COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.432  -0.082  -0.332  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.431  -0.599   0.705  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.721  -1.555   1.666  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.688  -2.076   2.706  1.00  0.00           C  
HETATM    5  C   UNL     1       4.021   2.105   1.383  1.00  0.00           C  
HETATM    6  C   UNL     1       4.300   3.321   0.539  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.475  -3.919   1.982  1.00  0.00           C  
HETATM    8  C   UNL     1       1.408   1.156   0.412  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.013   1.413   0.522  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.386   2.894   0.613  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.339   3.632   1.450  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.627   5.135   1.416  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.399   3.135   2.896  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.116   0.659  -0.175  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.249  -2.823   0.917  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.149   0.851  -1.310  1.00  0.00           C  
HETATM   17  C   UNL     1       5.600   3.643   0.197  1.00  0.00           C  
HETATM   18  C   UNL     1       5.856   4.759  -0.577  1.00  0.00           C  
HETATM   19  C   UNL     1       4.811   5.553  -1.011  1.00  0.00           C  
HETATM   20  C   UNL     1       3.510   5.231  -0.671  1.00  0.00           C  
HETATM   21  C   UNL     1       3.254   4.113   0.100  1.00  0.00           C  
HETATM   22  N   UNL     1       0.232   1.269  -0.237  1.00  0.00           N  
HETATM   23  N   UNL     1      -3.359   0.650   0.345  1.00  0.00           N  
HETATM   24  N   UNL     1      -5.532  -3.402   2.858  1.00  0.00           N  
HETATM   25  O   UNL     1       1.429   1.106   1.626  1.00  0.00           O  
HETATM   26  O   UNL     1      -6.487  -1.396   3.314  1.00  0.00           O  
HETATM   27  O   UNL     1      -4.192   1.442  -2.192  1.00  0.00           O  
HETATM   28  O   UNL     1      -1.885   0.060  -1.204  1.00  0.00           O  
HETATM   29  O   UNL     1       2.559   1.100  -0.285  1.00  0.00           O  
HETATM   30  S   UNL     1      -6.357  -0.097  -2.276  1.00  0.00           S  
HETATM   31  H   UNL     1      -4.008  -0.925  -0.879  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.840   0.242   1.266  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.240  -1.126   0.199  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.876  -1.057   2.142  1.00  0.00           H  
HETATM   35  H   UNL     1       4.876   1.908   2.029  1.00  0.00           H  
HETATM   36  H   UNL     1       3.136   2.282   1.995  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.798  -4.846   1.507  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.561  -4.087   2.552  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.875   1.010   1.525  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.419   3.323  -0.388  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.364   2.994   1.084  1.00  0.00           H  
HETATM   42  H   UNL     1       0.653   3.443   1.041  1.00  0.00           H  
HETATM   43  H   UNL     1       0.119   5.661   2.012  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.584   5.489   0.386  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.619   5.324   1.825  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.360   3.405   3.334  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.284   2.051   2.912  1.00  0.00           H  
HETATM   48  H   UNL     1       0.405   3.594   3.471  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.862  -3.005   0.034  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.195  -2.749   0.650  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.663   1.635  -0.753  1.00  0.00           H  
HETATM   52  H   UNL     1       6.416   3.023   0.536  1.00  0.00           H  
HETATM   53  H   UNL     1       6.872   5.011  -0.843  1.00  0.00           H  
HETATM   54  H   UNL     1       5.010   6.425  -1.616  1.00  0.00           H  
HETATM   55  H   UNL     1       2.694   5.852  -1.010  1.00  0.00           H  
HETATM   56  H   UNL     1       2.238   3.859   0.363  1.00  0.00           H  
HETATM   57  H   UNL     1       0.210   1.254  -1.207  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.544   1.129   1.168  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.052  -3.948   3.469  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.514   1.965  -1.743  1.00  0.00           H  
HETATM   61  O   UNL     1      -5.786  -1.317  -2.728  1.00  0.00           O  
HETATM   62  O   UNL     1      -7.403  -0.527  -1.258  1.00  0.00           O  
HETATM   63  O   UNL     1      -7.063   0.756  -3.166  1.00  0.00           O  
HETATM   64  C   UNL     1       4.959   0.741  -0.488  1.00  0.00           C  
HETATM   65  C   UNL     1       4.698  -0.448  -1.419  1.00  0.00           C  
HETATM   66  N   UNL     1       4.424  -1.637  -0.602  1.00  0.00           N  
HETATM   67  C   UNL     1       3.369  -1.566   0.419  1.00  0.00           C  
HETATM   68  C   UNL     1       3.645  -0.365   1.329  1.00  0.00           C  
HETATM   69  C   UNL     1       3.780   0.898   0.474  1.00  0.00           C  
HETATM   70  H   UNL     1      -8.125  -1.050  -1.633  1.00  0.00           H  
HETATM   71  H   UNL     1       5.872   0.564   0.080  1.00  0.00           H  
HETATM   72  H   UNL     1       5.069   1.649  -1.081  1.00  0.00           H  
HETATM   73  H   UNL     1       3.837  -0.233  -2.053  1.00  0.00           H  
HETATM   74  H   UNL     1       5.576  -0.625  -2.040  1.00  0.00           H  
HETATM   75  H   UNL     1       2.400  -1.443  -0.065  1.00  0.00           H  
HETATM   76  H   UNL     1       3.371  -2.481   1.011  1.00  0.00           H  
HETATM   77  H   UNL     1       2.820  -0.243   2.030  1.00  0.00           H  
HETATM   78  H   UNL     1       4.570  -0.531   1.880  1.00  0.00           H  
