COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.157  -0.852  -0.055  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.495  -0.956  -3.385  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.774  -0.413  -0.844  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.515   0.313  -1.321  1.00  0.00           C  
HETATM    5  C   UNL     1       1.551   0.036  -2.553  1.00  0.00           C  
HETATM    6  C   UNL     1       2.418   0.188  -1.302  1.00  0.00           C  
HETATM    7  C   UNL     1       3.618   2.385  -1.202  1.00  0.00           C  
HETATM    8  C   UNL     1       3.409   5.031  -0.422  1.00  0.00           C  
HETATM    9  C   UNL     1       3.385   2.696   0.124  1.00  0.00           C  
HETATM   10  C   UNL     1       5.036  -2.022   0.076  1.00  0.00           C  
HETATM   11  C   UNL     1       5.264  -1.385   2.501  1.00  0.00           C  
HETATM   12  C   UNL     1       5.321   0.163   2.500  1.00  0.00           C  
HETATM   13  C   UNL     1       6.744   0.453   1.962  1.00  0.00           C  
HETATM   14  C   UNL     1       2.928  -1.192  -0.818  1.00  0.00           C  
HETATM   15  C   UNL     1      -8.106   0.333   0.026  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.648   1.412   2.095  1.00  0.00           C  
HETATM   17  O   UNL     1      -5.844  -2.586   0.739  1.00  0.00           O  
HETATM   18  S   UNL     1      -6.209  -1.613  -0.230  1.00  0.00           S  
HETATM   19  O   UNL     1      -7.034  -1.953  -1.336  1.00  0.00           O  
HETATM   20  C   UNL     1      -7.158  -0.435   0.675  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.954  -0.281   2.033  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.698   0.642   2.744  1.00  0.00           C  
HETATM   23  F   UNL     1      -9.376   2.314   2.788  1.00  0.00           F  
HETATM   24  C   UNL     1      -8.847   1.260   0.733  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.750  -0.688  -0.784  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.837  -1.613  -1.591  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.606  -0.833  -2.059  1.00  0.00           C  
HETATM   28  N   UNL     1       0.267  -0.578  -2.188  1.00  0.00           N  
HETATM   29  C   UNL     1      -1.754  -1.720  -2.970  1.00  0.00           C  
HETATM   30  C   UNL     1       6.024  -1.791   1.221  1.00  0.00           C  
HETATM   31  C   UNL     1       6.965  -0.623   0.879  1.00  0.00           C  
HETATM   32  C   UNL     1       6.824  -3.044   1.472  1.00  0.00           C  
HETATM   33  O   UNL     1       7.682  -3.096   2.503  1.00  0.00           O  
HETATM   34  O   UNL     1       6.693  -4.000   0.746  1.00  0.00           O  
HETATM   35  C   UNL     1       4.820   0.226  -0.820  1.00  0.00           C  
HETATM   36  C   UNL     1       3.725   0.944  -1.630  1.00  0.00           C  
HETATM   37  C   UNL     1       3.281   4.020   0.516  1.00  0.00           C  
HETATM   38  F   UNL     1       3.055   4.326   1.812  1.00  0.00           F  
HETATM   39  C   UNL     1       3.647   4.718  -1.747  1.00  0.00           C  
HETATM   40  C   UNL     1       3.746   3.395  -2.138  1.00  0.00           C  
HETATM   41  H   UNL     1      -0.779  -0.058  -3.934  1.00  0.00           H  
HETATM   42  H   UNL     1       0.122  -1.591  -4.022  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.490  -1.298  -0.274  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.362   0.254  -0.213  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.799   1.205  -1.879  1.00  0.00           H  
HETATM   46  H   UNL     1       0.087   0.601  -0.459  1.00  0.00           H  
HETATM   47  H   UNL     1       1.372   1.018  -2.993  1.00  0.00           H  
HETATM   48  H   UNL     1       2.064  -0.598  -3.276  1.00  0.00           H  
HETATM   49  H   UNL     1       1.866   0.697  -0.512  1.00  0.00           H  
HETATM   50  H   UNL     1       3.332   6.064  -0.116  1.00  0.00           H  
HETATM   51  H   UNL     1       3.285   1.907   0.854  1.00  0.00           H  
HETATM   52  H   UNL     1       4.435  -2.906   0.287  1.00  0.00           H  
HETATM   53  H   UNL     1       5.585  -2.169  -0.854  1.00  0.00           H  
HETATM   54  H   UNL     1       5.762  -1.785   3.384  1.00  0.00           H  
HETATM   55  H   UNL     1       4.230  -1.728   2.458  1.00  0.00           H  
HETATM   56  H   UNL     1       4.564   0.577   1.834  1.00  0.00           H  
HETATM   57  H   UNL     1       5.200   0.554   3.510  1.00  0.00           H  
HETATM   58  H   UNL     1       6.791   1.450   1.524  1.00  0.00           H  
HETATM   59  H   UNL     1       7.481   0.352   2.759  1.00  0.00           H  
HETATM   60  H   UNL     1       3.167  -1.833  -1.666  1.00  0.00           H  
