COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.146   2.437   0.238  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.308   1.746   0.079  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.616   2.102   0.685  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.738   1.314   0.449  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.983   2.849   1.851  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.933   0.312  -0.626  1.00  0.00           C  
HETATM    7  N   UNL     1      -9.528  -2.005  -0.491  1.00  0.00           N  
HETATM    8  C   UNL     1     -10.038  -3.178  -0.914  1.00  0.00           C  
HETATM    9  C   UNL     1     -11.326  -3.201  -1.697  1.00  0.00           C  
HETATM   10  C   UNL     1     -11.681  -4.646  -2.052  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.075   0.691  -0.714  1.00  0.00           N  
HETATM   12  C   UNL     1      -4.944   1.695   1.043  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.286  -1.838   0.278  1.00  0.00           C  
HETATM   14  C   UNL     1     -10.122  -0.676  -0.723  1.00  0.00           C  
HETATM   15  C   UNL     1       4.343   1.705  -1.513  1.00  0.00           C  
HETATM   16  C   UNL     1       4.822   2.843  -0.878  1.00  0.00           C  
HETATM   17  C   UNL     1       3.972   3.621  -0.114  1.00  0.00           C  
HETATM   18  C   UNL     1       2.641   3.269   0.020  1.00  0.00           C  
HETATM   19  C   UNL     1       2.155   2.130  -0.613  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.733   3.230   1.503  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.300   1.148   1.037  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.090  -0.325   0.510  1.00  0.00           C  
HETATM   23  C   UNL     1       3.005   1.351  -1.385  1.00  0.00           C  
HETATM   24  C   UNL     1       6.776  -0.032  -0.237  1.00  0.00           C  
HETATM   25  C   UNL     1       6.751   0.754   0.901  1.00  0.00           C  
HETATM   26  C   UNL     1       6.739   0.167   2.154  1.00  0.00           C  
HETATM   27  C   UNL     1       6.752  -1.208   2.274  1.00  0.00           C  
HETATM   28  C   UNL     1       6.777  -2.004   1.131  1.00  0.00           C  
HETATM   29  C   UNL     1       6.792  -3.483   1.254  1.00  0.00           C  
HETATM   30  C   UNL     1       6.823  -4.280   0.111  1.00  0.00           C  
HETATM   31  C   UNL     1       6.837  -5.655   0.231  1.00  0.00           C  
HETATM   32  C   UNL     1       6.819  -6.242   1.483  1.00  0.00           C  
HETATM   33  C   UNL     1       6.788  -5.456   2.621  1.00  0.00           C  
HETATM   34  C   UNL     1       6.780  -4.080   2.513  1.00  0.00           C  
HETATM   35  C   UNL     1       6.790  -1.407  -0.128  1.00  0.00           C  
HETATM   36  F   UNL     1       1.814   4.031   0.768  1.00  0.00           F  
HETATM   37  F   UNL     1       2.536   0.244  -2.001  1.00  0.00           F  
HETATM   38  N   UNL     1       5.205   0.919  -2.287  1.00  0.00           N  
HETATM   39  N   UNL     1       0.803   1.776  -0.480  1.00  0.00           N  
HETATM   40  N   UNL     1       0.163   0.674  -1.066  1.00  0.00           N  
HETATM   41  N   UNL     1      -3.880   3.563   2.049  1.00  0.00           N  
HETATM   42  N   UNL     1      -6.273   2.975   2.291  1.00  0.00           N  
HETATM   43  N   UNL     1      -7.042   1.926   1.778  1.00  0.00           N  
HETATM   44  O   UNL     1       7.313   2.032  -1.648  1.00  0.00           O  
HETATM   45  O   UNL     1      -6.713   0.032   0.380  1.00  0.00           O  
HETATM   46  O   UNL     1      -9.462  -4.216  -0.665  1.00  0.00           O  
HETATM   47  O   UNL     1       7.348  -0.226  -2.721  1.00  0.00           O  
HETATM   48  S   UNL     1       6.784   0.725  -1.828  1.00  0.00           S  
HETATM   49  H   UNL     1      -0.005   3.338   0.817  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.679   0.434  -0.175  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.372   0.342  -1.559  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.275   1.309  -0.346  1.00  0.00           H  
HETATM   53  H   UNL     1     -12.125  -2.768  -1.095  1.00  0.00           H  
HETATM   54  H   UNL     1     -11.205  -2.621  -2.612  1.00  0.00           H  
HETATM   55  H   UNL     1     -11.802  -5.226  -1.137  1.00  0.00           H  
HETATM   56  H   UNL     1     -12.613  -4.663  -2.618  1.00  0.00           H  
HETATM   57  H   UNL     1     -10.882  -5.079  -2.654  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.371  -2.352   1.235  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.444  -2.241  -0.285  1.00  0.00           H  
HETATM   60  H   UNL     1     -10.864  -0.453   0.043  1.00  0.00           H  
HETATM   61  H   UNL     1     -10.573  -0.630  -1.714  1.00  0.00           H  
HETATM   62  H   UNL     1       5.861   3.120  -0.981  1.00  0.00           H  
HETATM   63  H   UNL     1       4.348   4.505   0.378  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.862   3.839   1.691  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.475  -0.032   1.487  1.00  0.00           H  
HETATM   66  H   UNL     1       6.741   1.831   0.812  1.00  0.00           H  
HETATM   67  H   UNL     1       6.719   0.785   3.039  1.00  0.00           H  
