COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.698   3.893   2.356  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.642   3.145   1.023  1.00  0.00           C  
HETATM    3  S   UNL     1       0.001   0.333  -0.002  1.00  0.00           S  
HETATM    4  C   UNL     1      -2.681   0.655  -0.436  1.00  0.00           C  
HETATM    5  N   UNL     1      -7.045   0.306  -1.356  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.963   2.405   0.797  1.00  0.00           C  
HETATM    7  C   UNL     1       2.643   3.149  -1.018  1.00  0.00           C  
HETATM    8  C   UNL     1       3.964   2.409  -0.794  1.00  0.00           C  
HETATM    9  N   UNL     1       7.049   0.308   1.348  1.00  0.00           N  
HETATM   10  C   UNL     1       2.683   0.655   0.433  1.00  0.00           C  
HETATM   11  N   UNL     1       5.110   0.839   0.695  1.00  0.00           N  
HETATM   12  C   UNL     1       2.698   3.901  -2.349  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.513   4.676   2.513  1.00  0.00           O  
HETATM   14  O   UNL     1      -1.568   2.202   1.051  1.00  0.00           O  
HETATM   15  O   UNL     1      -4.202   1.510   1.885  1.00  0.00           O  
HETATM   16  C   UNL     1      -3.877   1.610  -0.510  1.00  0.00           C  
HETATM   17  N   UNL     1      -5.109   0.839  -0.697  1.00  0.00           N  
HETATM   18  N   UNL     1      -6.127   1.206  -1.392  1.00  0.00           N  
HETATM   19  C   UNL     1      -6.617  -0.718  -0.596  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.367  -0.378  -0.168  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.358  -1.967  -0.285  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.636  -2.168  -0.801  1.00  0.00           C  
HETATM   23  C   UNL     1      -9.320  -3.330  -0.509  1.00  0.00           C  
HETATM   24  F   UNL     1      -9.412  -5.432   0.579  1.00  0.00           F  
HETATM   25  C   UNL     1      -8.739  -4.296   0.296  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.468  -4.100   0.811  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.774  -2.943   0.519  1.00  0.00           C  
HETATM   28  O   UNL     1      -2.548  -0.041  -1.677  1.00  0.00           O  
HETATM   29  C   UNL     1      -1.410   1.462  -0.162  1.00  0.00           C  
HETATM   30  C   UNL     1       1.411   1.462   0.162  1.00  0.00           C  
HETATM   31  O   UNL     1       1.569   2.206  -1.049  1.00  0.00           O  
HETATM   32  O   UNL     1       1.513   4.683  -2.504  1.00  0.00           O  
HETATM   33  O   UNL     1       2.550  -0.044   1.672  1.00  0.00           O  
HETATM   34  C   UNL     1       3.878   1.610   0.510  1.00  0.00           C  
HETATM   35  O   UNL     1       4.203   1.518  -1.885  1.00  0.00           O  
HETATM   36  N   UNL     1       6.132   1.208   1.385  1.00  0.00           N  
HETATM   37  C   UNL     1       6.618  -0.719   0.593  1.00  0.00           C  
HETATM   38  C   UNL     1       5.366  -0.380   0.169  1.00  0.00           C  
HETATM   39  C   UNL     1       7.356  -1.969   0.284  1.00  0.00           C  
HETATM   40  C   UNL     1       8.637  -2.169   0.795  1.00  0.00           C  
HETATM   41  C   UNL     1       9.319  -3.333   0.505  1.00  0.00           C  
HETATM   42  C   UNL     1       8.734  -4.301  -0.294  1.00  0.00           C  
HETATM   43  C   UNL     1       7.461  -4.106  -0.806  1.00  0.00           C  
HETATM   44  C   UNL     1       6.769  -2.948  -0.515  1.00  0.00           C  
HETATM   45  F   UNL     1       9.406  -5.438  -0.577  1.00  0.00           F  
HETATM   46  H   UNL     1      -3.570   4.547   2.369  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.770   3.175   3.173  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.480   3.856   0.213  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.838  -0.062   0.370  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.778   3.126   0.732  1.00  0.00           H  
HETATM   51  H   UNL     1       2.481   3.858  -0.206  1.00  0.00           H  
HETATM   52  H   UNL     1       4.779   3.130  -0.727  1.00  0.00           H  
HETATM   53  H   UNL     1       2.839  -0.061  -0.374  1.00  0.00           H  
HETATM   54  H   UNL     1       3.569   4.557  -2.359  1.00  0.00           H  
HETATM   55  H   UNL     1       2.772   3.186  -3.168  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.480   5.179   3.338  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.263   1.946   2.746  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.745   2.295  -1.347  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.716  -0.963   0.465  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.090  -1.416  -1.428  1.00  0.00           H  
HETATM   61  H   UNL     1     -10.311  -3.487  -0.909  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.017  -4.855   1.438  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.781  -2.793   0.918  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.808  -0.663  -1.702  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.232   2.151  -0.988  1.00  0.00           H  
