COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.902   1.530   0.851  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.243   2.244  -0.345  1.00  0.00           C  
HETATM    3 CL   UNL     1      -6.434   2.468  -1.681  1.00  0.00          Cl  
HETATM    4  C   UNL     1      -4.807   3.611   0.226  1.00  0.00           C  
HETATM    5  O   UNL     1      -4.636   3.382   1.639  1.00  0.00           O  
HETATM    6  C   UNL     1      -5.721   2.517   2.037  1.00  0.00           C  
HETATM    7  O   UNL     1      -5.292   1.745   3.166  1.00  0.00           O  
HETATM    8  C   UNL     1      -5.213   0.355   2.816  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.013   0.335   1.279  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.623   0.565   0.929  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.875  -0.520   0.654  1.00  0.00           C  
HETATM   12  O   UNL     1      -3.369  -1.628   0.704  1.00  0.00           O  
HETATM   13  N   UNL     1      -1.576  -0.376   0.322  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.762  -1.556   0.022  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.943  -1.941  -1.448  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.368  -2.370  -1.682  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.320  -1.436  -2.049  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.627  -1.830  -2.264  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.983  -3.157  -2.113  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.032  -4.091  -1.747  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.723  -3.698  -1.536  1.00  0.00           C  
HETATM   22  C   UNL     1       0.711  -1.240   0.289  1.00  0.00           C  
HETATM   23  O   UNL     1       1.155  -0.233  -0.623  1.00  0.00           O  
HETATM   24  C   UNL     1       1.548  -2.507   0.095  1.00  0.00           C  
HETATM   25  N   UNL     1       2.935  -2.240   0.484  1.00  0.00           N  
HETATM   26  C   UNL     1       3.309  -2.224   1.900  1.00  0.00           C  
HETATM   27  C   UNL     1       3.655  -3.644   2.352  1.00  0.00           C  
HETATM   28  C   UNL     1       4.176  -3.608   3.790  1.00  0.00           C  
HETATM   29  C   UNL     1       2.403  -4.520   2.286  1.00  0.00           C  
HETATM   30  S   UNL     1       4.080  -1.956  -0.678  1.00  0.00           S  
HETATM   31  O   UNL     1       5.313  -2.422  -0.148  1.00  0.00           O  
HETATM   32  O   UNL     1       3.534  -2.426  -1.903  1.00  0.00           O  
HETATM   33  C   UNL     1       4.237  -0.209  -0.841  1.00  0.00           C  
HETATM   34  C   UNL     1       5.057   0.489   0.022  1.00  0.00           C  
HETATM   35  C   UNL     1       5.182   1.863  -0.104  1.00  0.00           C  
HETATM   36  O   UNL     1       5.885   2.805   0.567  1.00  0.00           O  
HETATM   37  C   UNL     1       5.627   4.000   0.008  1.00  0.00           C  
HETATM   38  N   UNL     1       6.164   5.197   0.422  1.00  0.00           N  
HETATM   39  C   UNL     1       5.806   6.438  -0.269  1.00  0.00           C  
HETATM   40  N   UNL     1       4.791   3.858  -0.989  1.00  0.00           N  
HETATM   41  C   UNL     1       4.474   2.539  -1.109  1.00  0.00           C  
HETATM   42  C   UNL     1       3.649   1.821  -1.975  1.00  0.00           C  
HETATM   43  C   UNL     1       3.540   0.454  -1.839  1.00  0.00           C  
HETATM   44  H   UNL     1      -6.943   1.260   0.667  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.378   1.681  -0.697  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.633   3.079   2.240  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.376  -0.599   0.848  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.867   3.928  -0.225  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.582   4.359   0.054  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.364  -0.113   3.313  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.138  -0.156   3.083  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.181   0.509   0.282  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.076  -2.385   0.656  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.713  -1.082  -2.079  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.271  -2.763  -1.694  1.00  0.00           H  
HETATM   56  H   UNL     1       0.827  -0.881   1.311  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.042  -0.400  -2.167  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.979  -4.428  -1.254  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.371  -1.101  -2.550  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.005  -3.465  -2.281  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.310  -5.128  -1.629  1.00  0.00           H  
HETATM   62  H   UNL     1       1.147  -0.510  -1.550  1.00  0.00           H  
HETATM   63  H   UNL     1       1.144  -3.306   0.716  1.00  0.00           H  
HETATM   64  H   UNL     1       1.515  -2.807  -0.952  1.00  0.00           H  
HETATM   65  H   UNL     1       4.175  -1.576   2.040  1.00  0.00           H  
HETATM   66  H   UNL     1       2.474  -1.847   2.492  1.00  0.00           H  
HETATM   67  H   UNL     1       4.423  -4.056   1.698  1.00  0.00           H  
