COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.857   0.124  -0.329  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.068  -1.262  -0.361  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.386  -1.776  -0.285  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.468  -0.889  -0.178  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.228   0.477  -0.149  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.914   0.972  -0.226  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.360   1.417  -0.037  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.264   2.790  -0.002  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.564   3.288   0.108  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.410   2.194   0.136  1.00  0.00           C  
HETATM   11  O   UNL     1      -5.659   1.077   0.042  1.00  0.00           O  
HETATM   12  C   UNL     1      -7.817   2.238   0.240  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.537   1.078   0.258  1.00  0.00           C  
HETATM   14  C   UNL     1      -9.944   0.930   0.356  1.00  0.00           C  
HETATM   15  N   UNL     1     -10.403  -0.310   0.352  1.00  0.00           N  
HETATM   16  C   UNL     1      -9.533  -1.325   0.257  1.00  0.00           C  
HETATM   17  S   UNL     1      -7.925  -0.584   0.154  1.00  0.00           S  
HETATM   18  O   UNL     1     -10.688   1.891   0.441  1.00  0.00           O  
HETATM   19  O   UNL     1      -9.793  -2.513   0.239  1.00  0.00           O  
HETATM   20  C   UNL     1       0.020  -2.164  -0.469  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.229  -3.529  -0.498  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.529  -4.014  -0.423  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.592  -3.168  -0.319  1.00  0.00           C  
HETATM   24  C   UNL     1       1.402  -1.657  -0.550  1.00  0.00           C  
HETATM   25  O   UNL     1       1.608  -0.462  -0.635  1.00  0.00           O  
HETATM   26  N   UNL     1       2.438  -2.519  -0.530  1.00  0.00           N  
HETATM   27  H   UNL     1       0.147   0.518  -0.382  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.478  -1.266  -0.120  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.742   2.038  -0.197  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.355   3.372  -0.051  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.854   4.327   0.160  1.00  0.00           H  
HETATM   32  H   UNL     1      -8.324   3.189   0.306  1.00  0.00           H  
HETATM   33  H   UNL     1     -11.355  -0.482   0.416  1.00  0.00           H  
HETATM   34  H   UNL     1       0.596  -4.221  -0.580  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.699  -5.080  -0.447  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.594  -3.566  -0.262  1.00  0.00           H  
HETATM   37  H   UNL     1       2.274  -3.475  -0.528  1.00  0.00           H  
HETATM   38  C   UNL     1       4.076  -0.881  -1.211  1.00  0.00           C  
HETATM   39  C   UNL     1       3.750  -2.035  -0.510  1.00  0.00           C  
HETATM   40  C   UNL     1       4.729  -2.707   0.209  1.00  0.00           C  
HETATM   41  C   UNL     1       6.024  -2.227   0.227  1.00  0.00           C  
HETATM   42  C   UNL     1       6.346  -1.077  -0.472  1.00  0.00           C  
HETATM   43  C   UNL     1       5.373  -0.405  -1.189  1.00  0.00           C  
HETATM   44  C   UNL     1       7.087  -2.955   1.007  1.00  0.00           C  
HETATM   45  F   UNL     1       6.526  -4.078   1.624  1.00  0.00           F  
HETATM   46  F   UNL     1       8.108  -3.361   0.140  1.00  0.00           F  
HETATM   47  F   UNL     1       7.616  -2.103   1.983  1.00  0.00           F  
HETATM   48  C   UNL     1       5.728   0.847  -1.949  1.00  0.00           C  
HETATM   49  N   UNL     1       5.545   2.016  -1.078  1.00  0.00           N  
HETATM   50  C   UNL     1       6.102   3.226  -1.698  1.00  0.00           C  
HETATM   51  C   UNL     1       6.139   1.785   0.246  1.00  0.00           C  
HETATM   52  C   UNL     1       5.859   2.991   1.145  1.00  0.00           C  
HETATM   53  N   UNL     1       6.416   4.201   0.526  1.00  0.00           N  
HETATM   54  C   UNL     1       5.822   4.432  -0.799  1.00  0.00           C  
HETATM   55  C   UNL     1       6.233   5.370   1.396  1.00  0.00           C  
HETATM   56  C   UNL     1       7.036   6.549   0.842  1.00  0.00           C  
HETATM   57  H   UNL     1       3.318  -0.358  -1.775  1.00  0.00           H  
HETATM   58  H   UNL     1       4.479  -3.605   0.755  1.00  0.00           H  
HETATM   59  H   UNL     1       7.359  -0.703  -0.456  1.00  0.00           H  
HETATM   60  H   UNL     1       6.767   0.794  -2.272  1.00  0.00           H  
HETATM   61  H   UNL     1       5.081   0.939  -2.821  1.00  0.00           H  
HETATM   62  H   UNL     1       7.179   3.108  -1.823  1.00  0.00           H  
HETATM   63  H   UNL     1       5.638   3.383  -2.672  1.00  0.00           H  
HETATM   64  H   UNL     1       5.701   0.891   0.690  1.00  0.00           H  
HETATM   65  H   UNL     1       7.216   1.650   0.143  1.00  0.00           H  
HETATM   66  H   UNL     1       4.782   3.109   1.270  1.00  0.00           H  
HETATM   67  H   UNL     1       6.323   2.834   2.119  1.00  0.00           H  
HETATM   68  H   UNL     1       6.260   5.327  -1.242  1.00  0.00           H  
HETATM   69  H   UNL     1       4.745   4.567  -0.696  1.00  0.00           H  
