COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       6.942  -3.648   0.705  1.00  0.00           C  
HETATM    2  C   UNL     1       3.118  -2.010  -0.440  1.00  0.00           C  
HETATM    3  C   UNL     1       1.967  -1.319  -0.762  1.00  0.00           C  
HETATM    4  C   UNL     1       0.097   1.221  -0.750  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.474   2.287   0.149  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.428   4.501   0.501  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.271  -1.631   0.856  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.198  -0.602   0.218  1.00  0.00           C  
HETATM    9  N   UNL     1       0.008  -0.080  -0.082  1.00  0.00           N  
HETATM   10  C   UNL     1       1.176  -0.781   0.244  1.00  0.00           C  
HETATM   11  C   UNL     1       1.542  -0.939   1.575  1.00  0.00           C  
HETATM   12  C   UNL     1       2.693  -1.630   1.896  1.00  0.00           C  
HETATM   13  C   UNL     1       3.484  -2.168   0.890  1.00  0.00           C  
HETATM   14  N   UNL     1       4.649  -2.874   1.217  1.00  0.00           N  
HETATM   15  C   UNL     1       5.726  -2.810   0.408  1.00  0.00           C  
HETATM   16  O   UNL     1       5.715  -2.077  -0.558  1.00  0.00           O  
HETATM   17  N   UNL     1      -0.873   3.464  -0.372  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.798   5.728  -0.335  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.679   3.963   1.199  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.388   4.894   1.552  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.576   2.085   1.340  1.00  0.00           O  
HETATM   22  C   UNL     1       1.541   1.535  -1.047  1.00  0.00           C  
HETATM   23  C   UNL     1       2.490   1.500  -0.110  1.00  0.00           C  
HETATM   24  S   UNL     1       4.041   1.922  -0.826  1.00  0.00           S  
HETATM   25  C   UNL     1       3.290   2.128  -2.403  1.00  0.00           C  
HETATM   26  C   UNL     1       1.984   1.875  -2.313  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.454   0.093  -0.238  1.00  0.00           C  
HETATM   28  N   UNL     1      -3.624  -0.668   0.211  1.00  0.00           N  
HETATM   29  C   UNL     1      -4.258  -1.679  -0.470  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.055  -2.289  -1.703  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.891  -3.306  -2.107  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.934  -3.725  -1.291  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.150  -3.139  -0.079  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.314  -2.103   0.356  1.00  0.00           C  
HETATM   35  N   UNL     1      -5.282  -1.353   1.476  1.00  0.00           N  
HETATM   36  N   UNL     1      -4.312  -0.511   1.423  1.00  0.00           N  
HETATM   37  H   UNL     1       6.667  -4.703   0.694  1.00  0.00           H  
HETATM   38  H   UNL     1       7.704  -3.464  -0.053  1.00  0.00           H  
HETATM   39  H   UNL     1       7.334  -3.385   1.687  1.00  0.00           H  
HETATM   40  H   UNL     1       3.731  -2.432  -1.223  1.00  0.00           H  
HETATM   41  H   UNL     1       1.683  -1.196  -1.797  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.467   1.190  -1.682  1.00  0.00           H  
HETATM   43  H   UNL     1       0.927  -0.521   2.358  1.00  0.00           H  
HETATM   44  H   UNL     1       2.978  -1.752   2.931  1.00  0.00           H  
HETATM   45  H   UNL     1       4.681  -3.409   2.025  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.791   3.626  -1.325  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.907   6.111  -0.832  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.539   5.448  -1.083  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.212   6.499   0.315  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.093   4.734   1.849  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.421   3.683   0.451  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.416   3.089   1.795  1.00  0.00           H  
HETATM   53  H   UNL     1       0.503   5.278   1.055  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.801   5.666   2.202  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.124   4.020   2.147  1.00  0.00           H  
HETATM   56  H   UNL     1       2.331   1.252   0.928  1.00  0.00           H  
HETATM   57  H   UNL     1       3.809   2.411  -3.307  1.00  0.00           H  
HETATM   58  H   UNL     1       1.320   1.936  -3.164  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.489   1.096   0.185  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.459   0.157  -1.326  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.245  -1.967  -2.341  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.734  -3.781  -3.064  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.582  -4.524  -1.622  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.965  -3.474   0.545  1.00  0.00           H  
CONECT    1   15   37   38   39                                       
CONECT    2    3   13   13   40                                       
CONECT    3   10   10    2   41                                       
CONECT    4    5   22    9   42                                       
CONECT    5   21   21   17    4                                       
CONECT    6   19   18   20   17                                       
CONECT    7    8    8                                                 
CONECT    8    7    7    9   27                                       
CONECT    9    4    8   10                                            
CONECT   10    9    3    3   11                                       
CONECT   11   10   12   12   43                                       
CONECT   12   11   11   13   44                                       
CONECT   13    2    2   12   14                                       
CONECT   14   13   15   45                                            
CONECT   15   16   16   14    1                                       
CONECT   16   15   15                                                 
CONECT   17    6    5   46                                            
CONECT   18    6   47   48   49                                       
CONECT   19    6   50   51   52                                       
CONECT   20    6   53   54   55                                       
CONECT   21    5    5                                                 
CONECT   22    4   23   23   26                                       
CONECT   23   22   22   24   56                                       
CONECT   24   23   25                                                 
CONECT   25   26   26   24   57                                       
CONECT   26   22   25   25   58                                       
CONECT   27    8   28   59   60                                       
CONECT   28   29   36   27                                            
CONECT   29   30   30   34   28                                       
CONECT   30   31   29   29   61                                       
CONECT   31   32   32   30   62                                       
CONECT   32   31   31   33   63                                       
CONECT   33   32   34   34   64                                       
CONECT   34   33   33   29   35                                       
CONECT   35   34   36   36                                            
CONECT   36   35   35   28                                            
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   14                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   19                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   23                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   27                                                      
CONECT   60   27                                                      
CONECT   61   30                                                      
CONECT   62   31                                                      
CONECT   63   32                                                      
CONECT   64   33                                                      
MASTER        0    0    0    0    0    0    0    0   64    0   64    0
END
