COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.980   4.898   0.964  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.334   4.696   0.777  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.897   3.465   1.068  1.00  0.00           C  
HETATM    4  F   UNL     1      -6.221   3.267   0.885  1.00  0.00           F  
HETATM    5  C   UNL     1      -4.102   2.437   1.545  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.748   2.640   1.731  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.186   3.869   1.436  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.709   4.090   1.639  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.432   4.349   3.121  1.00  0.00           C  
HETATM   10  N   UNL     1       0.027   2.899   1.205  1.00  0.00           N  
HETATM   11  C   UNL     1       1.311   3.007   0.813  1.00  0.00           C  
HETATM   12  O   UNL     1       1.860   4.092   0.819  1.00  0.00           O  
HETATM   13  C   UNL     1       2.054   1.806   0.375  1.00  0.00           C  
HETATM   14  C   UNL     1       1.427   0.562   0.368  1.00  0.00           C  
HETATM   15  C   UNL     1       3.383   1.918  -0.037  1.00  0.00           C  
HETATM   16  C   UNL     1       4.081   0.791  -0.447  1.00  0.00           C  
HETATM   17  N   UNL     1       5.411   0.906  -0.859  1.00  0.00           N  
HETATM   18  C   UNL     1       6.459   0.145  -0.174  1.00  0.00           C  
HETATM   19  S   UNL     1       5.804   1.904  -2.121  1.00  0.00           S  
HETATM   20  C   UNL     1       6.315   3.455  -1.330  1.00  0.00           C  
HETATM   21  O   UNL     1       6.916   1.269  -2.737  1.00  0.00           O  
HETATM   22  O   UNL     1       4.581   2.081  -2.822  1.00  0.00           O  
HETATM   23  C   UNL     1       3.461  -0.450  -0.450  1.00  0.00           C  
HETATM   24  C   UNL     1       2.130  -0.567  -0.045  1.00  0.00           C  
HETATM   25  C   UNL     1       1.470  -1.891  -0.047  1.00  0.00           C  
HETATM   26  O   UNL     1       2.086  -2.876  -0.403  1.00  0.00           O  
HETATM   27  N   UNL     1       0.185  -2.003   0.344  1.00  0.00           N  
HETATM   28  C   UNL     1      -0.469  -3.314   0.341  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.159  -4.042   1.651  1.00  0.00           C  
HETATM   30  C   UNL     1       1.317  -4.334   1.726  1.00  0.00           C  
HETATM   31  C   UNL     1       2.175  -3.415   2.303  1.00  0.00           C  
HETATM   32  C   UNL     1       3.529  -3.682   2.372  1.00  0.00           C  
HETATM   33  C   UNL     1       4.026  -4.868   1.864  1.00  0.00           C  
HETATM   34  C   UNL     1       3.169  -5.786   1.287  1.00  0.00           C  
HETATM   35  C   UNL     1       1.814  -5.522   1.224  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.982  -3.129   0.206  1.00  0.00           C  
HETATM   37  O   UNL     1      -2.467  -2.357   1.306  1.00  0.00           O  
HETATM   38  C   UNL     1      -2.292  -2.401  -1.103  1.00  0.00           C  
HETATM   39  N   UNL     1      -3.743  -2.329  -1.291  1.00  0.00           N  
HETATM   40  C   UNL     1      -4.461  -1.201  -1.495  1.00  0.00           C  
HETATM   41  N   UNL     1      -4.554  -3.329  -1.294  1.00  0.00           N  
HETATM   42  N   UNL     1      -5.758  -2.923  -1.489  1.00  0.00           N  
HETATM   43  C   UNL     1      -5.752  -1.591  -1.615  1.00  0.00           C  
HETATM   44  C   UNL     1      -6.944  -0.702  -1.853  1.00  0.00           C  
HETATM   45  C   UNL     1      -7.692  -1.175  -3.101  1.00  0.00           C  
HETATM   46  O   UNL     1      -6.504   0.644  -2.043  1.00  0.00           O  
HETATM   47  H   UNL     1      -2.541   5.858   0.737  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.954   5.499   0.405  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.540   1.476   1.772  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.128   1.839   2.104  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.387   4.950   1.053  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.979   5.235   3.444  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.754   3.489   3.707  1.00  0.00           H  
HETATM   54  H   UNL     1       0.636   4.509   3.268  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.411   2.034   1.201  1.00  0.00           H  
HETATM   56  H   UNL     1       0.397   0.473   0.683  1.00  0.00           H  
HETATM   57  H   UNL     1       3.868   2.883  -0.036  1.00  0.00           H  
HETATM   58  H   UNL     1       6.583  -0.822  -0.661  1.00  0.00           H  
HETATM   59  H   UNL     1       7.398   0.697  -0.218  1.00  0.00           H  
HETATM   60  H   UNL     1       6.175  -0.007   0.868  1.00  0.00           H  
HETATM   61  H   UNL     1       7.169   3.266  -0.679  1.00  0.00           H  
HETATM   62  H   UNL     1       6.595   4.178  -2.096  1.00  0.00           H  
HETATM   63  H   UNL     1       5.489   3.851  -0.740  1.00  0.00           H  
HETATM   64  H   UNL     1       4.006  -1.325  -0.771  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.306  -1.217   0.628  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.099  -3.903  -0.498  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.449  -3.414   2.493  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.717  -4.978   1.687  1.00  0.00           H  
HETATM   69  H   UNL     1       1.786  -2.489   2.699  1.00  0.00           H  
