  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.682  -0.039   1.027  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.198   0.889   0.444  1.00  0.00           O  
HETATM   14  N   UNL     1       0.658  -0.146   1.071  1.00  0.00           N  
HETATM   15  C   UNL     1       1.497   0.848   0.398  1.00  0.00           C  
HETATM   16  C   UNL     1       2.783   1.056   1.202  1.00  0.00           C  
HETATM   17  C   UNL     1       2.439   1.210   2.662  1.00  0.00           C  
HETATM   18  C   UNL     1       1.511   2.157   3.055  1.00  0.00           C  
HETATM   19  C   UNL     1       1.193   2.301   4.391  1.00  0.00           C  
HETATM   20  C   UNL     1       3.049   0.404   3.605  1.00  0.00           C  
HETATM   21  C   UNL     1       2.735   0.544   4.942  1.00  0.00           C  
HETATM   22  C   UNL     1       1.805   1.494   5.340  1.00  0.00           C  
HETATM   23  O   UNL     1       1.494   1.634   6.655  1.00  0.00           O  
HETATM   24  C   UNL     1       0.068   1.608   6.747  1.00  0.00           C  
HETATM   25  C   UNL     1       1.848   0.353  -1.005  1.00  0.00           C  
HETATM   26  O   UNL     1       2.668   1.322  -1.661  1.00  0.00           O  
HETATM   27  C   UNL     1       0.563   0.144  -1.809  1.00  0.00           C  
HETATM   28  N   UNL     1       0.899  -0.329  -3.154  1.00  0.00           N  
HETATM   29  C   UNL     1       1.007  -1.766  -3.418  1.00  0.00           C  
HETATM   30  C   UNL     1       2.099  -2.367  -2.531  1.00  0.00           C  
HETATM   31  C   UNL     1       2.211  -3.868  -2.807  1.00  0.00           C  
HETATM   32  C   UNL     1       3.303  -4.470  -1.919  1.00  0.00           C  
HETATM   33  C   UNL     1       0.874  -4.545  -2.500  1.00  0.00           C  
HETATM   34  S   UNL     1       1.157   0.759  -4.375  1.00  0.00           S  
HETATM   35  O   UNL     1       1.508   1.979  -3.736  1.00  0.00           O  
HETATM   36  O   UNL     1       1.949   0.077  -5.338  1.00  0.00           O  
HETATM   37  C   UNL     1      -0.394   1.054  -5.154  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.212   2.072  -4.699  1.00  0.00           C  
HETATM   39  C   UNL     1      -0.790   0.271  -6.223  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.429   2.307  -5.307  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.008   0.496  -6.832  1.00  0.00           C  
HETATM   42  C   UNL     1      -2.832   1.518  -6.377  1.00  0.00           C  
HETATM   43  N   UNL     1      -4.062   1.753  -6.995  1.00  0.00           N  
HETATM   44  H   UNL     1      -1.860  -1.754   6.268  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.420  -1.352   7.025  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.137  -0.640   5.003  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.953   0.683   5.110  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.058  -0.009   8.319  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.335   1.120   6.972  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.211  -0.410   6.048  1.00  0.00           H  
HETATM   51  H   UNL     1       0.137  -0.276   7.788  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.854   0.379   2.596  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.908  -1.846   2.143  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.897  -2.194  -0.103  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.034  -3.207   0.641  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.732  -3.526   1.813  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.949  -2.272   2.154  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.955  -0.147   0.840  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.742   0.113  -0.435  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.039  -1.082  -0.671  1.00  0.00           H  
HETATM   61  H   UNL     1       1.069  -0.882   1.549  1.00  0.00           H  
HETATM   62  H   UNL     1       0.957   1.791   0.326  1.00  0.00           H  
HETATM   63  H   UNL     1       3.437   0.194   1.072  1.00  0.00           H  
HETATM   64  H   UNL     1       3.290   1.954   0.851  1.00  0.00           H  
HETATM   65  H   UNL     1       1.036   2.785   2.316  1.00  0.00           H  
HETATM   66  H   UNL     1       0.469   3.041   4.698  1.00  0.00           H  
HETATM   67  H   UNL     1       3.773  -0.335   3.295  1.00  0.00           H  
HETATM   68  H   UNL     1       3.212  -0.085   5.679  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.252   2.219   7.590  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.362   2.003   5.827  1.00  0.00           H  
HETATM   71  H   UNL     1       2.389  -0.590  -0.933  1.00  0.00           H  
HETATM   72  H   UNL     1       2.154   2.140  -1.704  1.00  0.00           H  
HETATM   73  H   UNL     1       0.023   1.088  -1.881  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.061  -0.595  -1.309  1.00  0.00           H  
HETATM   75  H   UNL     1       1.262  -1.924  -4.466  1.00  0.00           H  
HETATM   76  H   UNL     1       0.054  -2.248  -3.200  1.00  0.00           H  
HETATM   77  H   UNL     1       1.843  -2.209  -1.483  1.00  0.00           H  
HETATM   78  H   UNL     1       3.051  -1.885  -2.749  1.00  0.00           H  
HETATM   79  H   UNL     1       2.467  -4.026  -3.855  1.00  0.00           H  
HETATM   80  H   UNL     1       3.383  -5.539  -2.116  1.00  0.00           H  
HETATM   81  H   UNL     1       4.255  -3.987  -2.138  1.00  0.00           H  
HETATM   82  H   UNL     1       3.047  -4.311  -0.872  1.00  0.00           H  
