COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.225   0.188   1.080  1.00  0.00           C  
HETATM    2  N   UNL     1       4.169  -0.025   0.087  1.00  0.00           N  
HETATM    3  O   UNL     1       4.327   4.906   0.481  1.00  0.00           O  
HETATM    4  S   UNL     1       5.527   4.178   0.258  1.00  0.00           S  
HETATM    5  C   UNL     1       5.655   1.633   1.053  1.00  0.00           C  
HETATM    6  N   UNL     1       5.713  -4.180   1.747  1.00  0.00           N  
HETATM    7  O   UNL     1       6.603   4.240   1.183  1.00  0.00           O  
HETATM    8  C   UNL     1       5.024   2.490   0.289  1.00  0.00           C  
HETATM    9  N   UNL     1       0.500   0.355  -0.033  1.00  0.00           N  
HETATM   10  O   UNL     1       2.602   0.635   1.511  1.00  0.00           O  
HETATM   11  C   UNL     1       6.126   4.441  -1.434  1.00  0.00           C  
HETATM   12  N   UNL     1      -3.023  -0.579  -0.612  1.00  0.00           N  
HETATM   13  O   UNL     1      -0.567  -0.990  -1.437  1.00  0.00           O  
HETATM   14  C   UNL     1       6.422  -0.706   0.752  1.00  0.00           C  
HETATM   15  N   UNL     1      -6.637  -0.114  -1.215  1.00  0.00           N  
HETATM   16  O   UNL     1      -8.982   1.107  -2.163  1.00  0.00           O  
HETATM   17  C   UNL     1       6.023  -2.152   0.899  1.00  0.00           C  
HETATM   18  N   UNL     1      -4.748   1.474   3.288  1.00  0.00           N  
HETATM   19  O   UNL     1      -4.532   0.952  -0.065  1.00  0.00           O  
HETATM   20  C   UNL     1       5.371  -2.984  -0.116  1.00  0.00           C  
HETATM   21  C   UNL     1       5.199  -4.251   0.472  1.00  0.00           C  
HETATM   22  C   UNL     1       6.199  -2.923   1.984  1.00  0.00           C  
HETATM   23  C   UNL     1       4.940  -2.759  -1.424  1.00  0.00           C  
HETATM   24  C   UNL     1       4.352  -3.771  -2.128  1.00  0.00           C  
HETATM   25  C   UNL     1       4.178  -5.022  -1.553  1.00  0.00           C  
HETATM   26  C   UNL     1       4.597  -5.267  -0.263  1.00  0.00           C  
HETATM   27  C   UNL     1       2.884   0.229   0.404  1.00  0.00           C  
HETATM   28  C   UNL     1       1.798   0.009  -0.618  1.00  0.00           C  
HETATM   29  C   UNL     1       2.060   0.894  -1.838  1.00  0.00           C  
HETATM   30  C   UNL     1       1.030   0.581  -2.925  1.00  0.00           C  
HETATM   31  C   UNL     1       1.212   1.549  -4.096  1.00  0.00           C  
HETATM   32  C   UNL     1       1.227  -0.855  -3.416  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.627  -0.202  -0.517  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.962   0.154   0.085  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.970  -0.223   1.567  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.257   0.243   2.197  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.894   1.924  -1.722  1.00  0.00           C  
HETATM   38  C   UNL     1      -9.069  -0.150  -1.486  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.766  -0.926  -1.692  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.579   1.169  -1.932  1.00  0.00           C  
HETATM   41  C   UNL     1      -5.370  -0.846  -1.344  1.00  0.00           C  
HETATM   42  C   UNL     1      -4.279  -0.092  -0.628  1.00  0.00           C  
HETATM   43  C   UNL     1      -4.534  -0.476   2.207  1.00  0.00           C  
HETATM   44  C   UNL     1      -5.437   0.345   2.907  1.00  0.00           C  
HETATM   45  C   UNL     1      -3.451   1.396   2.857  1.00  0.00           C  
HETATM   46  C   UNL     1      -4.960  -1.703   1.697  1.00  0.00           C  
HETATM   47  C   UNL     1      -6.254  -2.102   1.880  1.00  0.00           C  
HETATM   48  C   UNL     1      -7.149  -1.295   2.569  1.00  0.00           C  
HETATM   49  C   UNL     1      -6.750  -0.080   3.081  1.00  0.00           C  
HETATM   50  H   UNL     1       4.846  -0.060   2.071  1.00  0.00           H  
HETATM   51  H   UNL     1       4.395  -0.350  -0.799  1.00  0.00           H  
HETATM   52  H   UNL     1       6.484   1.961   1.663  1.00  0.00           H  
HETATM   53  H   UNL     1       6.745  -0.521  -0.272  1.00  0.00           H  
HETATM   54  H   UNL     1       7.240  -0.484   1.437  1.00  0.00           H  
HETATM   55  H   UNL     1       4.195   2.162  -0.321  1.00  0.00           H  
HETATM   56  H   UNL     1       6.461   5.472  -1.545  1.00  0.00           H  
HETATM   57  H   UNL     1       6.957   3.765  -1.634  1.00  0.00           H  
HETATM   58  H   UNL     1       5.319   4.243  -2.140  1.00  0.00           H  
HETATM   59  H   UNL     1       5.724  -4.911   2.385  1.00  0.00           H  
HETATM   60  H   UNL     1       6.655  -2.598   2.908  1.00  0.00           H  
HETATM   61  H   UNL     1       0.453   0.986   0.703  1.00  0.00           H  
HETATM   62  H   UNL     1       1.792  -1.037  -0.922  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.820  -1.414  -1.061  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.133   1.225  -0.019  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.636  -1.143  -2.753  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.805  -1.860  -1.131  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.752   1.765  -1.545  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.430   0.985  -2.996  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.477  -1.837  -0.903  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.112  -0.944  -2.398  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.878   2.850  -2.298  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.017   2.155  -0.664  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.226   0.021  -0.421  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.903  -0.724  -1.890  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.126   2.217   3.785  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.696   2.151   3.022  1.00  0.00           H  
HETATM   77  H   UNL     1       5.070  -1.787  -1.878  1.00  0.00           H  
HETATM   78  H   UNL     1       4.459  -6.244   0.175  1.00  0.00           H  
HETATM   79  H   UNL     1       4.018  -3.596  -3.141  1.00  0.00           H  
HETATM   80  H   UNL     1       3.712  -5.812  -2.122  1.00  0.00           H  
HETATM   81  H   UNL     1       1.978   1.942  -1.552  1.00  0.00           H  
HETATM   82  H   UNL     1       3.062   0.699  -2.220  1.00  0.00           H  
HETATM   83  H   UNL     1       0.025   0.690  -2.516  1.00  0.00           H  
HETATM   84  H   UNL     1       2.217   1.439  -4.504  1.00  0.00           H  
HETATM   85  H   UNL     1       0.478   1.326  -4.870  1.00  0.00           H  
HETATM   86  H   UNL     1       1.072   2.572  -3.746  1.00  0.00           H  
HETATM   87  H   UNL     1       1.096  -1.545  -2.582  1.00  0.00           H  
HETATM   88  H   UNL     1       0.493  -1.078  -4.190  1.00  0.00           H  