HETATM   70  H   UNL     1       4.199  -2.965   2.822  1.00  0.00           H  
HETATM   71  H   UNL     1       5.085  -5.077   1.917  1.00  0.00           H  
HETATM   72  H   UNL     1       3.557  -6.715   0.895  1.00  0.00           H  
HETATM   73  H   UNL     1       1.144  -6.239   0.774  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.469  -4.104   0.204  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.076  -1.475   1.371  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.880  -1.393  -1.065  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.845  -2.945  -1.936  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.081  -0.191  -1.551  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.610  -0.748  -0.991  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.027  -1.129  -3.963  1.00  0.00           H  
HETATM   81  H   UNL     1      -8.028  -2.202  -2.956  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.555  -0.532  -3.274  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.221   1.273  -2.202  1.00  0.00           H  
CONECT    1    7    7    2   47                                       
CONECT    2    1    3    3   48                                       
CONECT    3    2    2    5    4                                       
CONECT    4    3                                                      
CONECT    5    6    6    3   49                                       
CONECT    6    7    5    5   50                                       
CONECT    7    8    1    1    6                                       
CONECT    8   10    9    7   51                                       
CONECT    9    8   52   53   54                                       
CONECT   10   11    8   55                                            
CONECT   11   12   12   13   10                                       
CONECT   12   11   11                                                 
CONECT   13   15   15   14   11                                       
CONECT   14   24   24   13   56                                       
CONECT   15   16   13   13   57                                       
CONECT   16   17   23   23   15                                       
CONECT   17   18   16   19                                            
CONECT   18   17   58   59   60                                       
CONECT   19   20   17   22   22                                       
CONECT   19   21   21                                                 
CONECT   20   19   61   62   63                                       
CONECT   21   19   19                                                 
CONECT   22   19   19                                                 
CONECT   23   16   16   24   64                                       
CONECT   24   23   25   14   14                                       
CONECT   25   26   26   24   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   28   65                                            
CONECT   28   27   29   36   66                                       
CONECT   29   30   28   67   68                                       
CONECT   30   35   29   31   31                                       
CONECT   31   30   30   32   69                                       
CONECT   32   33   33   31   70                                       
CONECT   33   34   32   32   71                                       
CONECT   34   35   35   33   72                                       
CONECT   35   34   34   30   73                                       
CONECT   36   28   38   37   74                                       
CONECT   37   36   75                                                 
CONECT   38   39   36   76   77                                       
CONECT   39   41   40   38                                            
CONECT   40   43   43   39   78                                       
CONECT   41   42   42   39                                            
CONECT   42   41   41   43                                            
CONECT   43   42   44   40   40                                       
CONECT   44   46   43   45   79                                       
CONECT   45   44   80   81   82                                       
CONECT   46   44   83                                                 
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53    9                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   23                                                      
CONECT   65   27                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   29                                                      
CONECT   69   31                                                      
CONECT   70   32                                                      
CONECT   71   33                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
CONECT   76   38                                                      
CONECT   77   38                                                      
CONECT   78   40                                                      
CONECT   79   44                                                      
CONECT   80   45                                                      
CONECT   81   45                                                      
CONECT   82   45                                                      
CONECT   83   46                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
