COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.811  -3.694  -0.608  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.978  -3.692   0.554  1.00  0.00           C  
HETATM    3  C   UNL     1       0.486  -3.549   0.131  1.00  0.00           C  
HETATM    4  O   UNL     1       0.703  -2.251  -0.447  1.00  0.00           O  
HETATM    5  C   UNL     1       1.401  -3.664   1.365  1.00  0.00           C  
HETATM    6  O   UNL     1       2.300  -4.765   1.221  1.00  0.00           O  
HETATM    7  C   UNL     1       2.181  -2.327   1.385  1.00  0.00           C  
HETATM    8  O   UNL     1       3.552  -2.541   1.726  1.00  0.00           O  
HETATM    9  N   UNL     1       2.186  -0.393  -0.173  1.00  0.00           N  
HETATM   10  C   UNL     1       1.172   0.518  -0.176  1.00  0.00           C  
HETATM   11  N   UNL     1       1.663   1.722  -0.263  1.00  0.00           N  
HETATM   12  C   UNL     1       3.012   1.653  -0.321  1.00  0.00           C  
HETATM   13  C   UNL     1       4.087   2.639  -0.424  1.00  0.00           C  
HETATM   14  N   UNL     1       4.120   3.954  -0.497  1.00  0.00           N  
HETATM   15  N   UNL     1       5.381   2.174  -0.459  1.00  0.00           N  
HETATM   16  C   UNL     1       5.622   0.830  -0.398  1.00  0.00           C  
HETATM   17  N   UNL     1       4.657  -0.051  -0.306  1.00  0.00           N  
HETATM   18  C   UNL     1       3.365   0.303  -0.259  1.00  0.00           C  
HETATM   19  C   UNL     1       5.393   4.360  -0.577  1.00  0.00           C  
HETATM   20  C   UNL     1       6.194   3.275  -0.556  1.00  0.00           C  
HETATM   21  N   UNL     1       6.924   0.387  -0.435  1.00  0.00           N  
HETATM   22  S   UNL     1      -3.296  -3.832  -0.304  1.00  0.00           S  
HETATM   23  O   UNL     1      -3.945  -4.017  -1.554  1.00  0.00           O  
HETATM   24  O   UNL     1      -3.402  -4.754   0.772  1.00  0.00           O  
HETATM   25  N   UNL     1      -3.814  -2.371   0.280  1.00  0.00           N  
HETATM   26  C   UNL     1      -3.799  -1.283  -0.515  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.271   0.045   0.016  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.151   1.105  -1.081  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.623   2.434  -0.549  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.823   3.407   0.199  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.683   4.484   0.479  1.00  0.00           C  
HETATM   32  N   UNL     1      -5.910   4.176  -0.064  1.00  0.00           N  
HETATM   33  C   UNL     1      -5.854   2.954  -0.677  1.00  0.00           C  
HETATM   34  O   UNL     1      -3.406  -1.374  -1.659  1.00  0.00           O  
HETATM   35  C   UNL     1      -2.497   3.443   0.634  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.041   4.526   1.331  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.885   5.592   1.609  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.197   5.577   1.189  1.00  0.00           C  
HETATM   39  C   UNL     1       2.043  -1.849  -0.087  1.00  0.00           C  
HETATM   40  C   UNL     1       7.211  -1.048  -0.371  1.00  0.00           C  
HETATM   41  H   UNL     1      -1.253  -2.856   1.197  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.110  -4.628   1.097  1.00  0.00           H  
HETATM   43  H   UNL     1       0.740  -4.324  -0.592  1.00  0.00           H  
HETATM   44  H   UNL     1       0.807  -3.774   2.272  1.00  0.00           H  
HETATM   45  H   UNL     1       2.900  -4.884   1.970  1.00  0.00           H  
HETATM   46  H   UNL     1       1.719  -1.616   2.070  1.00  0.00           H  
HETATM   47  H   UNL     1       3.684  -2.925   2.603  1.00  0.00           H  
HETATM   48  H   UNL     1       0.121   0.278  -0.115  1.00  0.00           H  
HETATM   49  H   UNL     1       5.724   5.385  -0.648  1.00  0.00           H  
HETATM   50  H   UNL     1       7.273   3.273  -0.605  1.00  0.00           H  
HETATM   51  H   UNL     1       7.651   1.024  -0.503  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.128  -2.299   1.195  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.311  -0.037   0.330  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.656   0.335   0.869  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.111   1.188  -1.395  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.766   0.816  -1.934  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.696   4.742  -0.022  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.678   2.477  -1.186  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.834   2.617   0.421  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.015   4.554   1.667  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.510   6.441   2.161  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.847   6.411   1.411  1.00  0.00           H  
HETATM   63  H   UNL     1       2.777  -2.344  -0.723  1.00  0.00           H  
HETATM   64  H   UNL     1       6.820  -1.456   0.562  1.00  0.00           H  
HETATM   65  H   UNL     1       6.738  -1.552  -1.214  1.00  0.00           H  
HETATM   66  H   UNL     1       8.289  -1.205  -0.412  1.00  0.00           H  
CONECT    1    2   22                                                 
CONECT    2    3    1   41   42                                       
CONECT    3    4    5    2   43                                       
CONECT    4   39    3                                                 
CONECT    5    7    3    6   44                                       
CONECT    6    5   45                                                 
CONECT    7   39    8    5   46                                       
CONECT    8    7   47                                                 
CONECT    9   18   10   39                                            
CONECT   10   11   11    9   48                                       
CONECT   11   12   10   10                                            
CONECT   12   13   11   18   18                                       
CONECT   13   14   14   15   12                                       
CONECT   14   19   13   13                                            
CONECT   15   20   13   16                                            
CONECT   16   15   21   17   17                                       
CONECT   17   16   16   18                                            
CONECT   18   12   12   17    9                                       
CONECT   19   20   20   14   49                                       
CONECT   20   19   19   15   50                                       
CONECT   21   16   40   51                                            
CONECT   22    1   23   23   25                                       
CONECT   22   24   24                                                 
CONECT   23   22   22                                                 
CONECT   24   22   22                                                 
CONECT   25   26   22   52                                            
CONECT   26   34   34   27   25                                       
CONECT   27   26   28   53   54                                       
CONECT   28   27   29   55   56                                       
CONECT   29   30   28   33   33                                       
CONECT   30   35   31   31   29                                       
CONECT   31   30   30   38   32                                       
CONECT   32   31   33   57                                            
CONECT   33   29   29   32   58                                       
CONECT   34   26   26                                                 
CONECT   35   36   36   30   59                                       
CONECT   36   35   35   37   60                                       
CONECT   37   36   38   38   61                                       
CONECT   38   37   37   31   62                                       
CONECT   39    9    7    4   63                                       
CONECT   40   21   64   65   66                                       
CONECT   41    2                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48   10                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   25                                                      
CONECT   53   27                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   28                                                      
CONECT   57   32                                                      
CONECT   58   33                                                      
CONECT   59   35                                                      
CONECT   60   36                                                      
CONECT   61   37                                                      
CONECT   62   38                                                      
CONECT   63   39                                                      
CONECT   64   40                                                      
CONECT   65   40                                                      
CONECT   66   40                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
