COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.319   0.371  -0.407  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.625   1.721  -0.482  1.00  0.00           C  
HETATM    3  C   UNL     1       0.354   2.634  -0.831  1.00  0.00           C  
HETATM    4  C   UNL     1       7.117  -0.986   0.308  1.00  0.00           C  
HETATM    5  C   UNL     1       8.187   0.095   0.481  1.00  0.00           C  
HETATM    6  C   UNL     1       6.552   1.546   1.520  1.00  0.00           C  
HETATM    7  C   UNL     1       5.483   0.465   1.348  1.00  0.00           C  
HETATM    8  C   UNL     1       3.517   3.981   0.036  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.670  -0.097   0.232  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.640  -1.223  -0.019  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.960  -0.942  -0.332  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.852  -1.985  -0.569  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.416  -3.297  -0.488  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.098  -3.570  -0.174  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.211  -2.535   0.059  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.763   0.335   1.673  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.412   1.514   1.992  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.492   1.903   3.322  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.915   1.088   4.283  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.283  -0.076   3.888  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.830  -0.077  -1.192  1.00  0.00           C  
HETATM   22  C   UNL     1       1.639   2.204  -1.106  1.00  0.00           C  
HETATM   23  C   UNL     1       1.953   0.859  -1.034  1.00  0.00           C  
HETATM   24  C   UNL     1       0.979  -0.062  -0.679  1.00  0.00           C  
HETATM   25  N   UNL     1       1.296  -1.425  -0.600  1.00  0.00           N  
HETATM   26  S   UNL     1       2.880   3.373  -1.549  1.00  0.00           S  
HETATM   27  O   UNL     1       2.168   4.399  -2.227  1.00  0.00           O  
HETATM   28  O   UNL     1       3.866   2.600  -2.220  1.00  0.00           O  
HETATM   29  N   UNL     1      -2.230  -0.418   2.615  1.00  0.00           N  
HETATM   30 CL   UNL     1      -4.116   2.496   0.745  1.00  0.00          Cl  
HETATM   31  N   UNL     1      -1.308  -0.554  -0.053  1.00  0.00           N  
HETATM   32  O   UNL     1      -5.625   0.242  -0.470  1.00  0.00           O  
HETATM   33  O   UNL     1      -7.077  -1.454  -0.855  1.00  0.00           O  
HETATM   34  F   UNL     1      -7.888   0.732  -0.764  1.00  0.00           F  
HETATM   35  F   UNL     1      -6.629   0.064  -2.570  1.00  0.00           F  
HETATM   36  C   UNL     1       2.609  -1.819  -0.438  1.00  0.00           C  
HETATM   37  N   UNL     1       3.555  -0.911  -0.217  1.00  0.00           N  
HETATM   38  C   UNL     1       4.818  -1.292  -0.062  1.00  0.00           C  
HETATM   39  N   UNL     1       5.136  -2.582  -0.127  1.00  0.00           N  
HETATM   40  C   UNL     1       4.192  -3.488  -0.348  1.00  0.00           C  
HETATM   41  N   UNL     1       2.928  -3.109  -0.498  1.00  0.00           N  
HETATM   42  O   UNL     1       4.516  -4.800  -0.415  1.00  0.00           O  
HETATM   43  C   UNL     1       3.438  -5.730  -0.542  1.00  0.00           C  
HETATM   44  N   UNL     1       5.800  -0.350   0.167  1.00  0.00           N  
HETATM   45  N   UNL     1       7.870   0.910   1.661  1.00  0.00           N  
HETATM   46  H   UNL     1      -1.628   2.061  -0.268  1.00  0.00           H  
HETATM   47  H   UNL     1       0.114   3.685  -0.889  1.00  0.00           H  
HETATM   48  H   UNL     1       7.335  -1.574  -0.584  1.00  0.00           H  
HETATM   49  H   UNL     1       7.115  -1.638   1.182  1.00  0.00           H  
HETATM   50  H   UNL     1       9.161  -0.375   0.615  1.00  0.00           H  
HETATM   51  H   UNL     1       8.208   0.730  -0.405  1.00  0.00           H  
HETATM   52  H   UNL     1       6.555   2.198   0.647  1.00  0.00           H  
HETATM   53  H   UNL     1       6.335   2.134   2.412  1.00  0.00           H  
HETATM   54  H   UNL     1       5.462  -0.170   2.233  1.00  0.00           H  
HETATM   55  H   UNL     1       4.509   0.936   1.214  1.00  0.00           H  
HETATM   56  H   UNL     1       3.928   3.148   0.606  1.00  0.00           H  
HETATM   57  H   UNL     1       4.299   4.718  -0.145  1.00  0.00           H  
HETATM   58  H   UNL     1       2.707   4.442   0.601  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.914   0.744  -0.417  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.106  -4.108  -0.672  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.759  -4.594  -0.111  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.181  -2.752   0.300  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.992   2.819   3.601  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.957   1.359   5.327  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.831  -0.717   4.631  1.00  0.00           H  
