COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.191  -3.148   0.481  1.00  0.00           C  
HETATM    2  S   UNL     1      -1.834  -2.607   0.146  1.00  0.00           S  
HETATM    3  O   UNL     1      -1.927  -2.455  -1.263  1.00  0.00           O  
HETATM    4  O   UNL     1      -2.696  -3.454   0.895  1.00  0.00           O  
HETATM    5  C   UNL     1       0.085  -3.838   1.646  1.00  0.00           C  
HETATM    6  C   UNL     1       1.375  -4.262   1.909  1.00  0.00           C  
HETATM    7  C   UNL     1       2.387  -3.995   1.007  1.00  0.00           C  
HETATM    8  C   UNL     1       2.111  -3.306  -0.159  1.00  0.00           C  
HETATM    9  C   UNL     1       3.215  -3.015  -1.143  1.00  0.00           C  
HETATM   10  F   UNL     1       4.419  -3.538  -0.660  1.00  0.00           F  
HETATM   11  F   UNL     1       2.910  -3.605  -2.374  1.00  0.00           F  
HETATM   12  F   UNL     1       3.340  -1.631  -1.307  1.00  0.00           F  
HETATM   13  C   UNL     1       0.821  -2.886  -0.424  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.993  -1.091   0.792  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.204   0.020   0.255  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.832   0.959   1.374  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.308   0.805   2.478  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.029   0.774  -0.790  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.296   1.328  -0.137  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.181   1.974  -1.206  1.00  0.00           C  
HETATM   21  N   UNL     1      -5.394   2.505  -0.580  1.00  0.00           N  
HETATM   22  C   UNL     1      -6.561   2.035  -0.919  1.00  0.00           C  
HETATM   23  N   UNL     1      -7.706   2.618  -0.429  1.00  0.00           N  
HETATM   24  N   UNL     1      -6.648   0.957  -1.768  1.00  0.00           N  
HETATM   25  N   UNL     1       0.029   1.971   1.146  1.00  0.00           N  
HETATM   26  C   UNL     1       0.503   2.821   2.249  1.00  0.00           C  
HETATM   27  C   UNL     1       2.033   2.881   2.195  1.00  0.00           C  
HETATM   28  N   UNL     1       2.456   3.308   0.854  1.00  0.00           N  
HETATM   29  C   UNL     1       2.049   2.336  -0.168  1.00  0.00           C  
HETATM   30  C   UNL     1       0.524   2.250  -0.210  1.00  0.00           C  
HETATM   31  C   UNL     1       3.905   3.544   0.810  1.00  0.00           C  
HETATM   32  C   UNL     1       4.272   4.220  -0.512  1.00  0.00           C  
HETATM   33  C   UNL     1       5.781   4.466  -0.558  1.00  0.00           C  
HETATM   34  N   UNL     1       6.133   5.115  -1.828  1.00  0.00           N  
HETATM   35  H   UNL     1      -0.706  -4.046   2.351  1.00  0.00           H  
HETATM   36  H   UNL     1       1.591  -4.801   2.820  1.00  0.00           H  
HETATM   37  H   UNL     1       3.395  -4.326   1.213  1.00  0.00           H  
HETATM   38  H   UNL     1       0.604  -2.350  -1.336  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.609  -0.938   1.526  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.298  -0.369  -0.209  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.439   1.596  -1.195  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.304   0.093  -1.596  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.842   0.517   0.345  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.023   2.075   0.609  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.635   2.785  -1.687  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.453   1.227  -1.951  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.645   3.378   0.170  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.575   2.268  -0.682  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.847   0.468  -2.015  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.510   0.685  -2.120  1.00  0.00           H  
HETATM   51  H   UNL     1       0.093   3.825   2.139  1.00  0.00           H  
HETATM   52  H   UNL     1       0.186   2.396   3.201  1.00  0.00           H  
HETATM   53  H   UNL     1       2.396   3.593   2.935  1.00  0.00           H  
HETATM   54  H   UNL     1       2.443   1.894   2.408  1.00  0.00           H  
HETATM   55  H   UNL     1       2.424   2.653  -1.141  1.00  0.00           H  
HETATM   56  H   UNL     1       2.459   1.356   0.078  1.00  0.00           H  
HETATM   57  H   UNL     1       0.222   1.447  -0.883  1.00  0.00           H  
HETATM   58  H   UNL     1       0.117   3.198  -0.561  1.00  0.00           H  
HETATM   59  H   UNL     1       4.194   4.189   1.640  1.00  0.00           H  
HETATM   60  H   UNL     1       4.431   2.592   0.889  1.00  0.00           H  
HETATM   61  H   UNL     1       3.983   3.576  -1.342  1.00  0.00           H  
HETATM   62  H   UNL     1       3.746   5.172  -0.591  1.00  0.00           H  
HETATM   63  H   UNL     1       6.070   5.110   0.272  1.00  0.00           H  
HETATM   64  H   UNL     1       6.307   3.514  -0.479  1.00  0.00           H  
HETATM   65  H   UNL     1       5.610   5.969  -1.955  1.00  0.00           H  
HETATM   66  H   UNL     1       7.126   5.288  -1.883  1.00  0.00           H  
CONECT    1    2    5    5   13                                       
CONECT    2    1   14    3    3                                       
CONECT    2    4    4                                                 
CONECT    3    2    2                                                 
CONECT    4    2    2                                                 
CONECT    5    1    1    6   35                                       
CONECT    6    5    7    7   36                                       
CONECT    7    6    6    8   37                                       
CONECT    8    7    9   13   13                                       
CONECT    9    8   10   11   12                                       
CONECT   10    9                                                      
CONECT   11    9                                                      
CONECT   12    9                                                      
CONECT   13    1    8    8   38                                       
CONECT   14    2   15   39                                            
CONECT   15   14   16   18   40                                       
CONECT   16   15   17   17   25                                       
CONECT   17   16   16                                                 
CONECT   18   15   19   41   42                                       
CONECT   19   18   20   43   44                                       
CONECT   20   19   21   45   46                                       
CONECT   21   20   22   22                                            
CONECT   22   21   21   24   23                                       
CONECT   23   22   47   48                                            
CONECT   24   22   49   50                                            
CONECT   25   16   26   30                                            
CONECT   26   25   27   51   52                                       
CONECT   27   26   28   53   54                                       
CONECT   28   27   29   31                                            
CONECT   29   28   30   55   56                                       
CONECT   30   25   29   57   58                                       
CONECT   31   28   32   59   60                                       
CONECT   32   31   33   61   62                                       
CONECT   33   32   34   63   64                                       
CONECT   34   33   65   66                                            
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   27                                                      
CONECT   55   29                                                      
CONECT   56   29                                                      
CONECT   57   30                                                      
CONECT   58   30                                                      
CONECT   59   31                                                      
CONECT   60   31                                                      
CONECT   61   32                                                      
CONECT   62   32                                                      
CONECT   63   33                                                      
CONECT   64   33                                                      
CONECT   65   34                                                      
CONECT   66   34                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
