COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.813   3.626   1.641  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.318   1.216   2.214  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.961   4.161  -0.996  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.944   5.191  -1.913  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.881   5.327  -2.788  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.827   4.433  -2.751  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.829   3.395  -1.837  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.902   3.253  -0.950  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.913   2.148   0.030  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.414   1.080  -0.265  1.00  0.00           O  
HETATM   11  N   UNL     1      -1.368   2.323   1.250  1.00  0.00           N  
HETATM   12  C   UNL     1       0.627   3.424   2.123  1.00  0.00           C  
HETATM   13  C   UNL     1       0.646   2.373   3.235  1.00  0.00           C  
HETATM   14  C   UNL     1       0.128   1.041   2.688  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.790  -0.054   1.553  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.883  -1.054   1.253  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.313  -2.219   0.648  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.657  -2.385   0.341  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.566  -1.379   0.645  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.130  -0.219   1.255  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.118   4.020  -0.040  1.00  0.00           C  
HETATM   22  F   UNL     1       0.201   2.522  -1.801  1.00  0.00           F  
HETATM   23  C   UNL     1       0.988   0.603   1.531  1.00  0.00           C  
HETATM   24  N   UNL     1      -3.095  -3.562  -0.271  1.00  0.00           N  
HETATM   25  C   UNL     1      -4.513  -3.736  -0.594  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.259  -4.344   0.612  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.292  -5.306  -0.025  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.507  -5.911  -1.215  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.671  -4.733  -1.756  1.00  0.00           C  
HETATM   30  O   UNL     1       0.687   0.918   0.399  1.00  0.00           O  
HETATM   31  N   UNL     1       2.091  -0.138   1.754  1.00  0.00           N  
HETATM   32  C   UNL     1       2.840  -0.620   0.674  1.00  0.00           C  
HETATM   33  C   UNL     1       4.217  -0.759   0.790  1.00  0.00           C  
HETATM   34  C   UNL     1       4.954  -1.235  -0.277  1.00  0.00           C  
HETATM   35  C   UNL     1       4.321  -1.572  -1.460  1.00  0.00           C  
HETATM   36  C   UNL     1       2.951  -1.434  -1.579  1.00  0.00           C  
HETATM   37  C   UNL     1       2.208  -0.965  -0.512  1.00  0.00           C  
HETATM   38  C   UNL     1       5.128  -2.090  -2.623  1.00  0.00           C  
HETATM   39  C   UNL     1       6.448  -1.386  -0.153  1.00  0.00           C  
HETATM   40  F   UNL     1       7.079  -0.588  -1.114  1.00  0.00           F  
HETATM   41  F   UNL     1       6.852  -0.984   1.125  1.00  0.00           F  
HETATM   42  F   UNL     1       6.799  -2.725  -0.354  1.00  0.00           F  
HETATM   43  H   UNL     1      -0.821   4.299   0.784  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.412   4.051   2.447  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.958   1.444   3.066  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.764   5.894  -1.948  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.874   6.135  -3.504  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.001   4.544  -3.437  1.00  0.00           H  
HETATM   49  H   UNL     1       1.244   3.085   1.291  1.00  0.00           H  
HETATM   50  H   UNL     1       1.018   4.367   2.506  1.00  0.00           H  
HETATM   51  H   UNL     1       1.666   2.245   3.596  1.00  0.00           H  
HETATM   52  H   UNL     1       0.009   2.701   4.056  1.00  0.00           H  
HETATM   53  H   UNL     1       0.164   0.287   3.475  1.00  0.00           H  
HETATM   54  H   UNL     1       0.162  -0.923   1.491  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.604  -2.999   0.413  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.611  -1.506   0.407  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.837   0.562   1.495  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.911   4.587   0.867  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.025   4.403  -0.509  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.255   2.968   0.211  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.459  -4.264  -0.483  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.955  -2.777  -0.862  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.567  -4.895   1.250  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.764  -3.564   1.181  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.583  -6.083   0.681  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.165  -4.756  -0.378  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.856  -6.715  -0.873  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.193  -6.277  -1.979  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.190  -4.257  -2.588  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.692  -5.087  -2.079  1.00  0.00           H  
HETATM   71  H   UNL     1       2.366  -0.338   2.662  1.00  0.00           H  
HETATM   72  H   UNL     1       4.712  -0.495   1.713  1.00  0.00           H  
HETATM   73  H   UNL     1       2.460  -1.698  -2.504  1.00  0.00           H  
HETATM   74  H   UNL     1       1.136  -0.863  -0.604  1.00  0.00           H  
HETATM   75  H   UNL     1       5.197  -3.176  -2.562  1.00  0.00           H  
HETATM   76  H   UNL     1       4.641  -1.809  -3.557  1.00  0.00           H  
HETATM   77  H   UNL     1       6.129  -1.660  -2.591  1.00  0.00           H  
CONECT    1   11   12   43   44                                       
CONECT    2   11   15   14   45                                       
CONECT    3    4   21    8    8                                       
CONECT    4    5    5    3   46                                       
CONECT    5    4    4    6   47                                       
CONECT    6    5    7    7   48                                       
CONECT    7    6    6    8   22                                       
CONECT    8    3    3    7    9                                       
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9    1    2                                            
CONECT   12    1   13   49   50                                       
CONECT   13   12   14   51   52                                       
CONECT   14    2   13   23   53                                       
CONECT   15   16    2   20   20                                       
CONECT   16   17   17   15   54                                       
CONECT   17   16   16   18   55                                       
CONECT   18   17   24   19   19                                       
CONECT   19   18   18   20   56                                       
CONECT   20   15   15   19   57                                       
CONECT   21    3   58   59   60                                       
CONECT   22    7                                                      
CONECT   23   14   31   30   30                                       
CONECT   24   18   25   61                                            
CONECT   25   24   26   29   62                                       
CONECT   26   25   27   63   64                                       
CONECT   27   26   28   65   66                                       
CONECT   28   27   29   67   68                                       
CONECT   29   25   28   69   70                                       
CONECT   30   23   23                                                 
CONECT   31   23   32   71                                            
CONECT   32   31   37   37   33                                       
CONECT   33   32   34   34   72                                       
CONECT   34   33   33   35   39                                       
CONECT   35   36   36   34   38                                       
CONECT   36   37   35   35   73                                       
CONECT   37   32   32   36   74                                       
CONECT   38   35   75   76   77                                       
CONECT   39   34   42   41   40                                       
CONECT   40   39                                                      
CONECT   41   39                                                      
CONECT   42   39                                                      
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   21                                                      
CONECT   61   24                                                      
CONECT   62   25                                                      
CONECT   63   26                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   31                                                      
CONECT   72   33                                                      
CONECT   73   36                                                      
CONECT   74   37                                                      
CONECT   75   38                                                      
CONECT   76   38                                                      
CONECT   77   38                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