HETATM   66  H   UNL     1       2.957   0.527  -1.250  1.00  0.00           H  
HETATM   67  H   UNL     1       0.593  -2.091  -0.658  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.091  -1.498   0.003  1.00  0.00           H  
HETATM   69  H   UNL     1       2.730  -5.578   0.272  1.00  0.00           H  
HETATM   70  H   UNL     1       2.935  -5.573  -1.496  1.00  0.00           H  
HETATM   71  H   UNL     1       3.828  -6.747  -0.499  1.00  0.00           H  
HETATM   72  H   UNL     1       7.917   0.359   2.505  1.00  0.00           H  
CONECT    1    2   31   24   24                                       
CONECT    2    3    3    1   46                                       
CONECT    3    2    2   22   47                                       
CONECT    4   44    5   48   49                                       
CONECT    5    4   45   50   51                                       
CONECT    6    7   45   52   53                                       
CONECT    7   44    6   54   55                                       
CONECT    8   26   56   57   58                                       
CONECT    9   10   16   31   59                                       
CONECT   10   11   11   15    9                                       
CONECT   11   12   32   10   10                                       
CONECT   12   33   13   13   11                                       
CONECT   13   12   12   14   60                                       
CONECT   14   13   15   15   61                                       
CONECT   15   14   14   10   62                                       
CONECT   16    9   17   17   29                                       
CONECT   17   30   16   16   18                                       
CONECT   18   17   19   19   63                                       
CONECT   19   18   18   20   64                                       
CONECT   20   29   29   19   65                                       
CONECT   21   35   34   33   32                                       
CONECT   22    3   26   23   23                                       
CONECT   23   22   22   24   66                                       
CONECT   24    1    1   23   25                                       
CONECT   25   24   36   67                                            
CONECT   26   28   28    8   22                                       
CONECT   26   27   27                                                 
CONECT   27   26   26                                                 
CONECT   28   26   26                                                 
CONECT   29   16   20   20                                            
CONECT   30   17                                                      
CONECT   31    9    1   68                                            
CONECT   32   21   11                                                 
CONECT   33   21   12                                                 
CONECT   34   21                                                      
CONECT   35   21                                                      
CONECT   36   25   41   41   37                                       
CONECT   37   36   38   38                                            
CONECT   38   37   37   39   44                                       
CONECT   39   40   40   38                                            
CONECT   40   41   42   39   39                                       
CONECT   41   36   36   40                                            
CONECT   42   43   40                                                 
CONECT   43   42   69   70   71                                       
CONECT   44   38    4    7                                            
CONECT   45    5    6   72                                            
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    6                                                      
CONECT   54    7                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57    8                                                      
CONECT   58    8                                                      
CONECT   59    9                                                      
CONECT   60   13                                                      
CONECT   61   14                                                      
CONECT   62   15                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   20                                                      
CONECT   66   23                                                      
CONECT   67   25                                                      
CONECT   68   31                                                      
CONECT   69   43                                                      
CONECT   70   43                                                      
CONECT   71   43                                                      
CONECT   72   45                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
