COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.713  -4.014   1.273  1.00  0.00           O  
HETATM    2  C   UNL     1       6.239  -3.712  -0.022  1.00  0.00           C  
HETATM    3  C   UNL     1       5.211  -2.887  -0.804  1.00  0.00           C  
HETATM    4  N   UNL     1       4.812  -1.737   0.023  1.00  0.00           N  
HETATM    5  C   UNL     1       4.392  -1.995   1.409  1.00  0.00           C  
HETATM    6  C   UNL     1       5.460  -2.864   2.084  1.00  0.00           C  
HETATM    7  S   UNL     1       4.835  -0.198  -0.589  1.00  0.00           S  
HETATM    8  O   UNL     1       4.950   0.675   0.527  1.00  0.00           O  
HETATM    9  O   UNL     1       5.762  -0.209  -1.666  1.00  0.00           O  
HETATM   10  N   UNL     1       3.346   0.087  -1.255  1.00  0.00           N  
HETATM   11  C   UNL     1       2.157   0.127  -0.400  1.00  0.00           C  
HETATM   12  C   UNL     1       0.982  -0.447  -1.148  1.00  0.00           C  
HETATM   13  O   UNL     1       1.123  -0.850  -2.284  1.00  0.00           O  
HETATM   14  C   UNL     1       1.856   1.576  -0.012  1.00  0.00           C  
HETATM   15  C   UNL     1       2.978   2.110   0.841  1.00  0.00           C  
HETATM   16  C   UNL     1       4.059   2.737   0.249  1.00  0.00           C  
HETATM   17  C   UNL     1       2.924   1.979   2.216  1.00  0.00           C  
HETATM   18  C   UNL     1       5.088   3.227   1.031  1.00  0.00           C  
HETATM   19  C   UNL     1       3.953   2.470   2.999  1.00  0.00           C  
HETATM   20  C   UNL     1       5.036   3.091   2.406  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.227  -0.513  -0.556  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.393  -0.966  -1.318  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.561  -0.057  -1.038  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.030   0.620  -1.928  1.00  0.00           O  
HETATM   25  S   UNL     1      -1.814  -2.661  -0.828  1.00  0.00           S  
HETATM   26  C   UNL     1      -1.244  -3.648  -2.239  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.643  -5.111  -2.033  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.279   0.815   0.454  1.00  0.00           C  
HETATM   29  N   UNL     1      -3.086   0.004   0.202  1.00  0.00           N  
HETATM   30  C   UNL     1      -3.864   2.264   0.717  1.00  0.00           C  
HETATM   31  O   UNL     1      -3.005   2.314   1.858  1.00  0.00           O  
HETATM   32  C   UNL     1      -3.123   2.812  -0.504  1.00  0.00           C  
HETATM   33  O   UNL     1      -3.983   2.763  -1.645  1.00  0.00           O  
HETATM   34  C   UNL     1      -2.708   4.261  -0.241  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.893   4.782  -1.426  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.605   6.272  -1.233  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.572   4.014  -1.512  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.020   0.267   1.675  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.513  -1.150   1.378  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.574  -1.101   0.276  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.122  -1.754   2.645  1.00  0.00           C  
HETATM   42  C   UNL     1      -7.067  -2.519  -0.020  1.00  0.00           C  
HETATM   43  C   UNL     1      -6.616  -3.172   2.349  1.00  0.00           C  
HETATM   44  C   UNL     1      -7.676  -3.123   1.247  1.00  0.00           C  
HETATM   45  H   UNL     1       7.161  -3.140   0.084  1.00  0.00           H  
HETATM   46  H   UNL     1       6.444  -4.640  -0.556  1.00  0.00           H  
HETATM   47  H   UNL     1       5.656  -2.533  -1.735  1.00  0.00           H  
HETATM   48  H   UNL     1       4.338  -3.501  -1.025  1.00  0.00           H  
HETATM   49  H   UNL     1       4.295  -1.051   1.945  1.00  0.00           H  
HETATM   50  H   UNL     1       3.437  -2.520   1.412  1.00  0.00           H  
HETATM   51  H   UNL     1       5.105  -3.181   3.065  1.00  0.00           H  
HETATM   52  H   UNL     1       6.379  -2.289   2.197  1.00  0.00           H  
HETATM   53  H   UNL     1       3.262   0.228  -2.211  1.00  0.00           H  
HETATM   54  H   UNL     1       2.337  -0.461   0.500  1.00  0.00           H  
HETATM   55  H   UNL     1       1.765   2.182  -0.913  1.00  0.00           H  
HETATM   56  H   UNL     1       0.923   1.615   0.550  1.00  0.00           H  
HETATM   57  H   UNL     1       4.099   2.843  -0.825  1.00  0.00           H  
HETATM   58  H   UNL     1       2.077   1.494   2.680  1.00  0.00           H  
HETATM   59  H   UNL     1       5.932   3.716   0.568  1.00  0.00           H  
HETATM   60  H   UNL     1       3.910   2.368   4.073  1.00  0.00           H  
HETATM   61  H   UNL     1       5.840   3.474   3.017  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.325  -0.260   0.375  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.162  -0.943  -2.383  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.702  -3.272  -3.154  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.159  -3.576  -2.318  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.301  -5.704  -2.881  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.186  -5.487  -1.118  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.728  -5.183  -1.954  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.935   0.777  -0.416  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.673  -0.490   0.928  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.752   2.868   0.904  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.193   1.798   1.761  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.235   2.209  -0.692  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.794   3.279  -1.548  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.599   4.877  -0.115  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.104   4.307   0.665  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.457   4.637  -2.347  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.100   6.662  -2.116  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.543   6.806  -1.084  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.967   6.408  -0.359  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.776   2.953  -1.650  1.00  0.00           H  
