COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.368  -1.271  -0.270  1.00  0.00           C  
HETATM    2  C   UNL     1       3.779   0.667  -0.075  1.00  0.00           C  
HETATM    3  C   UNL     1       6.486  -0.303  -0.386  1.00  0.00           C  
HETATM    4  C   UNL     1       8.658   0.456   0.303  1.00  0.00           C  
HETATM    5  C   UNL     1       7.620  -0.447   0.415  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.038  -0.753   0.432  1.00  0.00           C  
HETATM    7  C   UNL     1       1.607  -1.224   0.139  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.604  -2.068   0.370  1.00  0.00           C  
HETATM    9  N   UNL     1      -5.345  -2.217  -1.339  1.00  0.00           N  
HETATM   10  C   UNL     1       4.060  -0.813  -0.122  1.00  0.00           C  
HETATM   11  C   UNL     1       3.022  -1.718  -0.020  1.00  0.00           C  
HETATM   12  O   UNL     1       9.772   0.333   1.074  1.00  0.00           O  
HETATM   13  C   UNL     1      -3.513   5.059  -0.437  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.684   5.667   0.794  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.253   5.033   1.943  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.649   3.791   1.864  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.478   3.184   0.634  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.821   1.831   0.547  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.388  -0.478   0.583  1.00  0.00           C  
HETATM   20  O   UNL     1      -7.032   1.231   1.270  1.00  0.00           O  
HETATM   21  N   UNL     1      -5.367   5.369  -1.977  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.978   5.753  -1.691  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.817   0.811   0.644  1.00  0.00           O  
HETATM   24 CL   UNL     1      -0.979  -4.753   0.379  1.00  0.00          Cl  
HETATM   25  O   UNL     1       0.720  -2.341   0.223  1.00  0.00           O  
HETATM   26  O   UNL     1       9.605   2.389  -0.707  1.00  0.00           O  
HETATM   27  O   UNL     1      -7.066  -2.098  -2.989  1.00  0.00           O  
HETATM   28  O   UNL     1      -7.483  -0.842   1.887  1.00  0.00           O  
HETATM   29  C   UNL     1       8.573   1.508  -0.609  1.00  0.00           C  
HETATM   30  C   UNL     1      10.792   2.043  -0.139  1.00  0.00           C  
HETATM   31  C   UNL     1      10.872   1.050   0.721  1.00  0.00           C  
HETATM   32  C   UNL     1       7.453   1.643  -1.412  1.00  0.00           C  
HETATM   33  C   UNL     1       6.409   0.745  -1.299  1.00  0.00           C  
HETATM   34  C   UNL     1       5.620  -2.641  -0.313  1.00  0.00           C  
HETATM   35  C   UNL     1       4.576  -3.536  -0.205  1.00  0.00           C  
HETATM   36  C   UNL     1       3.279  -3.076  -0.064  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.521  -3.106   0.458  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.868  -2.829   0.608  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.302  -1.518   0.671  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.770  -1.219   0.834  1.00  0.00           C  
HETATM   41  C   UNL     1      -5.398  -0.978  -0.540  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.726  -2.605  -1.697  1.00  0.00           C  
HETATM   43  C   UNL     1      -7.615  -1.950  -0.610  1.00  0.00           C  
HETATM   44  C   UNL     1      -6.885  -0.601  -0.379  1.00  0.00           C  
HETATM   45  C   UNL     1      -7.156  -0.080   1.009  1.00  0.00           C  
HETATM   46  C   UNL     1      -2.910   3.818  -0.516  1.00  0.00           C  
HETATM   47  H   UNL     1       3.600   1.035  -1.085  1.00  0.00           H  
HETATM   48  H   UNL     1       2.898   0.850   0.540  1.00  0.00           H  
HETATM   49  H   UNL     1       4.636   1.186   0.355  1.00  0.00           H  
HETATM   50  H   UNL     1       7.686  -1.261   1.122  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.325   0.056   0.368  1.00  0.00           H  
HETATM   52  H   UNL     1       1.530  -0.630   1.050  1.00  0.00           H  
HETATM   53  H   UNL     1       1.338  -0.609  -0.720  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.882  -2.955  -0.831  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.155   6.636   0.856  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.386   5.508   2.904  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.312   3.296   2.762  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.300   1.740  -0.406  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.107   1.720   1.363  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.216   1.518   2.175  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.967   5.572  -1.191  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.702   5.822  -2.814  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.921   6.833  -1.551  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.341   5.460  -2.526  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.509  -2.437  -3.703  1.00  0.00           H  
HETATM   66  H   UNL     1      11.684   2.593  -0.399  1.00  0.00           H  
HETATM   67  H   UNL     1      11.829   0.800   1.155  1.00  0.00           H  
HETATM   68  H   UNL     1       7.394   2.454  -2.123  1.00  0.00           H  