HETATM   83  H   UNL     1       0.618  -4.386  -1.452  1.00  0.00           H  
HETATM   84  H   UNL     1       0.096  -4.116  -3.132  1.00  0.00           H  
HETATM   85  H   UNL     1       0.954  -5.614  -2.697  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.898   2.685  -3.866  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.149  -0.522  -6.576  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.067   3.102  -4.951  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.319  -0.118  -7.664  1.00  0.00           H  
HETATM   90  H   UNL     1      -4.343   1.202  -7.743  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.637   2.467  -6.677  1.00  0.00           H  
CONECT    1    2    5   44   45                                       
CONECT    2    1    3   46   47                                       
CONECT    3    2    4    4    7                                       
CONECT    4    3    3                                                 
CONECT    5    1    6   48   49                                       
CONECT    6    5   24   50   51                                       
CONECT    7    3    8   52                                            
CONECT    8    7    9   12   53                                       
CONECT    9    8   10   11   54                                       
CONECT   10    9   55   56   57                                       
CONECT   11    9   58   59   60                                       
CONECT   12    8   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   61                                            
CONECT   15   14   16   25   62                                       
CONECT   16   15   17   63   64                                       
CONECT   17   16   18   18   20                                       
CONECT   18   17   17   19   65                                       
CONECT   19   18   22   22   66                                       
CONECT   20   17   21   21   67                                       
CONECT   21   20   20   22   68                                       
CONECT   22   19   19   21   23                                       
CONECT   23   22   24                                                 
CONECT   24    6   23   69   70                                       
CONECT   25   15   26   27   71                                       
CONECT   26   25   72                                                 
CONECT   27   25   28   73   74                                       
CONECT   28   27   29   34                                            
CONECT   29   28   30   75   76                                       
CONECT   30   29   31   77   78                                       
CONECT   31   30   32   33   79                                       
CONECT   32   31   80   81   82                                       
CONECT   33   31   83   84   85                                       
CONECT   34   28   35   35   36                                       
CONECT   34   36   37                                                 
CONECT   35   34   34                                                 
CONECT   36   34   34                                                 
CONECT   37   34   38   38   39                                       
CONECT   38   37   37   40   86                                       
CONECT   39   37   41   41   87                                       
CONECT   40   38   42   42   88                                       
CONECT   41   39   39   42   89                                       
CONECT   42   40   40   41   43                                       
CONECT   43   42   90   91                                            
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    2                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   10                                                      
CONECT   57   10                                                      
CONECT   58   11                                                      
CONECT   59   11                                                      
CONECT   60   11                                                      
CONECT   61   14                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   16                                                      
CONECT   65   18                                                      
CONECT   66   19                                                      
CONECT   67   20                                                      
CONECT   68   21                                                      
CONECT   69   24                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   27                                                      
CONECT   75   29                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   32                                                      
CONECT   81   32                                                      
CONECT   82   32                                                      
CONECT   83   33                                                      
CONECT   84   33                                                      
CONECT   85   33                                                      
CONECT   86   38                                                      
CONECT   87   39                                                      
CONECT   88   40                                                      
CONECT   89   41                                                      
CONECT   90   43                                                      
CONECT   91   43                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