HETATM   70  H   UNL     1       5.176   5.635   1.432  1.00  0.00           H  
HETATM   71  H   UNL     1       6.583   5.133   2.401  1.00  0.00           H  
HETATM   72  H   UNL     1       6.900   7.417   1.488  1.00  0.00           H  
HETATM   73  H   UNL     1       8.092   6.285   0.806  1.00  0.00           H  
HETATM   74  H   UNL     1       6.686   6.786  -0.163  1.00  0.00           H  
CONECT    1    6   27    2    2                                       
CONECT    2    1    1    3   20                                       
CONECT    3    2    4    4   23                                       
CONECT    4    3    3    5   28                                       
CONECT    5    4    7    6    6                                       
CONECT    6    1    5    5   29                                       
CONECT    7    5   11    8    8                                       
CONECT    8    7    7    9   30                                       
CONECT    9    8   31   10   10                                       
CONECT   10    9    9   12   11                                       
CONECT   11    7   10                                                 
CONECT   12   10   32   13   13                                       
CONECT   13   12   12   14   17                                       
CONECT   14   13   18   18   15                                       
CONECT   15   14   33   16                                            
CONECT   16   15   17   19   19                                       
CONECT   17   13   16                                                 
CONECT   18   14   14                                                 
CONECT   19   16   16                                                 
CONECT   20    2   21   21   24                                       
CONECT   21   20   20   22   34                                       
CONECT   22   21   23   23   35                                       
CONECT   23   22   22    3   36                                       
CONECT   24   20   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   37   39                                            
CONECT   27    1                                                      
CONECT   28    4                                                      
CONECT   29    6                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   12                                                      
CONECT   33   15                                                      
CONECT   34   21                                                      
CONECT   35   22                                                      
CONECT   36   23                                                      
CONECT   37   26                                                      
CONECT   38   39   43   43   57                                       
CONECT   39   38   40   40   26                                       
CONECT   40   39   39   41   58                                       
CONECT   41   40   42   42   44                                       
CONECT   42   41   41   43   59                                       
CONECT   43   42   38   38   48                                       
CONECT   44   41   45   46   47                                       
CONECT   45   44                                                      
CONECT   46   44                                                      
CONECT   47   44                                                      
CONECT   48   43   49   60   61                                       
CONECT   49   48   50   51                                            
CONECT   50   49   54   62   63                                       
CONECT   51   49   52   64   65                                       
CONECT   52   51   53   66   67                                       
CONECT   53   52   54   55                                            
CONECT   54   53   50   68   69                                       
CONECT   55   53   56   70   71                                       
CONECT   56   55   72   73   74                                       
CONECT   57   38                                                      
CONECT   58   40                                                      
CONECT   59   42                                                      
CONECT   60   48                                                      
CONECT   61   48                                                      
CONECT   62   50                                                      
CONECT   63   50                                                      
CONECT   64   51                                                      
CONECT   65   51                                                      
CONECT   66   52                                                      
CONECT   67   52                                                      
CONECT   68   54                                                      
CONECT   69   54                                                      
CONECT   70   55                                                      
CONECT   71   55                                                      
CONECT   72   56                                                      
CONECT   73   56                                                      
CONECT   74   56                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