HETATM   79  C   UNL     1       5.126  -2.773  -0.785  1.00  0.00           C  
HETATM   80  O   UNL     1       4.864  -3.856  -0.029  1.00  0.00           O  
HETATM   81  C   UNL     1       5.659  -5.044  -0.282  1.00  0.00           C  
HETATM   82  C   UNL     1       7.138  -4.727  -0.048  1.00  0.00           C  
HETATM   83  C   UNL     1       5.221  -6.162   0.667  1.00  0.00           C  
HETATM   84  C   UNL     1       5.457  -5.495  -1.729  1.00  0.00           C  
HETATM   85  O   UNL     1       5.995  -2.820  -1.633  1.00  0.00           O  
HETATM   86  H   UNL     1       7.282  -4.406   0.984  1.00  0.00           H  
HETATM   87  H   UNL     1       7.735  -5.619  -0.237  1.00  0.00           H  
HETATM   88  H   UNL     1       7.450  -3.931  -0.724  1.00  0.00           H  
HETATM   89  H   UNL     1       4.168  -6.388   0.501  1.00  0.00           H  
HETATM   90  H   UNL     1       5.818  -7.054   0.477  1.00  0.00           H  
HETATM   91  H   UNL     1       5.365  -5.841   1.698  1.00  0.00           H  
HETATM   92  H   UNL     1       5.769  -4.699  -2.405  1.00  0.00           H  
HETATM   93  H   UNL     1       6.054  -6.387  -1.919  1.00  0.00           H  
HETATM   94  H   UNL     1       4.404  -5.721  -1.896  1.00  0.00           H  
CONECT    1   23   16    2   31                                       
CONECT    2    1    3   32   33                                       
CONECT    3    2   15    4   34                                       
CONECT    4    3   26   26   24                                       
CONECT    5   69    6   35   36                                       
CONECT    6    5   17   17   21                                       
CONECT    7   15   24   37   38                                       
CONECT    8   22   29   25   25                                       
CONECT    9   10   22   14   39                                       
CONECT   10   11    9   40   41                                       
CONECT   11   12   13   10   42                                       
CONECT   12   11   43   44   45                                       
CONECT   13   11   46   47   48                                       
CONECT   14    9   28   28   23                                       
CONECT   15    3    7   49   50                                       
CONECT   16   30    1   27   51                                       
CONECT   17    6    6   18   52                                       
CONECT   18   17   19   19   53                                       
CONECT   19   18   18   20   54                                       
CONECT   20   21   21   19   55                                       
CONECT   21    6   20   20   56                                       
CONECT   22    9    8   57                                            
CONECT   23   14    1   58                                            
CONECT   24    4    7   59                                            
CONECT   25    8    8                                                 
CONECT   26    4    4                                                 
CONECT   27   16   60                                                 
CONECT   28   14   14                                                 
CONECT   29    8   69                                                 
CONECT   30   16   61   61   62                                       
CONECT   30   63   63                                                 
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   13                                                      
CONECT   48   13                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   27                                                      
CONECT   61   30   30                                                 
CONECT   62   30   70                                                 
CONECT   63   30   30                                                 
CONECT   64   69   65   71   72                                       
CONECT   65   64   66   73   74                                       
CONECT   66   65   67   79                                            
CONECT   67   66   68   75   76                                       
CONECT   68   67   69   77   78                                       
CONECT   69   29    5   64   68                                       
CONECT   70   62                                                      
CONECT   71   64                                                      
CONECT   72   64                                                      
CONECT   73   65                                                      
CONECT   74   65                                                      
CONECT   75   67                                                      
CONECT   76   67                                                      
CONECT   77   68                                                      
CONECT   78   68                                                      
CONECT   79   66   80   85   85                                       
CONECT   80   79   81                                                 
CONECT   81   80   82   83   84                                       
CONECT   82   81   86   87   88                                       
CONECT   83   81   89   90   91                                       
CONECT   84   81   92   93   94                                       
CONECT   85   79   79                                                 
CONECT   86   82                                                      
CONECT   87   82                                                      
CONECT   88   82                                                      
CONECT   89   83                                                      
CONECT   90   83                                                      
CONECT   91   83                                                      
CONECT   92   84                                                      
CONECT   93   84                                                      
CONECT   94   84                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