HETATM   68  H   UNL     1       3.409  -3.195   4.445  1.00  0.00           H  
HETATM   69  H   UNL     1       4.423  -4.620   4.113  1.00  0.00           H  
HETATM   70  H   UNL     1       5.069  -2.984   3.838  1.00  0.00           H  
HETATM   71  H   UNL     1       2.614  -5.490   2.736  1.00  0.00           H  
HETATM   72  H   UNL     1       1.591  -4.036   2.829  1.00  0.00           H  
HETATM   73  H   UNL     1       2.111  -4.658   1.244  1.00  0.00           H  
HETATM   74  H   UNL     1       5.599  -0.034   0.795  1.00  0.00           H  
HETATM   75  H   UNL     1       2.905  -0.103  -2.512  1.00  0.00           H  
HETATM   76  H   UNL     1       6.097   6.368  -1.317  1.00  0.00           H  
HETATM   77  H   UNL     1       4.730   6.595  -0.200  1.00  0.00           H  
HETATM   78  H   UNL     1       6.325   7.276   0.197  1.00  0.00           H  
HETATM   79  H   UNL     1       3.101   2.334  -2.752  1.00  0.00           H  
HETATM   80  H   UNL     1       6.779   5.219   1.172  1.00  0.00           H  
CONECT    1    2    6    9   44                                       
CONECT    2    1    3    4   45                                       
CONECT    3    2                                                      
CONECT    4    2    5   48   49                                       
CONECT    5    4    6                                                 
CONECT    6    1    5    7   46                                       
CONECT    7    6    8                                                 
CONECT    8    7    9   50   51                                       
CONECT    9    1    8   10   47                                       
CONECT   10    9   11                                                 
CONECT   11   10   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   52                                            
CONECT   14   13   15   22   53                                       
CONECT   15   14   16   54   55                                       
CONECT   16   15   17   21   21                                       
CONECT   17   16   18   18   57                                       
CONECT   18   17   17   19   59                                       
CONECT   19   18   20   20   60                                       
CONECT   20   19   19   21   61                                       
CONECT   21   16   16   20   58                                       
CONECT   22   14   23   24   56                                       
CONECT   23   22   62                                                 
CONECT   24   22   25   63   64                                       
CONECT   25   24   26   30                                            
CONECT   26   25   27   65   66                                       
CONECT   27   26   28   29   67                                       
CONECT   28   27   68   69   70                                       
CONECT   29   27   71   72   73                                       
CONECT   30   25   31   31   32                                       
CONECT   30   32   33                                                 
CONECT   31   30   30                                                 
CONECT   32   30   30                                                 
CONECT   33   30   34   43   43                                       
CONECT   34   33   35   35   74                                       
CONECT   35   34   34   36   41                                       
CONECT   36   35   37                                                 
CONECT   37   36   38   40   40                                       
CONECT   38   37   39   80                                            
CONECT   39   38   76   77   78                                       
CONECT   40   37   37   41                                            
CONECT   41   35   40   42   42                                       
CONECT   42   41   41   43   79                                       
CONECT   43   33   33   42   75                                       
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    6                                                      
CONECT   47    9                                                      
CONECT   48    4                                                      
CONECT   49    4                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   22                                                      
CONECT   57   17                                                      
CONECT   58   21                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   28                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
CONECT   74   34                                                      
CONECT   75   43                                                      
CONECT   76   39                                                      
CONECT   77   39                                                      
CONECT   78   39                                                      
CONECT   79   42                                                      
CONECT   80   38                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
