COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.499   1.461   0.985  1.00  0.00           C  
HETATM    2  C   UNL     1       4.357   0.678  -0.295  1.00  0.00           C  
HETATM    3  C   UNL     1       4.537   2.872   1.005  1.00  0.00           C  
HETATM    4  C   UNL     1       3.980   1.638  -1.394  1.00  0.00           C  
HETATM    5  C   UNL     1       4.046   2.979  -1.254  1.00  0.00           C  
HETATM    6  O   UNL     1      -4.707   2.038   1.573  1.00  0.00           O  
HETATM    7  S   UNL     1      -4.747   0.731   1.018  1.00  0.00           S  
HETATM    8  O   UNL     1      -5.396  -0.363   1.651  1.00  0.00           O  
HETATM    9  N   UNL     1      -5.436   0.880  -0.481  1.00  0.00           N  
HETATM   10  C   UNL     1      -5.391   2.164  -1.183  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.091  -0.273  -1.104  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.569  -0.228  -0.815  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.422   0.431  -1.681  1.00  0.00           C  
HETATM   14  C   UNL     1      -9.778   0.473  -1.416  1.00  0.00           C  
HETATM   15  C   UNL     1     -10.282  -0.144  -0.286  1.00  0.00           C  
HETATM   16  C   UNL     1      -9.429  -0.803   0.579  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.073  -0.850   0.312  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.072   0.242   0.775  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.086   1.203   0.643  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.772   0.825   0.453  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.747  -1.102   0.724  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.436  -1.490   0.534  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.439  -0.527   0.395  1.00  0.00           C  
HETATM   24  C   UNL     1       0.972  -0.938   0.191  1.00  0.00           C  
HETATM   25  C   UNL     1       1.305  -2.291   0.139  1.00  0.00           C  
HETATM   26  C   UNL     1       2.619  -2.668  -0.051  1.00  0.00           C  
HETATM   27  C   UNL     1       2.980  -4.130  -0.109  1.00  0.00           C  
HETATM   28  F   UNL     1       3.564  -4.417  -1.348  1.00  0.00           F  
HETATM   29  F   UNL     1       3.888  -4.426   0.914  1.00  0.00           F  
HETATM   30  F   UNL     1       1.826  -4.903   0.054  1.00  0.00           F  
HETATM   31  C   UNL     1       3.604  -1.707  -0.189  1.00  0.00           C  
HETATM   32  C   UNL     1       1.967   0.025   0.046  1.00  0.00           C  
HETATM   33  C   UNL     1       3.279  -0.364  -0.138  1.00  0.00           C  
HETATM   34  C   UNL     1       5.686  -0.002  -0.634  1.00  0.00           C  
HETATM   35  C   UNL     1       5.572  -0.692  -1.995  1.00  0.00           C  
HETATM   36  C   UNL     1       6.797   1.049  -0.687  1.00  0.00           C  
HETATM   37  C   UNL     1       3.532   1.104  -2.644  1.00  0.00           C  
HETATM   38  N   UNL     1       3.177   0.679  -3.636  1.00  0.00           N  
HETATM   39  N   UNL     1       3.681   3.752  -2.328  1.00  0.00           N  
HETATM   40  C   UNL     1       4.612   1.023   2.249  1.00  0.00           C  
HETATM   41  C   UNL     1       4.623  -0.417   2.694  1.00  0.00           C  
HETATM   42  N   UNL     1       4.716   2.108   3.051  1.00  0.00           N  
HETATM   43  N   UNL     1       4.667   3.255   2.242  1.00  0.00           N  
HETATM   44  O   UNL     1       4.445   3.612  -0.133  1.00  0.00           O  
HETATM   45  H   UNL     1      -4.489   2.213  -1.794  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.268   2.260  -1.823  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.381   2.976  -0.456  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.930  -0.244  -2.181  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.670  -1.193  -0.698  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.029   0.914  -2.563  1.00  0.00           H  
HETATM   51  H   UNL     1     -10.445   0.989  -2.092  1.00  0.00           H  
HETATM   52  H   UNL     1     -11.341  -0.111  -0.079  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.822  -1.285   1.462  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.407  -1.365   0.988  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.344   2.250   0.687  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.002   1.576   0.349  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.520  -1.848   0.832  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.183  -2.540   0.494  1.00  0.00           H  
HETATM   59  H   UNL     1       0.536  -3.042   0.246  1.00  0.00           H  
HETATM   60  H   UNL     1       4.631  -2.007  -0.337  1.00  0.00           H  
HETATM   61  H   UNL     1       1.714   1.074   0.082  1.00  0.00           H  
HETATM   62  H   UNL     1       5.921  -0.742   0.131  1.00  0.00           H  
HETATM   63  H   UNL     1       5.468   0.060  -2.776  1.00  0.00           H  
HETATM   64  H   UNL     1       6.469  -1.285  -2.177  1.00  0.00           H  
