COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.448   1.409  -3.411  1.00  0.00           C  
HETATM    2  C   UNL     1       3.687   2.523  -2.625  1.00  0.00           C  
HETATM    3  C   UNL     1       3.763   2.401  -1.254  1.00  0.00           C  
HETATM    4  C   UNL     1       3.602   1.161  -0.627  1.00  0.00           C  
HETATM    5  C   UNL     1       3.419   0.057  -1.428  1.00  0.00           C  
HETATM    6  C   UNL     1       3.310   0.177  -2.802  1.00  0.00           C  
HETATM    7  C   UNL     1       3.581   1.224   0.886  1.00  0.00           C  
HETATM    8  C   UNL     1       4.110  -0.036   1.559  1.00  0.00           C  
HETATM    9  C   UNL     1       2.949  -1.016   1.848  1.00  0.00           C  
HETATM   10  N   UNL     1       2.372  -1.437   0.602  1.00  0.00           N  
HETATM   11  S   UNL     1       3.380  -1.553  -0.713  1.00  0.00           S  
HETATM   12  C   UNL     1       0.946  -1.753   0.495  1.00  0.00           C  
HETATM   13  C   UNL     1       0.156  -0.466   0.245  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.342  -0.777   0.257  1.00  0.00           C  
HETATM   15  O   UNL     1       0.519   0.077  -1.025  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.682  -1.695  -0.918  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.101   0.470   0.138  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.360   0.541   0.614  1.00  0.00           C  
HETATM   19  O   UNL     1      -4.057   1.688   0.505  1.00  0.00           O  
HETATM   20  O   UNL     1      -3.866  -0.429   1.142  1.00  0.00           O  
HETATM   21  C   UNL     1      -3.132  -2.101  -0.837  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.493  -3.237  -0.138  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.822  -3.609  -0.063  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.790  -2.844  -0.686  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.429  -1.707  -1.385  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.100  -1.333  -1.456  1.00  0.00           C  
HETATM   27  O   UNL     1       2.729  -2.399  -1.651  1.00  0.00           O  
HETATM   28  O   UNL     1       4.683  -1.805  -0.205  1.00  0.00           O  
HETATM   29  C   UNL     1       4.793   0.341   2.875  1.00  0.00           C  
HETATM   30  C   UNL     1       5.223  -0.931   3.609  1.00  0.00           C  
HETATM   31  C   UNL     1       6.024   1.201   2.582  1.00  0.00           C  
HETATM   32  C   UNL     1       3.817   1.129   3.750  1.00  0.00           C  
HETATM   33  F   UNL     1       3.847   3.734  -3.203  1.00  0.00           F  
HETATM   34  C   UNL     1      -5.407   1.692   1.039  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.436   1.364  -0.064  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.826   3.124   1.472  1.00  0.00           C  
HETATM   37  O   UNL     1      -7.567   2.222   0.130  1.00  0.00           O  
HETATM   38  C   UNL     1      -7.363   3.047   1.294  1.00  0.00           C  
HETATM   39  H   UNL     1       3.365   1.502  -4.483  1.00  0.00           H  
HETATM   40  H   UNL     1       3.951   3.278  -0.654  1.00  0.00           H  
HETATM   41  H   UNL     1       3.122  -0.700  -3.403  1.00  0.00           H  
HETATM   42  H   UNL     1       4.188   2.071   1.208  1.00  0.00           H  
HETATM   43  H   UNL     1       2.555   1.387   1.214  1.00  0.00           H  
HETATM   44  H   UNL     1       4.835  -0.519   0.904  1.00  0.00           H  
HETATM   45  H   UNL     1       3.330  -1.884   2.385  1.00  0.00           H  
HETATM   46  H   UNL     1       2.191  -0.516   2.451  1.00  0.00           H  
HETATM   47  H   UNL     1       0.788  -2.443  -0.335  1.00  0.00           H  
HETATM   48  H   UNL     1       0.605  -2.214   1.421  1.00  0.00           H  
HETATM   49  H   UNL     1       0.383   0.257   1.028  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.603  -1.273   1.193  1.00  0.00           H  
HETATM   51  H   UNL     1       0.344  -0.514  -1.770  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.505  -1.167  -1.855  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.054  -2.585  -0.879  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.697   1.245  -0.283  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.737  -3.835   0.350  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.104  -4.497   0.483  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.829  -3.135  -0.628  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.185  -1.110  -1.872  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.818  -0.442  -1.998  1.00  0.00           H  
HETATM   60  H   UNL     1       5.919  -1.493   2.986  1.00  0.00           H  
HETATM   61  H   UNL     1       5.710  -0.662   4.547  1.00  0.00           H  
HETATM   62  H   UNL     1       4.346  -1.544   3.818  1.00  0.00           H  
HETATM   63  H   UNL     1       5.709   2.153   2.155  1.00  0.00           H  
HETATM   64  H   UNL     1       6.570   1.381   3.508  1.00  0.00           H  
HETATM   65  H   UNL     1       6.670   0.681   1.874  1.00  0.00           H  
HETATM   66  H   UNL     1       2.940   0.517   3.958  1.00  0.00           H  
HETATM   67  H   UNL     1       4.304   1.398   4.687  1.00  0.00           H  
HETATM   68  H   UNL     1       3.511   2.035   3.227  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.495   0.994   1.872  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.997   1.546  -1.045  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.743   0.321   0.015  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.560   3.314   2.512  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.391   3.876   0.814  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.822   2.586   2.169  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.777   4.042   1.130  1.00  0.00           H  
CONECT    1    2    2    6   39                                       
CONECT    2    3   33    1    1                                       
CONECT    3    4    4    2   40                                       
CONECT    4    7    3    3    5                                       
CONECT    5    4   11    6    6                                       
CONECT    6    5    5    1   41                                       
CONECT    7    8    4   42   43                                       
CONECT    8   29    9    7   44                                       
CONECT    9    8   10   45   46                                       
CONECT   10    9   12   11                                            
CONECT   11   10   28   28    5                                       
CONECT   11   27   27                                                 
CONECT   12   13   10   47   48                                       
CONECT   13   15   12   14   49                                       
CONECT   14   13   17   16   50                                       
CONECT   15   13   51                                                 
CONECT   16   14   21   52   53                                       
CONECT   17   18   14   54                                            
CONECT   18   19   20   20   17                                       
CONECT   19   34   18                                                 
CONECT   20   18   18                                                 
CONECT   21   16   26   26   22                                       
CONECT   22   21   23   23   55                                       
CONECT   23   22   22   24   56                                       
CONECT   24   25   25   23   57                                       
CONECT   25   26   24   24   58                                       
CONECT   26   21   21   25   59                                       
CONECT   27   11   11                                                 
CONECT   28   11   11                                                 
CONECT   29   32   31   30    8                                       
CONECT   30   29   60   61   62                                       
CONECT   31   29   63   64   65                                       
CONECT   32   29   66   67   68                                       
CONECT   33    2                                                      
CONECT   34   36   35   19   69                                       
CONECT   35   37   34   70   71                                       
CONECT   36   38   34   72   73                                       
CONECT   37   38   35                                                 
CONECT   38   37   36   74   75                                       
CONECT   39    1                                                      
CONECT   40    3                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   24                                                      
CONECT   58   25                                                      
CONECT   59   26                                                      
CONECT   60   30                                                      
CONECT   61   30                                                      
CONECT   62   30                                                      
CONECT   63   31                                                      
CONECT   64   31                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   32                                                      
CONECT   68   32                                                      
CONECT   69   34                                                      
CONECT   70   35                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   36                                                      
CONECT   74   38                                                      
CONECT   75   38                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
