COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK     1       3.090   0.157  -1.582  1.00  0.00           C  
HETATM    2  C   UNK     1       5.404   0.399   0.909  1.00  0.00           C  
HETATM    3  C   UNK     1       6.788   0.373   1.559  1.00  0.00           C  
HETATM    4  C   UNK     1       3.572   3.306  -0.037  1.00  0.00           C  
HETATM    5  C   UNK     1       2.787   6.614   1.172  1.00  0.00           C  
HETATM    6  C   UNK     1       1.817   0.740  -1.741  1.00  0.00           C  
HETATM    7  C   UNK     1       0.804  -0.551  -3.618  1.00  0.00           C  
HETATM    8  N   UNK     1       2.580  -6.746   1.633  1.00  0.00           N  
HETATM    9  S   UNK     1       1.757  -5.350   1.974  1.00  0.00           S  
HETATM   10  O   UNK     1       0.387  -5.617   1.706  1.00  0.00           O  
HETATM   11  O   UNK     1       2.230  -4.904   3.238  1.00  0.00           O  
HETATM   12  C   UNK     1       2.268  -4.142   0.797  1.00  0.00           C  
HETATM   13  C   UNK     1       1.360  -3.639  -0.115  1.00  0.00           C  
HETATM   14  C   UNK     1       1.761  -2.691  -1.038  1.00  0.00           C  
HETATM   15  C   UNK     1       3.069  -2.246  -1.050  1.00  0.00           C  
HETATM   16  C   UNK     1       3.504  -1.212  -2.057  1.00  0.00           C  
HETATM   17  C   UNK     1       3.876   1.044  -0.935  1.00  0.00           C  
HETATM   18  C   UNK     1       5.319   0.839  -0.554  1.00  0.00           C  
HETATM   19  C   UNK     1       6.084  -0.939   1.206  1.00  0.00           C  
HETATM   20  N   UNK     1       3.132   2.156  -0.687  1.00  0.00           N  
HETATM   21  N   UNK     1       2.851   4.357   0.191  1.00  0.00           N  
HETATM   22  C   UNK     1       3.465   5.352   0.836  1.00  0.00           C  
HETATM   23  O   UNK     1       1.497   6.798   0.826  1.00  0.00           O  
HETATM   24  O   UNK     1       3.391   7.490   1.760  1.00  0.00           O  
HETATM   25  C   UNK     1       4.755   5.113   1.158  1.00  0.00           C  
HETATM   26  S   UNK     1       5.190   3.553   0.609  1.00  0.00           S  
HETATM   27  N   UNK     1       1.847   1.941  -1.202  1.00  0.00           N  
HETATM   28  C   UNK     1       0.647   0.111  -2.401  1.00  0.00           C  
HETATM   29  C   UNK     1      -0.284  -1.133  -4.237  1.00  0.00           C  
HETATM   30  C   UNK     1      -1.536  -1.063  -3.654  1.00  0.00           C  
HETATM   31  F   UNK     1      -2.598  -1.634  -4.264  1.00  0.00           F  
HETATM   32  C   UNK     1      -1.705  -0.403  -2.435  1.00  0.00           C  
HETATM   33  C   UNK     1      -3.048  -0.328  -1.809  1.00  0.00           C  
HETATM   34  C   UNK     1      -4.145   0.095  -2.557  1.00  0.00           C  
HETATM   35  C   UNK     1      -5.392   0.163  -1.973  1.00  0.00           C  
HETATM   36  C   UNK     1      -5.556  -0.189  -0.640  1.00  0.00           C  
HETATM   37  O   UNK     1      -6.786  -0.122  -0.067  1.00  0.00           O  
HETATM   38  C   UNK     1      -7.037   0.905   0.777  1.00  0.00           C  
HETATM   39  N   UNK     1      -6.223   1.951   1.045  1.00  0.00           N  
HETATM   40  N   UNK     1      -6.893   2.763   1.971  1.00  0.00           N  
HETATM   41  N   UNK     1      -8.035   2.234   2.237  1.00  0.00           N  
HETATM   42  C   UNK     1      -8.185   1.097   1.533  1.00  0.00           C  
HETATM   43  C   UNK     1      -9.356   0.212   1.562  1.00  0.00           C  
HETATM   44  O   UNK     1     -10.411   0.516   2.345  1.00  0.00           O  
HETATM   45  O   UNK     1      -9.375  -0.794   0.880  1.00  0.00           O  
HETATM   46  C   UNK     1      -4.465  -0.612   0.108  1.00  0.00           C  
HETATM   47  C   UNK     1      -3.216  -0.687  -0.472  1.00  0.00           C  
HETATM   48  C   UNK     1      -0.609   0.180  -1.806  1.00  0.00           C  
HETATM   49  C   UNK     1       3.979  -2.748  -0.139  1.00  0.00           C  
HETATM   50  C   UNK     1       3.578  -3.693   0.790  1.00  0.00           C  
HETATM   51  F   UNK     1       4.466  -4.184   1.681  1.00  0.00           F  
HETATM   52  H   UNK     1       4.559   0.684   1.535  1.00  0.00           H  
HETATM   53  H   UNK     1       7.639   0.669   0.945  1.00  0.00           H  
HETATM   54  H   UNK     1       6.854   0.640   2.614  1.00  0.00           H  
HETATM   55  H   UNK     1       1.779  -0.604  -4.080  1.00  0.00           H  
HETATM   56  H   UNK     1       2.202  -7.394   1.018  1.00  0.00           H  
HETATM   57  H   UNK     1       3.441  -6.915   2.047  1.00  0.00           H  
HETATM   58  H   UNK     1       0.338  -3.986  -0.106  1.00  0.00           H  
HETATM   59  H   UNK     1       1.051  -2.298  -1.751  1.00  0.00           H  
HETATM   60  H   UNK     1       3.034  -1.421  -3.018  1.00  0.00           H  
HETATM   61  H   UNK     1       4.588  -1.246  -2.168  1.00  0.00           H  
HETATM   62  H   UNK     1       5.866   1.773  -0.685  1.00  0.00           H  
HETATM   63  H   UNK     1       5.757   0.070  -1.191  1.00  0.00           H  
HETATM   64  H   UNK     1       5.686  -1.534   2.028  1.00  0.00           H  
HETATM   65  H   UNK     1       6.471  -1.505   0.359  1.00  0.00           H  
HETATM   66  H   UNK     1       1.095   7.644   1.068  1.00  0.00           H  
HETATM   67  H   UNK     1       5.408   5.798   1.678  1.00  0.00           H  
HETATM   68  H   UNK     1      -0.157  -1.644  -5.180  1.00  0.00           H  