HETATM   82  H   UNL     1       0.010   4.385  -2.356  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.007   4.159  -0.591  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.345   0.245   2.530  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.872   0.908   1.901  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.676  -1.765   1.049  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.411  -0.487   0.605  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.140  -0.671  -0.626  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.367  -1.789   3.431  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.960  -1.139   2.974  1.00  0.00           H  
HETATM   91  H   UNL     1      -7.822  -2.484  -0.805  1.00  0.00           H  
HETATM   92  H   UNL     1      -6.229  -3.134  -0.349  1.00  0.00           H  
HETATM   93  H   UNL     1      -5.778  -3.786   2.020  1.00  0.00           H  
HETATM   94  H   UNL     1      -7.049  -3.602   3.252  1.00  0.00           H  
HETATM   95  H   UNL     1      -8.514  -2.508   1.576  1.00  0.00           H  
HETATM   96  H   UNL     1      -8.027  -4.133   1.036  1.00  0.00           H  
CONECT    1    2    6                                                 
CONECT    2    1    3   45   46                                       
CONECT    3    2    4   47   48                                       
CONECT    4    3    5    7                                            
CONECT    5    4    6   49   50                                       
CONECT    6    1    5   51   52                                       
CONECT    7    4    8    8    9                                       
CONECT    7    9   10                                                 
CONECT    8    7    7                                                 
CONECT    9    7    7                                                 
CONECT   10   11   53    7                                            
CONECT   11   10   12   14   54                                       
CONECT   12   11   13   13   21                                       
CONECT   13   12   12                                                 
CONECT   14   11   15   55   56                                       
CONECT   15   14   16   16   17                                       
CONECT   16   15   15   18   57                                       
CONECT   17   15   19   19   58                                       
CONECT   18   16   20   20   59                                       
CONECT   19   17   17   20   60                                       
CONECT   20   18   18   19   61                                       
CONECT   21   22   62   12                                            
CONECT   22   21   23   25   63                                       
CONECT   23   22   24   24   29                                       
CONECT   24   23   23                                                 
CONECT   25   22   26                                                 
CONECT   26   25   27   64   65                                       
CONECT   27   26   66   67   68                                       
CONECT   28   29   30   38   69                                       
CONECT   29   28   70   23                                            
CONECT   30   28   31   32   71                                       
CONECT   31   30   72                                                 
CONECT   32   30   33   34   73                                       
CONECT   33   32   74                                                 
CONECT   34   32   35   75   76                                       
CONECT   35   34   36   37   77                                       
CONECT   36   35   78   79   80                                       
CONECT   37   35   81   82   83                                       
CONECT   38   28   39   84   85                                       
CONECT   39   38   40   41   86                                       
CONECT   40   39   42   87   88                                       
CONECT   41   39   43   89   90                                       
CONECT   42   40   44   91   92                                       
CONECT   43   41   44   93   94                                       
CONECT   44   42   43   95   96                                       
CONECT   45    2                                                      
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   26                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
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   36                                                      
CONECT   79   36                                                      
CONECT   80   36                                                      
CONECT   81   37                                                      
CONECT   82   37                                                      
CONECT   83   37                                                      
CONECT   84   38                                                      
CONECT   85   38                                                      
CONECT   86   39                                                      
CONECT   87   40                                                      
CONECT   88   40                                                      
CONECT   89   41                                                      
CONECT   90   41                                                      
CONECT   91   42                                                      
CONECT   92   42                                                      
CONECT   93   43                                                      
CONECT   94   43                                                      
CONECT   95   44                                                      
CONECT   96   44                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