HETATM   69  H   UNL     1       5.532   0.857  -1.920  1.00  0.00           H  
HETATM   70  H   UNL     1       6.631  -3.001  -0.433  1.00  0.00           H  
HETATM   71  H   UNL     1       4.770  -4.598  -0.238  1.00  0.00           H  
HETATM   72  H   UNL     1       2.464  -3.780   0.017  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.581  -3.637   0.677  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.262  -2.065   1.315  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.893  -0.329   1.451  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.864  -0.181  -1.057  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.834  -3.689  -1.675  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.628  -1.788  -0.980  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.625  -2.550   0.300  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.181   0.131  -1.131  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.776   3.344  -1.477  1.00  0.00           H  
CONECT    1    3   10   10   34                                       
CONECT    2   10   47   48   49                                       
CONECT    3   33   33    5    1                                       
CONECT    4   29   12    5    5                                       
CONECT    5    4    4    3   50                                       
CONECT    6   19   19    8   51                                       
CONECT    7   11   25   52   53                                       
CONECT    8    6   25   37   37                                       
CONECT    9   42   41   54                                            
CONECT   10    2    1    1   11                                       
CONECT   11   10    7   36   36                                       
CONECT   12   31    4                                                 
CONECT   13   22   46   46   14                                       
CONECT   14   13   15   15   55                                       
CONECT   15   14   14   16   56                                       
CONECT   16   17   17   15   57                                       
CONECT   17   46   18   16   16                                       
CONECT   18   17   23   58   59                                       
CONECT   19   23    6    6   39                                       
CONECT   20   45   60                                                 
CONECT   21   22   61   62                                            
CONECT   22   21   13   63   64                                       
CONECT   23   18   19                                                 
CONECT   24   37                                                      
CONECT   25    7    8                                                 
CONECT   26   30   29                                                 
CONECT   27   42   65                                                 
CONECT   28   45   45                                                 
CONECT   29   26   32   32    4                                       
CONECT   30   26   31   31   66                                       
CONECT   31   30   30   12   67                                       
CONECT   32   29   29   33   68                                       
CONECT   33   32    3    3   69                                       
CONECT   34    1   35   35   70                                       
CONECT   35   34   34   36   71                                       
CONECT   36   11   11   35   72                                       
CONECT   37    8    8   38   24                                       
CONECT   38   39   39   37   73                                       
CONECT   39   19   40   38   38                                       
CONECT   40   41   39   74   75                                       
CONECT   41   44    9   40   76                                       
CONECT   42   43   27    9   77                                       
CONECT   43   42   44   78   79                                       
CONECT   44   43   45   41   80                                       
CONECT   45   28   28   44   20                                       
CONECT   46   13   13   17   81                                       
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    2                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    7                                                      
CONECT   54    9                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   27                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   32                                                      
CONECT   69   33                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   38                                                      
CONECT   74   40                                                      
CONECT   75   40                                                      
CONECT   76   41                                                      
CONECT   77   42                                                      
CONECT   78   43                                                      
CONECT   79   43                                                      
CONECT   80   44                                                      
CONECT   81   46                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