HETATM   66  H   UNL     1       1.233   2.149   0.989  1.00  0.00           H  
HETATM   67  H   UNL     1       1.479   5.189  -3.328  1.00  0.00           H  
HETATM   68  H   UNL     1       1.809  -0.665   1.696  1.00  0.00           H  
HETATM   69  H   UNL     1       3.745   2.294   1.349  1.00  0.00           H  
HETATM   70  H   UNL     1       4.265   1.956  -2.745  1.00  0.00           H  
HETATM   71  H   UNL     1       4.712  -0.967  -0.459  1.00  0.00           H  
HETATM   72  H   UNL     1       9.094  -1.415   1.418  1.00  0.00           H  
HETATM   73  H   UNL     1      10.312  -3.489   0.901  1.00  0.00           H  
HETATM   74  H   UNL     1       7.008  -4.863  -1.429  1.00  0.00           H  
HETATM   75  H   UNL     1       5.774  -2.799  -0.909  1.00  0.00           H  
CONECT    1    2   13   46   47                                       
CONECT    2    6   14    1   48                                       
CONECT    3   29   30                                                 
CONECT    4   28   16   29   49                                       
CONECT    5   18   18   19                                            
CONECT    6   16    2   15   50                                       
CONECT    7   12   31    8   51                                       
CONECT    8    7   35   34   52                                       
CONECT    9   36   36   37                                            
CONECT   10   30   34   33   53                                       
CONECT   11   34   36   38                                            
CONECT   12   32    7   54   55                                       
CONECT   13    1   56                                                 
CONECT   14   29    2                                                 
CONECT   15    6   57                                                 
CONECT   16   17    4    6   58                                       
CONECT   17   18   16   20                                            
CONECT   18    5    5   17                                            
CONECT   19    5   20   20   21                                       
CONECT   20   17   19   19   59                                       
CONECT   21   19   27   27   22                                       
CONECT   22   21   23   23   60                                       
CONECT   23   22   22   25   61                                       
CONECT   24   25                                                      
CONECT   25   26   26   23   24                                       
CONECT   26   27   25   25   62                                       
CONECT   27   21   21   26   63                                       
CONECT   28    4   64                                                 
CONECT   29    4    3   14   65                                       
CONECT   30   31    3   10   66                                       
CONECT   31    7   30                                                 
CONECT   32   12   67                                                 
CONECT   33   10   68                                                 
CONECT   34    8   10   11   69                                       
CONECT   35    8   70                                                 
CONECT   36   11    9    9                                            
CONECT   37   38   38    9   39                                       
CONECT   38   11   37   37   71                                       
CONECT   39   37   40   40   44                                       
CONECT   40   39   39   41   72                                       
CONECT   41   40   42   42   73                                       
CONECT   42   41   41   43   45                                       
CONECT   43   44   44   42   74                                       
CONECT   44   39   43   43   75                                       
CONECT   45   42                                                      
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    4                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53   10                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   20                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   32                                                      
CONECT   68   33                                                      
CONECT   69   34                                                      
CONECT   70   35                                                      
CONECT   71   38                                                      
CONECT   72   40                                                      
CONECT   73   41                                                      
CONECT   74   43                                                      
CONECT   75   44                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
