COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.826  -4.118  -1.493  1.00  0.00           N  
HETATM    2  O   UNL     1      -2.317  -6.287  -2.401  1.00  0.00           O  
HETATM    3  C   UNL     1      -1.309  -5.126  -0.534  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.584  -5.756  -1.104  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.767  -4.505  -2.913  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.084  -5.189  -3.281  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.458  -2.886  -1.088  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.169  -2.037  -1.909  1.00  0.00           O  
HETATM    9  N   UNL     1      -0.410  -2.596   0.228  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.122  -1.228   0.666  1.00  0.00           C  
HETATM   11  C   UNL     1       1.251  -0.804   0.143  1.00  0.00           C  
HETATM   12  C   UNL     1       2.333  -1.671   0.789  1.00  0.00           C  
HETATM   13  S   UNL     1       3.962  -1.168   0.170  1.00  0.00           S  
HETATM   14  C   UNL     1       5.065  -2.257   1.008  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.176  -0.296   0.126  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.851  -0.629  -0.825  1.00  0.00           O  
HETATM   17  O   UNL     1       4.139  -1.529  -1.193  1.00  0.00           O  
HETATM   18  O   UNL     1       4.340   0.108   0.668  1.00  0.00           O  
HETATM   19  C   UNL     1       5.599  -1.894   2.230  1.00  0.00           C  
HETATM   20  C   UNL     1       5.400  -3.472   0.441  1.00  0.00           C  
HETATM   21  C   UNL     1       6.460  -2.750   2.890  1.00  0.00           C  
HETATM   22  C   UNL     1       6.265  -4.327   1.098  1.00  0.00           C  
HETATM   23  C   UNL     1       6.795  -3.966   2.323  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.747   3.649  -0.186  1.00  0.00           C  
HETATM   25  N   UNL     1      -1.371   0.907   0.702  1.00  0.00           N  
HETATM   26  C   UNL     1      -2.399   1.811   0.181  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.752   1.457   0.801  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.506  -0.290   0.955  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.675   0.027   0.290  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.558  -0.932   2.178  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.898  -0.292   0.851  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.781  -1.248   2.741  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.950  -0.930   2.077  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.173   0.059   0.344  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.037   3.254   0.536  1.00  0.00           C  
HETATM   36  C   UNL     1       3.500   6.069  -2.092  1.00  0.00           C  
HETATM   37  C   UNL     1       3.558   5.571  -0.803  1.00  0.00           C  
HETATM   38  C   UNL     1       2.393   5.359  -0.091  1.00  0.00           C  
HETATM   39  C   UNL     1       1.168   5.636  -0.670  1.00  0.00           C  
HETATM   40  C   UNL     1       1.110   6.135  -1.958  1.00  0.00           C  
HETATM   41  C   UNL     1       2.276   6.351  -2.669  1.00  0.00           C  
HETATM   42  S   UNL     1      -0.317   5.360   0.236  1.00  0.00           S  
HETATM   43  O   UNL     1      -1.221   6.286  -0.351  1.00  0.00           O  
HETATM   44  O   UNL     1       0.111   5.475   1.586  1.00  0.00           O  
HETATM   45  H   UNL     1      -0.549  -5.896  -0.396  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.529  -4.650   0.421  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.920  -6.557  -0.446  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.363  -4.996  -1.177  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.627  -3.619  -3.533  1.00  0.00           H  
HETATM   50  H   UNL     1       0.062  -5.196  -3.066  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.031  -5.551  -4.308  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.899  -4.472  -3.191  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.566  -3.293   0.884  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.125  -1.188   1.755  1.00  0.00           H  
HETATM   55  H   UNL     1       1.283  -0.929  -0.939  1.00  0.00           H  
HETATM   56  H   UNL     1       1.428   0.243   0.393  1.00  0.00           H  
HETATM   57  H   UNL     1       2.302  -1.546   1.872  1.00  0.00           H  
HETATM   58  H   UNL     1       2.157  -2.718   0.539  1.00  0.00           H  
HETATM   59  H   UNL     1       5.337  -0.944   2.673  1.00  0.00           H  
HETATM   60  H   UNL     1       4.986  -3.754  -0.516  1.00  0.00           H  
HETATM   61  H   UNL     1       6.874  -2.469   3.847  1.00  0.00           H  
HETATM   62  H   UNL     1       6.527  -5.276   0.656  1.00  0.00           H  
HETATM   63  H   UNL     1       7.470  -4.634   2.837  1.00  0.00           H  
HETATM   64  H   UNL     1       0.060   2.985   0.124  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.893   3.566  -1.262  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.831   1.173   1.463  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.458   1.707  -0.903  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.669   1.474   1.888  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.499   2.184   0.483  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.634   0.526  -0.667  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.644  -1.181   2.697  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.811  -0.044   0.332  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.822  -1.746   3.699  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.905  -1.179   2.515  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.256   0.042  -0.743  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.426  -0.668   0.663  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.844   3.918   0.227  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.891   3.337   1.613  1.00  0.00           H  
HETATM   79  H   UNL     1       4.410   6.237  -2.647  1.00  0.00           H  
HETATM   80  H   UNL     1       4.514   5.350  -0.353  1.00  0.00           H  
HETATM   81  H   UNL     1       2.438   4.970   0.915  1.00  0.00           H  
HETATM   82  H   UNL     1       0.154   6.355  -2.409  1.00  0.00           H  
HETATM   83  H   UNL     1       2.230   6.740  -3.675  1.00  0.00           H  
CONECT    1    3    5    7                                            
CONECT    2    4    6                                                 
CONECT    3    1    4   45   46                                       
CONECT    4    2    3   47   48                                       
CONECT    5    1    6   49   50                                       
CONECT    6    2    5   51   52                                       
CONECT    7    1    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   53                                            
CONECT   10    9   11   15   54                                       
CONECT   11   10   12   55   56                                       
CONECT   12   11   13   57   58                                       
CONECT   13   12   14   17   17                                       
CONECT   13   18   18                                                 
CONECT   14   13   19   20   20                                       
CONECT   15   10   16   16   25                                       
CONECT   16   15   15                                                 
CONECT   17   13   13                                                 
CONECT   18   13   13                                                 
CONECT   19   14   21   21   59                                       
CONECT   20   14   14   22   60                                       
CONECT   21   19   19   23   61                                       
CONECT   22   20   23   23   62                                       
CONECT   23   21   22   22   63                                       
CONECT   24   35   42   64   65                                       
CONECT   25   15   26   66                                            
CONECT   26   25   27   35   67                                       
CONECT   27   26   34   68   69                                       
CONECT   28   29   29   30   34                                       
CONECT   29   28   28   31   70                                       
CONECT   30   28   32   32   71                                       
CONECT   31   29   33   33   72                                       
CONECT   32   30   30   33   73                                       
CONECT   33   31   31   32   74                                       
CONECT   34   27   28   75   76                                       
CONECT   35   24   26   77   78                                       
CONECT   36   37   41   41   79                                       
CONECT   37   36   38   38   80                                       
CONECT   38   37   37   39   81                                       
CONECT   39   38   40   40   42                                       
CONECT   40   39   39   41   82                                       
CONECT   41   36   36   40   83                                       
CONECT   42   24   39   43   43                                       
CONECT   42   44   44                                                 
CONECT   43   42   42                                                 
CONECT   44   42   42                                                 
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   12                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   27                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   32                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   34                                                      
CONECT   77   35                                                      
CONECT   78   35                                                      
CONECT   79   36                                                      
CONECT   80   37                                                      
CONECT   81   38                                                      
CONECT   82   40                                                      
CONECT   83   41                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