HETATM   89  H   UNL     1       2.231  -0.965  -3.825  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.888  -1.306   1.667  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.127   0.252   2.068  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.269  -2.336   1.159  1.00  0.00           H  
HETATM   93  H   UNL     1      -7.453   0.540   3.616  1.00  0.00           H  
HETATM   94  H   UNL     1      -6.583  -3.052   1.485  1.00  0.00           H  
HETATM   95  H   UNL     1      -8.169  -1.623   2.705  1.00  0.00           H  
CONECT    1    2    5   14   50                                       
CONECT    2    1   27   51                                            
CONECT    3    4    4                                                 
CONECT    4    3    3    7    7                                       
CONECT    4    8   11                                                 
CONECT    5    1    8    8   52                                       
CONECT    6   21   22   59                                            
CONECT    7    4    4                                                 
CONECT    8    4    5    5   55                                       
CONECT    9   28   33   61                                            
CONECT   10   27   27                                                 
CONECT   11    4   56   57   58                                       
CONECT   12   34   42   63                                            
CONECT   13   33   33                                                 
CONECT   14    1   17   53   54                                       
CONECT   15   39   40   41                                            
CONECT   16   37   38                                                 
CONECT   17   14   20   22   22                                       
CONECT   18   44   45   75                                            
CONECT   19   42   42                                                 
CONECT   20   17   21   23   23                                       
CONECT   21    6   20   26   26                                       
CONECT   22    6   17   17   60                                       
CONECT   23   20   20   24   77                                       
CONECT   24   23   25   25   79                                       
CONECT   25   24   24   26   80                                       
CONECT   26   21   21   25   78                                       
CONECT   27    2   10   10   28                                       
CONECT   28    9   27   29   62                                       
CONECT   29   28   30   81   82                                       
CONECT   30   29   31   32   83                                       
CONECT   31   30   84   85   86                                       
CONECT   32   30   87   88   89                                       
CONECT   33    9   13   13   34                                       
CONECT   34   12   33   35   64                                       
CONECT   35   34   36   90   91                                       
CONECT   36   35   43   45   45                                       
CONECT   37   16   40   71   72                                       
CONECT   38   16   39   73   74                                       
CONECT   39   15   38   65   66                                       
CONECT   40   15   37   67   68                                       
CONECT   41   15   42   69   70                                       
CONECT   42   12   19   19   41                                       
CONECT   43   36   44   46   46                                       
CONECT   44   18   43   49   49                                       
CONECT   45   18   36   36   76                                       
CONECT   46   43   43   47   92                                       
CONECT   47   46   48   48   94                                       
CONECT   48   47   47   49   95                                       
CONECT   49   44   44   48   93                                       
CONECT   50    1                                                      
CONECT   51    2                                                      
CONECT   52    5                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55    8                                                      
CONECT   56   11                                                      
CONECT   57   11                                                      
CONECT   58   11                                                      
CONECT   59    6                                                      
CONECT   60   22                                                      
CONECT   61    9                                                      
CONECT   62   28                                                      
CONECT   63   12                                                      
CONECT   64   34                                                      
CONECT   65   39                                                      
CONECT   66   39                                                      
CONECT   67   40                                                      
CONECT   68   40                                                      
CONECT   69   41                                                      
CONECT   70   41                                                      
CONECT   71   37                                                      
CONECT   72   37                                                      
CONECT   73   38                                                      
CONECT   74   38                                                      
CONECT   75   18                                                      
CONECT   76   45                                                      
CONECT   77   23                                                      
CONECT   78   26                                                      
CONECT   79   24                                                      
CONECT   80   25                                                      
CONECT   81   29                                                      
CONECT   82   29                                                      
CONECT   83   30                                                      
CONECT   84   31                                                      
CONECT   85   31                                                      
CONECT   86   31                                                      
CONECT   87   32                                                      
CONECT   88   32                                                      
CONECT   89   32                                                      
CONECT   90   35                                                      
CONECT   91   35                                                      
CONECT   92   46                                                      
CONECT   93   49                                                      
CONECT   94   47                                                      
CONECT   95   48                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
