COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.522  -3.173  -1.528  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.986  -3.628  -1.489  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.010  -4.596   0.514  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.497  -6.982   0.620  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.718   2.592   0.023  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.269   3.703  -0.662  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.066   4.903   0.017  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.586   6.098  -0.713  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.319   4.974   1.387  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.767   3.857   2.062  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.966   2.668   1.382  1.00  0.00           C  
HETATM   12  C   UNL     1       1.360   1.006   0.618  1.00  0.00           C  
HETATM   13  C   UNL     1       0.871   0.646   1.860  1.00  0.00           C  
HETATM   14  C   UNL     1       1.575  -0.238   2.657  1.00  0.00           C  
HETATM   15  C   UNL     1       2.773  -0.765   2.217  1.00  0.00           C  
HETATM   16  C   UNL     1       3.271  -0.405   0.966  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.409  -1.883  -0.833  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.872  -0.814  -1.454  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.563  -0.885  -2.625  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.656   0.469  -0.694  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.943   1.295  -0.711  1.00  0.00           C  
HETATM   22  C   UNL     1       4.556  -0.968   0.487  1.00  0.00           C  
HETATM   23  C   UNL     1       4.640  -1.539  -0.781  1.00  0.00           C  
HETATM   24  C   UNL     1       5.836  -2.062  -1.224  1.00  0.00           C  
HETATM   25  C   UNL     1       6.961  -2.021  -0.410  1.00  0.00           C  
HETATM   26  C   UNL     1       8.143  -3.107  -2.163  1.00  0.00           C  
HETATM   27  C   UNL     1       6.886  -1.455   0.854  1.00  0.00           C  
HETATM   28  C   UNL     1       5.690  -0.922   1.305  1.00  0.00           C  
HETATM   29  C   UNL     1       2.553   0.481   0.164  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.358  -2.232   0.593  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.894  -1.778   0.550  1.00  0.00           C  
HETATM   32  N   UNL     1      -4.473  -3.527  -0.106  1.00  0.00           N  
HETATM   33  N   UNL     1      -5.016  -5.798  -0.097  1.00  0.00           N  
HETATM   34  N   UNL     1      -1.351   6.030  -1.992  1.00  0.00           N  
HETATM   35  N   UNL     1      -1.386   7.283  -0.039  1.00  0.00           N  
HETATM   36  N   UNL     1      -0.577   1.234  -1.324  1.00  0.00           N  
HETATM   37  O   UNL     1      -5.490  -4.477   1.625  1.00  0.00           O  
HETATM   38  O   UNL     1       8.137  -2.539  -0.852  1.00  0.00           O  
HETATM   39  O   UNL     1       5.617  -0.362   2.540  1.00  0.00           O  
HETATM   40  O   UNL     1      -0.359   2.894   0.489  1.00  0.00           O  
HETATM   41  O   UNL     1       1.395   2.717  -1.283  1.00  0.00           O  
HETATM   42  S   UNL     1       0.456   2.132  -0.391  1.00  0.00           S  
HETATM   43  H   UNL     1      -1.895  -3.913  -1.029  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.201  -3.060  -2.563  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.585  -2.988  -2.136  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.056  -4.661  -1.830  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.887  -7.141   1.509  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.536  -6.831   0.914  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.426  -7.853  -0.031  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.075   3.642  -1.723  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.163   5.901   1.919  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.963   3.910   3.122  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.317   1.796   1.914  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.066   1.056   2.209  1.00  0.00           H  
HETATM   55  H   UNL     1       1.188  -0.516   3.627  1.00  0.00           H  
HETATM   56  H   UNL     1       3.323  -1.454   2.841  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.385   0.240   0.336  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.741   0.735  -0.222  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.227   1.506  -1.742  1.00  0.00           H  
HETATM   60  H   UNL     1       3.767  -1.573  -1.417  1.00  0.00           H  
HETATM   61  H   UNL     1       5.899  -2.505  -2.207  1.00  0.00           H  
HETATM   62  H   UNL     1       9.141  -3.483  -2.391  1.00  0.00           H  
HETATM   63  H   UNL     1       7.427  -3.928  -2.206  1.00  0.00           H  
HETATM   64  H   UNL     1       7.866  -2.345  -2.891  1.00  0.00           H  
HETATM   65  H   UNL     1       7.762  -1.425   1.485  1.00  0.00           H  
HETATM   66  H   UNL     1       2.933   0.761  -0.808  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.675  -2.346   1.629  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.984  -1.491   0.095  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.293  -2.420   1.196  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.821  -0.745   0.888  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.701  -5.879  -1.011  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.036   6.813  -2.470  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.561   7.335   0.914  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.071   8.066  -0.517  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.467   1.214  -2.288  1.00  0.00           H  
HETATM   76  H   UNL     1       5.380  -0.984   3.241  1.00  0.00           H  
CONECT    1    2   17   43   44                                       
CONECT    2   32    1   45   46                                       
CONECT    3   37   37   33   32                                       
CONECT    4   33   47   48   49                                       
CONECT    5   21   11   11    6                                       
CONECT    6    5    7    7   50                                       
CONECT    7    6    6    9    8                                       
CONECT    8    7   34   34   35                                       
CONECT    9   10   10    7   51                                       
CONECT   10   11    9    9   52                                       
CONECT   11    5    5   10   53                                       
CONECT   12   13   42   29   29                                       
CONECT   13   14   14   12   54                                       
CONECT   14   13   13   15   55                                       
CONECT   15   14   16   16   56                                       
CONECT   16   15   15   29   22                                       
CONECT   17   31    1   18                                            
CONECT   18   17   20   19   19                                       
CONECT   19   18   18                                                 
CONECT   20   21   18   36   57                                       
CONECT   21   20    5   58   59                                       
CONECT   22   16   28   28   23                                       
CONECT   23   22   24   24   60                                       
CONECT   24   23   23   25   61                                       
CONECT   25   27   27   24   38                                       
CONECT   26   38   62   63   64                                       
CONECT   27   28   25   25   65                                       
CONECT   28   39   22   22   27                                       
CONECT   29   12   12   16   66                                       
CONECT   30   32   31   67   68                                       
CONECT   31   30   17   69   70                                       
CONECT   32    3   30    2                                            
CONECT   33    3    4   71                                            
CONECT   34    8    8   72                                            
CONECT   35    8   73   74                                            
CONECT   36   20   42   75                                            
CONECT   37    3    3                                                 
CONECT   38   25   26                                                 
CONECT   39   28   76                                                 
CONECT   40   42   42                                                 
CONECT   41   42   42                                                 
CONECT   42   41   41   12   36                                       
CONECT   42   40   40                                                 
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    2                                                      
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    4                                                      
CONECT   50    6                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   26                                                      
CONECT   63   26                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   30                                                      
CONECT   69   31                                                      
CONECT   70   31                                                      
CONECT   71   33                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   35                                                      
CONECT   75   36                                                      
CONECT   76   39                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