HETATM   69  H   UNK     1      -4.018   0.370  -3.594  1.00  0.00           H  
HETATM   70  H   UNK     1      -6.242   0.491  -2.553  1.00  0.00           H  
HETATM   71  H   UNK     1      -5.343   2.109   0.669  1.00  0.00           H  
HETATM   72  H   UNK     1     -11.159  -0.097   2.330  1.00  0.00           H  
HETATM   73  H   UNK     1      -4.595  -0.885   1.145  1.00  0.00           H  
HETATM   74  H   UNK     1      -2.369  -1.019   0.109  1.00  0.00           H  
HETATM   75  H   UNK     1      -0.735   0.692  -0.863  1.00  0.00           H  
HETATM   76  H   UNK     1       5.001  -2.400  -0.149  1.00  0.00           H  
CONECT    1   16    6   17   17                                       
CONECT    2   18    3   19   52                                       
CONECT    3    2   19   53   54                                       
CONECT    4   20   21   21   26                                       
CONECT    5   24   24   22   23                                       
CONECT    6   28    1   27   27                                       
CONECT    7   29   28   28   55                                       
CONECT    8    9   56   57                                            
CONECT    9    8   10   10   12                                       
CONECT    9   11   11                                                 
CONECT   10    9    9                                                 
CONECT   11    9    9                                                 
CONECT   12   50    9   13   13                                       
CONECT   13   12   12   14   58                                       
CONECT   14   15   15   13   59                                       
CONECT   15   49   16   14   14                                       
CONECT   16   15    1   60   61                                       
CONECT   17    1    1   18   20                                       
CONECT   18   17    2   62   63                                       
CONECT   19    2    3   64   65                                       
CONECT   20   17   27    4                                            
CONECT   21    4    4   22                                            
CONECT   22   21    5   25   25                                       
CONECT   23    5   66                                                 
CONECT   24    5    5                                                 
CONECT   25   22   22   26   67                                       
CONECT   26    4   25                                                 
CONECT   27    6    6   20                                            
CONECT   28    7    7   48    6                                       
CONECT   29   30   30    7   68                                       
CONECT   30   31   29   29   32                                       
CONECT   31   30                                                      
CONECT   32   30   33   48   48                                       
CONECT   33   32   47   47   34                                       
CONECT   34   33   35   35   69                                       
CONECT   35   34   34   36   70                                       
CONECT   36   46   46   37   35                                       
CONECT   37   36   38                                                 
CONECT   38   37   42   42   39                                       
CONECT   39   38   40   71                                            
CONECT   40   39   41   41                                            
CONECT   41   42   40   40                                            
CONECT   42   43   38   38   41                                       
CONECT   43   45   45   42   44                                       
CONECT   44   43   72                                                 
CONECT   45   43   43                                                 
CONECT   46   47   36   36   73                                       
CONECT   47   33   33   46   74                                       
CONECT   48   32   32   28   75                                       
CONECT   49   50   50   15   76                                       
CONECT   50   51   49   49   12                                       
CONECT   51   50                                                      
CONECT   52    2                                                      
CONECT   53    3                                                      
CONECT   54    3                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57    8                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   19                                                      
CONECT   66   23                                                      
CONECT   67   25                                                      
CONECT   68   29                                                      
CONECT   69   34                                                      
CONECT   70   35                                                      
CONECT   71   39                                                      
CONECT   72   44                                                      
CONECT   73   46                                                      
CONECT   74   47                                                      
CONECT   75   48                                                      
CONECT   76   49                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