HETATM   61  H   UNL     1       2.193  -1.669  -0.170  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.265   0.211  -1.036  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.212  -0.881   2.540  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.541   0.760   3.806  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.588   1.861   0.225  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.066   0.147  -1.410  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.209  -0.309   0.083  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.521  -2.448  -0.966  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.378  -1.992  -2.458  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.924   0.054  -2.608  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.327  -1.988  -3.858  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.470  -2.626  -2.433  1.00  0.00           H  
HETATM   73  H   UNL     1       6.718  -0.220  -0.104  1.00  0.00           H  
HETATM   74  H   UNL     1       8.001  -0.961   0.894  1.00  0.00           H  
HETATM   75  H   UNL     1       8.173  -3.921   2.623  1.00  0.00           H  
HETATM   76  H   UNL     1       5.296   0.928  -0.135  1.00  0.00           H  
HETATM   77  H   UNL     1       5.565  -0.199  -1.492  1.00  0.00           H  
HETATM   78  H   UNL     1       3.940   0.882  -2.697  1.00  0.00           H  
HETATM   79  H   UNL     1       3.756   5.506  -2.477  1.00  0.00           H  
HETATM   80  H   UNL     1       3.923   3.151  -3.175  1.00  0.00           H  
CONECT    1   14   35   10                                            
CONECT    2   29   28   41   42                                       
CONECT    3   27    4   43   44                                       
CONECT    4    3   28   45   46                                       
CONECT    5   28    6   47   48                                       
CONECT    6    5   36   14   49                                       
CONECT    7    9    9   40   36                                       
CONECT    8   37   37   39   50                                       
CONECT    9   37    7    7   51                                       
CONECT   10    1   30   52   53                                       
CONECT   11   30   12   54   55                                       
CONECT   12   13   11   56   57                                       
CONECT   13   31   12   58   59                                       
CONECT   14    6    1   60   61                                       
CONECT   15   24   24   20   62                                       
CONECT   16   24   23   22   22                                       
CONECT   17   18   18                                                 
CONECT   18   19   19   20   25                                       
CONECT   18   17   17                                                 
CONECT   19   18   18                                                 
CONECT   20   15   21   21   18                                       
CONECT   21   20   20   22   63                                       
CONECT   22   16   16   21   64                                       
CONECT   23   16                                                      
CONECT   24   15   15   16   65                                       
CONECT   25   18   26   66   67                                       
CONECT   26   27   25   68   69                                       
CONECT   27   26   29    3   70                                       
CONECT   28    2    4    5                                            
CONECT   29   27    2   71   72                                       
CONECT   30   10   31   32   11                                       
CONECT   31   30   13   73   74                                       
CONECT   32   34   34   30   33                                       
CONECT   33   32   75                                                 
CONECT   34   32   32                                                 
CONECT   35   36    1   76   77                                       
CONECT   36    7    6   35   78                                       
CONECT   37   38    8    8    9                                       
CONECT   38   37                                                      
CONECT   39    8   40   40   79                                       
CONECT   40   39   39    7   80                                       
CONECT   41    2                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   11                                                      
CONECT   56   12                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   14                                                      
CONECT   62   15                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   29                                                      
CONECT   72   29                                                      
CONECT   73   31                                                      
CONECT   74   31                                                      
CONECT   75   33                                                      
CONECT   76   35                                                      
CONECT   77   35                                                      
CONECT   78   36                                                      
CONECT   79   39                                                      
CONECT   80   40                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
