COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.339   4.097  -1.513  1.00  0.00           C  
HETATM    2  C   UNL     1       1.363   2.025   0.198  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.179   0.268  -0.109  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.836   0.201  -1.936  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.274  -1.665  -0.431  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.339  -2.887  -0.551  1.00  0.00           C  
HETATM    7  C   UNL     1       4.046  -3.149   0.058  1.00  0.00           C  
HETATM    8  C   UNL     1       4.535  -2.388  -0.987  1.00  0.00           C  
HETATM    9  C   UNL     1       4.516  -1.008  -0.905  1.00  0.00           C  
HETATM   10  C   UNL     1       4.008  -0.389   0.221  1.00  0.00           C  
HETATM   11  C   UNL     1       3.519  -1.151   1.267  1.00  0.00           C  
HETATM   12  C   UNL     1       3.537  -2.530   1.185  1.00  0.00           C  
HETATM   13  C   UNL     1       2.743   2.218  -1.923  1.00  0.00           C  
HETATM   14  C   UNL     1       2.970   3.723  -2.086  1.00  0.00           C  
HETATM   15  C   UNL     1       1.877   4.488  -1.337  1.00  0.00           C  
HETATM   16  C   UNL     1       0.447   0.864  -0.193  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.943   1.087   0.406  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.431  -0.379  -0.563  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.110  -1.702  -1.742  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.744  -3.545  -1.888  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.854   1.036   1.933  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.197   1.377   2.526  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.116   0.375   2.777  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.348   0.688   3.321  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.661   2.002   3.614  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.742   3.004   3.363  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.508   2.691   2.824  1.00  0.00           C  
HETATM   28  C   UNL     1       5.255  -5.200   0.752  1.00  0.00           C  
HETATM   29  C   UNL     1       0.519   4.192  -1.976  1.00  0.00           C  
HETATM   30  C   UNL     1       5.440   3.476  -2.375  1.00  0.00           C  
HETATM   31  C   UNL     1       4.061  -4.653  -0.033  1.00  0.00           C  
HETATM   32  N   UNL     1       2.645   1.891  -0.498  1.00  0.00           N  
HETATM   33  N   UNL     1      -1.852   0.039  -0.065  1.00  0.00           N  
HETATM   34  O   UNL     1       3.763   1.687   1.693  1.00  0.00           O  
HETATM   35  O   UNL     1       5.111   1.830  -0.407  1.00  0.00           O  
HETATM   36  O   UNL     1       0.990  -0.360   0.306  1.00  0.00           O  
HETATM   37  O   UNL     1      -3.622   1.343   0.242  1.00  0.00           O  
HETATM   38  O   UNL     1      -4.015  -0.695  -0.542  1.00  0.00           O  
HETATM   39  O   UNL     1      -7.155  -0.330  -2.186  1.00  0.00           O  
HETATM   40  O   UNL     1      -6.312  -2.471  -2.665  1.00  0.00           O  
HETATM   41  O   UNL     1       2.850  -5.176   0.516  1.00  0.00           O  
HETATM   42  O   UNL     1       5.337  -6.615   0.570  1.00  0.00           O  
HETATM   43  S   UNL     1       3.984   1.369   0.326  1.00  0.00           S  
HETATM   44  H   UNL     1       4.447   5.181  -1.510  1.00  0.00           H  
HETATM   45  H   UNL     1       4.421   3.721  -0.493  1.00  0.00           H  
HETATM   46  H   UNL     1       0.894   2.968  -0.083  1.00  0.00           H  
HETATM   47  H   UNL     1       1.531   2.009   1.275  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.866   1.289  -1.895  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.141  -0.131  -2.707  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.881  -1.683   0.474  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.297  -2.568  -0.583  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.501  -3.574   0.280  1.00  0.00           H  
HETATM   53  H   UNL     1       4.933  -2.872  -1.867  1.00  0.00           H  
HETATM   54  H   UNL     1       4.899  -0.414  -1.722  1.00  0.00           H  
HETATM   55  H   UNL     1       3.122  -0.667   2.147  1.00  0.00           H  
HETATM   56  H   UNL     1       3.155  -3.125   2.002  1.00  0.00           H  
HETATM   57  H   UNL     1       1.819   1.934  -2.425  1.00  0.00           H  
HETATM   58  H   UNL     1       3.579   1.675  -2.364  1.00  0.00           H  
HETATM   59  H   UNL     1       2.936   3.983  -3.144  1.00  0.00           H  
HETATM   60  H   UNL     1       1.864   4.173  -0.293  1.00  0.00           H  
HETATM   61  H   UNL     1       2.080   5.557  -1.392  1.00  0.00           H  
HETATM   62  H   UNL     1       0.370   0.811  -1.279  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.320   2.061   0.096  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.678   0.322   0.234  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.104  -2.125  -1.595  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.865  -3.952  -2.388  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.485  -4.328  -1.723  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.562   0.034   2.247  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.112   1.756   2.278  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.872  -0.652   2.548  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.066  -0.095   3.516  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.623   2.246   4.038  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.986   4.030   3.592  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.788   3.473   2.632  1.00  0.00           H  