HETATM   68  H   UNL     1       6.742  -1.666   3.252  1.00  0.00           H  
HETATM   69  H   UNL     1       6.837  -3.822  -0.867  1.00  0.00           H  
HETATM   70  H   UNL     1       6.861  -6.273  -0.654  1.00  0.00           H  
HETATM   71  H   UNL     1       6.830  -7.318   1.573  1.00  0.00           H  
HETATM   72  H   UNL     1       6.774  -5.920   3.596  1.00  0.00           H  
HETATM   73  H   UNL     1       6.760  -3.468   3.402  1.00  0.00           H  
HETATM   74  H   UNL     1       6.809  -2.020  -1.017  1.00  0.00           H  
HETATM   75  H   UNL     1       4.877   0.488  -3.091  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.603   3.681   2.869  1.00  0.00           H  
CONECT    1    2    2   39   49                                       
CONECT    2    3   11    1    1                                       
CONECT    3    4    4   20    2                                       
CONECT    4   12    3    3   50                                       
CONECT    5   42   12   12   41                                       
CONECT    6   22   14   51   52                                       
CONECT    7   13   14    8                                            
CONECT    8    7   46   46    9                                       
CONECT    9    8   10   53   54                                       
CONECT   10    9   55   56   57                                       
CONECT   11    2   40   40                                            
CONECT   12   21    5    5    4                                       
CONECT   13   22    7   58   59                                       
CONECT   14    6    7   60   61                                       
CONECT   15   23   38   16   16                                       
CONECT   16   15   15   17   62                                       
CONECT   17   18   18   16   63                                       
CONECT   18   19   36   17   17                                       
CONECT   19   39   23   23   18                                       
CONECT   20   41   41    3   64                                       
CONECT   21   43   43   45   12                                       
CONECT   22    6   13   45   65                                       
CONECT   23   37   19   19   15                                       
CONECT   24   25   48   35   35                                       
CONECT   25   26   26   24   66                                       
CONECT   26   25   25   27   67                                       
CONECT   27   26   28   28   68                                       
CONECT   28   27   27   35   29                                       
CONECT   29   28   34   34   30                                       
CONECT   30   29   31   31   69                                       
CONECT   31   30   30   32   70                                       
CONECT   32   33   33   31   71                                       
CONECT   33   34   32   32   72                                       
CONECT   34   29   29   33   73                                       
CONECT   35   24   24   28   74                                       
CONECT   36   18                                                      
CONECT   37   23                                                      
CONECT   38   15   48   75                                            
CONECT   39    1   40   19                                            
CONECT   40   11   11   39                                            
CONECT   41    5   20   20                                            
CONECT   42   43    5   76                                            
CONECT   43   42   21   21                                            
CONECT   44   48   48                                                 
CONECT   45   22   21                                                 
CONECT   46    8    8                                                 
CONECT   47   48   48                                                 
CONECT   48   38   47   47   24                                       
CONECT   48   44   44                                                 
CONECT   49    1                                                      
CONECT   50    4                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    9                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   10                                                      
CONECT   57   10                                                      
CONECT   58   13                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   14                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   20                                                      
CONECT   65   22                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   30                                                      
CONECT   70   31                                                      
CONECT   71   32                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   35                                                      
CONECT   75   38                                                      
CONECT   76   42                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
