COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.301   2.977  -2.658  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.705   3.402  -1.591  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.038   4.299  -0.547  1.00  0.00           C  
HETATM    4  C   UNL     1       1.197   3.604   0.055  1.00  0.00           C  
HETATM    5  C   UNL     1       2.143   3.068  -0.995  1.00  0.00           C  
HETATM    6  C   UNL     1       1.413   2.163  -1.988  1.00  0.00           C  
HETATM    7  O   UNL     1       2.331   1.696  -2.978  1.00  0.00           O  
HETATM    8  N   UNL     1       0.671   2.559   0.938  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.674   2.971   1.378  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.985   4.320   0.692  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.689   1.938   0.962  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.998   2.140   1.212  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.973   1.089   0.908  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.357   1.520   1.398  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.359   0.439   1.084  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.078   0.285  -0.230  1.00  0.00           C  
HETATM   17  N   UNL     1      -7.956  -0.888  -0.108  1.00  0.00           N  
HETATM   18  C   UNL     1      -7.744  -1.398   1.254  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.726  -0.502   1.909  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.799  -1.400  -1.066  1.00  0.00           C  
HETATM   21  N   UNL     1      -8.878  -0.830  -2.236  1.00  0.00           N  
HETATM   22  N   UNL     1      -9.559  -2.512  -0.790  1.00  0.00           N  
HETATM   23  O   UNL     1      -1.328   0.925   0.401  1.00  0.00           O  
HETATM   24  C   UNL     1       1.305   1.422   1.287  1.00  0.00           C  
HETATM   25  O   UNL     1       0.834   0.703   2.142  1.00  0.00           O  
HETATM   26  C   UNL     1       2.599   1.044   0.613  1.00  0.00           C  
HETATM   27  C   UNL     1       3.745   1.857   1.218  1.00  0.00           C  
HETATM   28  C   UNL     1       5.024   1.612   0.414  1.00  0.00           C  
HETATM   29  C   UNL     1       4.845   2.154  -1.006  1.00  0.00           C  
HETATM   30  C   UNL     1       6.195   2.329   1.089  1.00  0.00           C  
HETATM   31 CL   UNL     1       3.330   3.611   1.169  1.00  0.00          Cl  
HETATM   32  N   UNL     1       2.854  -0.384   0.812  1.00  0.00           N  
HETATM   33  C   UNL     1       3.624  -1.060  -0.064  1.00  0.00           C  
HETATM   34  C   UNL     1       3.887  -2.530   0.142  1.00  0.00           C  
HETATM   35  O   UNL     1       4.815  -2.990  -0.843  1.00  0.00           O  
HETATM   36  C   UNL     1       5.637  -4.073  -0.405  1.00  0.00           C  
HETATM   37  C   UNL     1       2.575  -3.306   0.008  1.00  0.00           C  
HETATM   38  O   UNL     1       2.803  -4.682   0.317  1.00  0.00           O  
HETATM   39  S   UNL     1       1.559  -5.553   0.215  1.00  0.00           S  
HETATM   40  O   UNL     1       1.277  -5.766  -1.265  1.00  0.00           O  
HETATM   41  O   UNL     1       1.914  -6.824   0.742  1.00  0.00           O  
HETATM   42  O   UNL     1       0.482  -4.776   0.721  1.00  0.00           O  
HETATM   43  O   UNL     1       4.105  -0.485  -1.017  1.00  0.00           O  
HETATM   44  O   UNL     1      -0.354   2.173  -3.642  1.00  0.00           O  
HETATM   45  H   UNL     1       0.729   3.861  -3.131  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.521   3.947  -2.065  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.104   2.515  -1.100  1.00  0.00           H  
HETATM   48  H   UNL     1       0.189   5.292  -0.936  1.00  0.00           H  
HETATM   49  H   UNL     1       1.734   4.325   0.671  1.00  0.00           H  
HETATM   50  H   UNL     1       2.588   3.904  -1.535  1.00  0.00           H  
HETATM   51  H   UNL     1       2.933   2.498  -0.507  1.00  0.00           H  
HETATM   52  H   UNL     1       0.979   1.314  -1.460  1.00  0.00           H  
HETATM   53  H   UNL     1       1.930   1.128  -3.650  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.689   3.094   2.461  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.742   5.154   1.350  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.029   4.364   0.380  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.295   2.980   1.594  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.004   0.924  -0.169  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.680   0.166   1.408  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.325   1.685   2.475  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.649   2.443   0.897  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.674   1.174  -0.433  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.357   0.126  -1.031  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.680  -1.370   1.811  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.363  -2.418   1.213  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.355  -0.620   2.917  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.473  -1.191  -2.911  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.500  -2.935   0.081  1.00  0.00           H  
HETATM   69  H   UNL     1     -10.154  -2.873  -1.465  1.00  0.00           H  
HETATM   70  H   UNL     1       2.528   1.255  -0.454  1.00  0.00           H  
HETATM   71  H   UNL     1       3.902   1.550   2.252  1.00  0.00           H  
HETATM   72  H   UNL     1       5.227   0.542   0.372  1.00  0.00           H  