HETATM   75  H   UNL     1       6.172  -4.733   0.392  1.00  0.00           H  
HETATM   76  H   UNL     1       5.126  -4.977   1.811  1.00  0.00           H  
HETATM   77  H   UNL     1       0.287   3.133  -1.863  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.251   4.788  -1.485  1.00  0.00           H  
HETATM   79  H   UNL     1       0.553   4.445  -3.036  1.00  0.00           H  
HETATM   80  H   UNL     1       5.342   2.391  -2.364  1.00  0.00           H  
HETATM   81  H   UNL     1       5.347   3.839  -3.399  1.00  0.00           H  
HETATM   82  H   UNL     1       6.415   3.757  -1.977  1.00  0.00           H  
HETATM   83  H   UNL     1       4.146  -4.953  -1.078  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.498  -0.820  -0.345  1.00  0.00           H  
HETATM   85  H   UNL     1       1.014  -0.416   1.271  1.00  0.00           H  
HETATM   86  H   UNL     1       2.709  -4.948   1.445  1.00  0.00           H  
HETATM   87  H   UNL     1       6.073  -7.030   1.041  1.00  0.00           H  
CONECT    1   14   30   44   45                                       
CONECT    2   16   32   46   47                                       
CONECT    3   33   38   37   37                                       
CONECT    4   39   18   48   49                                       
CONECT    5   18   19    6   50                                       
CONECT    6   20    5   51   52                                       
CONECT    7   31   12   12    8                                       
CONECT    8    7    9    9   53                                       
CONECT    9    8    8   10   54                                       
CONECT   10   11   11    9   43                                       
CONECT   11   12   10   10   55                                       
CONECT   12    7    7   11   56                                       
CONECT   13   14   32   57   58                                       
CONECT   14   15   13    1   59                                       
CONECT   15   29   14   60   61                                       
CONECT   16   36    2   17   62                                       
CONECT   17   16   21   33   63                                       
CONECT   18   38    4    5   64                                       
CONECT   19   39   40    5   65                                       
CONECT   20   40    6   66   67                                       
CONECT   21   17   22   68   69                                       
CONECT   22   21   23   23   27                                       
CONECT   23   22   22   24   70                                       
CONECT   24   23   25   25   71                                       
CONECT   25   24   24   26   72                                       
CONECT   26   27   27   25   73                                       
CONECT   27   22   26   26   74                                       
CONECT   28   31   42   75   76                                       
CONECT   29   15   77   78   79                                       
CONECT   30    1   80   81   82                                       
CONECT   31   41   28    7   83                                       
CONECT   32   13    2   43                                            
CONECT   33   17    3   84                                            
CONECT   34   43   43                                                 
CONECT   35   43   43                                                 
CONECT   36   16   85                                                 
CONECT   37    3    3                                                 
CONECT   38    3   18                                                 
CONECT   39    4   19                                                 
CONECT   40   20   19                                                 
CONECT   41   31   86                                                 
CONECT   42   28   87                                                 
CONECT   43   10   32   34   34                                       
CONECT   43   35   35                                                 
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    2                                                      
CONECT   48    4                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55   11                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   20                                                      
CONECT   68   21                                                      
CONECT   69   21                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   28                                                      
CONECT   77   29                                                      
CONECT   78   29                                                      
CONECT   79   29                                                      
CONECT   80   30                                                      
CONECT   81   30                                                      
CONECT   82   30                                                      
CONECT   83   31                                                      
CONECT   84   33                                                      
CONECT   85   36                                                      
CONECT   86   41                                                      
CONECT   87   42                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
