COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.789   0.385  -1.495  1.00  0.00           C  
HETATM    2  C   UNL     1       1.785   1.399  -1.070  1.00  0.00           C  
HETATM    3  C   UNL     1       3.905   1.943  -0.082  1.00  0.00           C  
HETATM    4  C   UNL     1       2.981   0.998  -0.477  1.00  0.00           C  
HETATM    5  C   UNL     1       4.321  -0.782   2.296  1.00  0.00           C  
HETATM    6  C   UNL     1       5.027  -1.979   2.942  1.00  0.00           C  
HETATM    7  C   UNL     1       7.192  -3.007   3.284  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.435  -0.516  -1.410  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.242   0.537  -0.001  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.771  -0.508  -0.942  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.947  -2.455  -2.678  1.00  0.00           N  
HETATM   12  C   UNL     1       1.168  -0.630  -2.390  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.180  -2.400  -2.210  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.480  -0.578   0.261  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.091   1.412   1.460  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.486   0.922   1.766  1.00  0.00           C  
HETATM   17  N   UNL     1       4.565  -0.823   0.846  1.00  0.00           N  
HETATM   18  C   UNL     1       1.530   2.755  -1.267  1.00  0.00           C  
HETATM   19  C   UNL     1       2.460   3.695  -0.869  1.00  0.00           C  
HETATM   20  C   UNL     1       3.647   3.290  -0.275  1.00  0.00           C  
HETATM   21  S   UNL     1       3.312  -0.715  -0.230  1.00  0.00           S  
HETATM   22  O   UNL     1       2.172  -1.254   0.426  1.00  0.00           O  
HETATM   23  O   UNL     1       3.802  -1.211  -1.468  1.00  0.00           O  
HETATM   24  F   UNL     1       2.215   5.010  -1.060  1.00  0.00           F  
HETATM   25  F   UNL     1       4.555   4.212   0.113  1.00  0.00           F  
HETATM   26  N   UNL     1       6.443  -1.978   2.551  1.00  0.00           N  
HETATM   27  C   UNL     1       6.594  -2.150   1.100  1.00  0.00           C  
HETATM   28  C   UNL     1       5.953  -0.961   0.378  1.00  0.00           C  
HETATM   29  N   UNL     1      -4.482   0.464   0.522  1.00  0.00           N  
HETATM   30  O   UNL     1      -2.509   1.459   0.299  1.00  0.00           O  
HETATM   31  C   UNL     1      -1.043  -1.542  -2.311  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.503   0.444  -1.003  1.00  0.00           C  
HETATM   33  N   UNL     1      -3.590  -1.459  -1.367  1.00  0.00           N  
HETATM   34  C   UNL     1       0.277  -1.574  -2.792  1.00  0.00           C  
HETATM   35  N   UNL     1      -4.085  -3.365  -2.616  1.00  0.00           N  
HETATM   36  C   UNL     1      -6.713  -0.245   1.063  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.930  -0.895   1.176  1.00  0.00           C  
HETATM   38  C   UNL     1      -8.918  -0.377   1.991  1.00  0.00           C  
HETATM   39  C   UNL     1      -8.692   0.791   2.695  1.00  0.00           C  
HETATM   40  C   UNL     1      -7.477   1.439   2.583  1.00  0.00           C  
HETATM   41  H   UNL     1       4.832   1.632   0.377  1.00  0.00           H  
HETATM   42  H   UNL     1       3.250  -0.840   2.489  1.00  0.00           H  
HETATM   43  H   UNL     1       4.718   0.145   2.711  1.00  0.00           H  
HETATM   44  H   UNL     1       4.949  -1.904   4.027  1.00  0.00           H  
HETATM   45  H   UNL     1       4.557  -2.903   2.606  1.00  0.00           H  
HETATM   46  H   UNL     1       6.769  -3.988   3.067  1.00  0.00           H  
HETATM   47  H   UNL     1       8.237  -2.985   2.975  1.00  0.00           H  
HETATM   48  H   UNL     1       7.125  -2.812   4.354  1.00  0.00           H  
HETATM   49  H   UNL     1       2.181  -0.660  -2.763  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.724  -0.598  -0.801  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.090  -1.548   0.569  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.139   2.402   1.006  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.504   1.454   2.377  1.00  0.00           H  
HETATM   54  H   UNL     1       0.606   3.070  -1.730  1.00  0.00           H  
HETATM   55  H   UNL     1       7.654  -2.201   0.848  1.00  0.00           H  
HETATM   56  H   UNL     1       6.103  -3.072   0.790  1.00  0.00           H  
HETATM   57  H   UNL     1       5.960  -1.138  -0.698  1.00  0.00           H  
HETATM   58  H   UNL     1       6.509  -0.051   0.606  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.789   1.223  -0.312  1.00  0.00           H  
HETATM   60  H   UNL     1       0.583  -2.348  -3.481  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.809  -4.062  -3.231  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.997  -3.345  -2.285  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.107  -1.807   0.626  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.868  -0.885   2.078  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.464   1.196   3.332  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.300   2.351   3.133  1.00  0.00           H  
CONECT    1    2   12   12   32                                       
CONECT    2    4    4   18    1                                       
CONECT    3   20   20    4   41                                       
CONECT    4    3   21    2    2                                       
CONECT    5   17    6   42   43                                       
CONECT    6    5   26   44   45                                       
CONECT    7   26   46   47   48                                       
CONECT    8   32   32   31   10                                       
CONECT    9   10   29   30   30                                       
CONECT   10    8   33   33    9                                       
CONECT   11   31   13   13                                            
CONECT   12    1    1   34   49                                       
CONECT   13   11   11   33   35                                       
CONECT   14   29   36   50   51                                       
CONECT   15   16   29   52   53                                       
CONECT   16   40   15   36   36                                       
CONECT   17   21    5   28                                            
CONECT   18   19   19    2   54                                       
CONECT   19   20   24   18   18                                       
CONECT   20   25    3    3   19                                       
CONECT   21   22   22   23   23                                       
CONECT   21    4   17                                                 
CONECT   22   21   21                                                 
CONECT   23   21   21                                                 
CONECT   24   19                                                      
CONECT   25   20                                                      
CONECT   26    6   27    7                                            
CONECT   27   28   26   55   56                                       
CONECT   28   17   27   57   58                                       
CONECT   29   15    9   14                                            
CONECT   30    9    9                                                 
CONECT   31   34   34    8   11                                       
CONECT   32    1    8    8   59                                       
CONECT   33   10   10   13                                            
CONECT   34   12   31   31   60                                       
CONECT   35   13   61   62                                            
CONECT   36   16   16   37   14                                       
CONECT   37   38   38   36   63                                       
CONECT   38   39   37   37   64                                       
CONECT   39   40   40   38   65                                       
CONECT   40   39   39   16   66                                       
CONECT   41    3                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49   12                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   18                                                      
CONECT   55   27                                                      
CONECT   56   27                                                      
CONECT   57   28                                                      
CONECT   58   28                                                      
CONECT   59   32                                                      
CONECT   60   34                                                      
CONECT   61   35                                                      
CONECT   62   35                                                      
CONECT   63   37                                                      
CONECT   64   38                                                      
CONECT   65   39                                                      
CONECT   66   40                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
