COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.917  -0.398  -0.071  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.498  -2.728  -1.847  1.00  0.00           C  
HETATM    3  C   UNL     1       0.753  -2.141  -1.840  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.004  -3.807   0.233  1.00  0.00           C  
HETATM    5  C   UNL     1       1.626  -2.387  -0.796  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.877  -3.561  -0.811  1.00  0.00           C  
HETATM    7  C   UNL     1       9.174   0.957   0.746  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.512  -0.261  -1.043  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.148   1.436  -1.447  1.00  0.00           C  
HETATM   10  C   UNL     1       0.729   0.496  -0.660  1.00  0.00           C  
HETATM   11  C   UNL     1       2.991  -1.747  -0.789  1.00  0.00           C  
HETATM   12  C   UNL     1       4.302   0.185   0.046  1.00  0.00           C  
HETATM   13  C   UNL     1       1.248  -3.220   0.240  1.00  0.00           C  
HETATM   14  C   UNL     1       6.576  -0.001   0.723  1.00  0.00           C  
HETATM   15  C   UNL     1       4.931  -1.723   1.424  1.00  0.00           C  
HETATM   16  C   UNL     1       6.865   1.208   1.342  1.00  0.00           C  
HETATM   17  C   UNL     1       8.161   1.685   1.353  1.00  0.00           C  
HETATM   18  C   UNL     1       8.886  -0.251   0.128  1.00  0.00           C  
HETATM   19  C   UNL     1       7.591  -0.729   0.116  1.00  0.00           C  
HETATM   20  C   UNL     1      11.442   0.628   0.110  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.251  -0.843   0.020  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.061  -1.499   0.925  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.428  -0.872   2.109  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.978   0.414   2.378  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.167   1.065   1.469  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.799   0.435   0.294  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.435   1.745   0.470  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.043   1.936  -0.068  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.306   0.237  -1.843  1.00  0.00           C  
HETATM   30  N   UNL     1      -9.248  -1.532   3.026  1.00  0.00           N  
HETATM   31  N   UNL     1      -4.198   0.909  -0.468  1.00  0.00           N  
HETATM   32  N   UNL     1      -1.550   1.220  -1.079  1.00  0.00           N  
HETATM   33  N   UNL     1       2.065   0.516  -0.835  1.00  0.00           N  
HETATM   34  N   UNL     1       5.262  -0.486   0.712  1.00  0.00           N  
HETATM   35  O   UNL     1      -6.009   0.665  -2.127  1.00  0.00           O  
HETATM   36  O   UNL     1      -1.338   2.782   0.440  1.00  0.00           O  
HETATM   37  O   UNL     1       0.232  -0.278   0.130  1.00  0.00           O  
HETATM   38  O   UNL     1       4.552   1.259  -0.460  1.00  0.00           O  
HETATM   39  O   UNL     1      10.449   1.430   0.753  1.00  0.00           O  
HETATM   40  O   UNL     1      -5.931   2.659  -0.622  1.00  0.00           O  
HETATM   41  S   UNL     1      -5.765   1.269  -0.864  1.00  0.00           S  
HETATM   42  H   UNL     1       2.497  -0.539   0.925  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.181  -2.532  -2.660  1.00  0.00           H  
HETATM   44  H   UNL     1       1.049  -1.490  -2.649  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.300  -4.458   1.042  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.855  -4.019  -0.816  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.193  -0.800  -1.701  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.175  -0.920  -0.243  1.00  0.00           H  
HETATM   49  H   UNL     1       0.131   2.466  -1.224  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.019   1.248  -2.513  1.00  0.00           H  
HETATM   51  H   UNL     1       3.327  -1.595  -1.814  1.00  0.00           H  
HETATM   52  H   UNL     1       3.694  -2.398  -0.268  1.00  0.00           H  
HETATM   53  H   UNL     1       1.929  -3.412   1.055  1.00  0.00           H  
HETATM   54  H   UNL     1       5.057  -2.573   0.754  1.00  0.00           H  
HETATM   55  H   UNL     1       5.594  -1.836   2.283  1.00  0.00           H  
HETATM   56  H   UNL     1       3.897  -1.679   1.766  1.00  0.00           H  
HETATM   57  H   UNL     1       6.077   1.775   1.814  1.00  0.00           H  
HETATM   58  H   UNL     1       8.386   2.626   1.834  1.00  0.00           H  
HETATM   59  H   UNL     1       9.675  -0.817  -0.345  1.00  0.00           H  
HETATM   60  H   UNL     1       7.366  -1.670  -0.366  1.00  0.00           H  
HETATM   61  H   UNL     1      11.489  -0.348   0.593  1.00  0.00           H  
HETATM   62  H   UNL     1      11.182   0.501  -0.941  1.00  0.00           H  
HETATM   63  H   UNL     1      12.412   1.119   0.188  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.965  -1.330  -0.901  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.410  -2.499   0.713  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.261   0.905   3.297  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.817   2.065   1.677  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.386   1.252   1.441  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.922   2.714   0.578  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.660  -0.607  -2.081  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.655   0.695  -2.769  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.562  -2.430   2.837  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.504  -1.093   3.853  1.00  0.00           H  
HETATM   74  H   UNL     1       2.462   1.135  -1.467  1.00  0.00           H  
CONECT    1   33   11   12   42                                       
CONECT    2    6    6    3   43                                       
CONECT    3    2    5    5   44                                       
CONECT    4    6   13   13   45                                       
CONECT    5    3    3   13   11                                       
CONECT    6    2    2    4   46                                       
CONECT    7   18   39   17   17                                       
CONECT    8   31   29   47   48                                       
CONECT    9   32   10   49   50                                       
CONECT   10   37   37    9   33                                       
CONECT   11    5    1   51   52                                       
CONECT   12    1   38   38   34                                       
CONECT   13    4    4    5   53                                       
CONECT   14   19   34   16   16                                       
CONECT   15   34   54   55   56                                       
CONECT   16   14   14   17   57                                       
CONECT   17    7    7   16   58                                       
CONECT   18   19   19    7   59                                       
CONECT   19   18   18   14   60                                       
CONECT   20   39   61   62   63                                       
CONECT   21   26   26   22   64                                       
CONECT   22   23   23   21   65                                       
CONECT   23   24   30   22   22                                       
CONECT   24   25   25   23   66                                       
CONECT   25   24   24   26   67                                       
CONECT   26   41   25   21   21                                       
CONECT   27   31   28   68   69                                       
CONECT   28   27   32   36   36                                       
CONECT   29    8   32   70   71                                       
CONECT   30   23   72   73                                            
CONECT   31   41    8   27                                            
CONECT   32   29   28    9                                            
CONECT   33   10    1   74                                            
CONECT   34   12   14   15                                            
CONECT   35   41   41                                                 
CONECT   36   28   28                                                 
CONECT   37   10   10                                                 
CONECT   38   12   12                                                 
CONECT   39   20    7                                                 
CONECT   40   41   41                                                 
CONECT   41   40   40   35   35                                       
CONECT   41   26   31                                                 
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    6                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   13                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   27                                                      
CONECT   69   27                                                      
CONECT   70   29                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   30                                                      
CONECT   74   33                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