HETATM   73  H   UNL     1       4.010   1.643  -1.486  1.00  0.00           H  
HETATM   74  H   UNL     1       4.641   3.224  -0.964  1.00  0.00           H  
HETATM   75  H   UNL     1       5.756   1.979  -1.578  1.00  0.00           H  
HETATM   76  H   UNL     1       6.379   1.883   2.067  1.00  0.00           H  
HETATM   77  H   UNL     1       7.088   2.228   0.471  1.00  0.00           H  
HETATM   78  H   UNL     1       5.955   3.385   1.210  1.00  0.00           H  
HETATM   79  H   UNL     1       2.470  -0.844   1.575  1.00  0.00           H  
HETATM   80  H   UNL     1       4.303  -2.689   1.136  1.00  0.00           H  
HETATM   81  H   UNL     1       6.218  -3.761   0.463  1.00  0.00           H  
HETATM   82  H   UNL     1       5.008  -4.921  -0.135  1.00  0.00           H  
HETATM   83  H   UNL     1       6.314  -4.364  -1.208  1.00  0.00           H  
HETATM   84  H   UNL     1       1.838  -2.895   0.698  1.00  0.00           H  
HETATM   85  H   UNL     1       2.204  -3.219  -1.013  1.00  0.00           H  
HETATM   86  H   UNL     1       0.498  -6.311  -1.443  1.00  0.00           H  
HETATM   87  H   UNL     1       0.228   1.868  -4.352  1.00  0.00           H  
CONECT    1    2    6   44   45                                       
CONECT    2    1    3   46   47                                       
CONECT    3    2    4   10   48                                       
CONECT    4    3    5    8   49                                       
CONECT    5    4    6   50   51                                       
CONECT    6    1    5    7   52                                       
CONECT    7    6   53                                                 
CONECT    8    4    9   24                                            
CONECT    9    8   10   11   54                                       
CONECT   10    3    9   55   56                                       
CONECT   11    9   12   23   23                                       
CONECT   12   11   13   57                                            
CONECT   13   12   14   58   59                                       
CONECT   14   13   15   60   61                                       
CONECT   15   14   16   19   19                                       
CONECT   16   15   17   62   63                                       
CONECT   17   16   18   20                                            
CONECT   18   17   19   64   65                                       
CONECT   19   15   15   18   66                                       
CONECT   20   17   21   21   22                                       
CONECT   21   20   20   67                                            
CONECT   22   20   68   69                                            
CONECT   23   11   11                                                 
CONECT   24    8   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   32   70                                       
CONECT   27   26   28   31   71                                       
CONECT   28   27   29   30   72                                       
CONECT   29   28   73   74   75                                       
CONECT   30   28   76   77   78                                       
CONECT   31   27                                                      
CONECT   32   26   33   79                                            
CONECT   33   32   34   43   43                                       
CONECT   34   33   35   37   80                                       
CONECT   35   34   36                                                 
CONECT   36   35   81   82   83                                       
CONECT   37   34   38   84   85                                       
CONECT   38   37   39                                                 
CONECT   39   38   40   41   41                                       
CONECT   39   42   42                                                 
CONECT   40   39   86                                                 
CONECT   41   39   39                                                 
CONECT   42   39   39                                                 
CONECT   43   33   33                                                 
CONECT   44    1   87                                                 
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   10                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   14                                                      
CONECT   62   16                                                      
CONECT   63   16                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   19                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   22                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   29                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   30                                                      
CONECT   78   30                                                      
CONECT   79   32                                                      
CONECT   80   34                                                      
CONECT   81   36                                                      
CONECT   82   36                                                      
CONECT   83   36                                                      
CONECT   84   37                                                      
CONECT   85   37                                                      
CONECT   86   40                                                      
CONECT   87   44                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