HETATM   65  H   UNL     1       4.699  -1.345  -1.999  1.00  0.00           H  
HETATM   66  H   UNL     1       7.743   0.565  -0.928  1.00  0.00           H  
HETATM   67  H   UNL     1       6.561   1.789  -1.451  1.00  0.00           H  
HETATM   68  H   UNL     1       6.878   1.541   0.283  1.00  0.00           H  
HETATM   69  H   UNL     1       3.389   3.331  -3.152  1.00  0.00           H  
HETATM   70  H   UNL     1       3.716   4.719  -2.264  1.00  0.00           H  
HETATM   71  H   UNL     1       5.649  -0.787   2.701  1.00  0.00           H  
HETATM   72  H   UNL     1       4.204  -0.490   3.697  1.00  0.00           H  
HETATM   73  H   UNL     1       4.026  -1.014   2.005  1.00  0.00           H  
HETATM   74  H   UNL     1       4.809   2.096   4.016  1.00  0.00           H  
CONECT    1   40   40    3    2                                       
CONECT    2    1   33   34    4                                       
CONECT    3   43   43    1   44                                       
CONECT    4    2    5    5   37                                       
CONECT    5   44    4    4   39                                       
CONECT    6    7    7                                                 
CONECT    7    8    8    9    6                                       
CONECT    7    6   18                                                 
CONECT    8    7    7                                                 
CONECT    9   10    7   11                                            
CONECT   10    9   45   46   47                                       
CONECT   11    9   12   48   49                                       
CONECT   12   17   11   13   13                                       
CONECT   13   12   12   14   50                                       
CONECT   14   15   15   13   51                                       
CONECT   15   16   14   14   52                                       
CONECT   16   17   17   15   53                                       
CONECT   17   16   16   12   54                                       
CONECT   18    7   21   21   19                                       
CONECT   19   18   20   20   55                                       
CONECT   20   19   19   23   56                                       
CONECT   21   18   18   22   57                                       
CONECT   22   21   23   23   58                                       
CONECT   23   22   22   20   24                                       
CONECT   24   23   32   32   25                                       
CONECT   25   24   26   26   59                                       
CONECT   26   25   25   31   27                                       
CONECT   27   26   28   30   29                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
CONECT   31   33   33   26   60                                       
CONECT   32   24   24   33   61                                       
CONECT   33   32    2   31   31                                       
CONECT   34   36    2   35   62                                       
CONECT   35   34   63   64   65                                       
CONECT   36   34   66   67   68                                       
CONECT   37    4   38   38   38                                       
CONECT   38   37   37   37                                            
CONECT   39    5   69   70                                            
CONECT   40   42   41    1    1                                       
CONECT   41   40   71   72   73                                       
CONECT   42   43   40   74                                            
CONECT   43   42    3    3                                            
CONECT   44    3    5                                                 
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   25                                                      
CONECT   60   31                                                      
CONECT   61   32                                                      
CONECT   62   34                                                      
CONECT   63   35                                                      
CONECT   64   35                                                      
CONECT   65   35                                                      
CONECT   66   36                                                      
CONECT   67   36                                                      
CONECT   68   36                                                      
CONECT   69   39                                                      
CONECT   70   39                                                      
CONECT   71   41                                                      
CONECT   72   41                                                      
CONECT   73   41                                                      
CONECT   74   42                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
