COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -7.017  -3.261   2.649  1.00  0.00           O  
HETATM    2  C   UNL     1      -8.437  -3.100   2.671  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.327  -2.526   1.737  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.002  -1.665   0.885  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.298  -0.919  -0.041  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.923  -1.031  -0.119  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.248  -1.890   0.729  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.946  -2.633   1.661  1.00  0.00           C  
HETATM    9  S   UNL     1      -4.028  -0.079  -1.301  1.00  0.00           S  
HETATM   10  O   UNL     1      -2.808  -0.771  -1.532  1.00  0.00           O  
HETATM   11  O   UNL     1      -4.947   0.242  -2.336  1.00  0.00           O  
HETATM   12  N   UNL     1      -3.624   1.352  -0.573  1.00  0.00           N  
HETATM   13  C   UNL     1      -4.531   2.499  -0.659  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.453   2.513   0.562  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.617   2.700   1.830  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.450   3.666   0.434  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.359   1.471   0.157  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.286   2.042  -0.773  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.636   3.377  -1.143  1.00  0.00           O  
HETATM   20  C   UNL     1       0.063   2.050  -0.050  1.00  0.00           C  
HETATM   21  N   UNL     1       0.422   0.681   0.329  1.00  0.00           N  
HETATM   22  C   UNL     1       0.567  -0.265  -0.619  1.00  0.00           C  
HETATM   23  O   UNL     1       0.400   0.017  -1.789  1.00  0.00           O  
HETATM   24  O   UNL     1       0.897  -1.523  -0.271  1.00  0.00           O  
HETATM   25  C   UNL     1       1.037  -2.489  -1.346  1.00  0.00           C  
HETATM   26  C   UNL     1       2.133  -2.028  -2.308  1.00  0.00           C  
HETATM   27  C   UNL     1       1.412  -3.852  -0.760  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.289  -2.606  -2.101  1.00  0.00           C  
HETATM   29  C   UNL     1       1.136   2.620  -0.979  1.00  0.00           C  
HETATM   30  C   UNL     1       3.330   1.690  -0.221  1.00  0.00           C  
HETATM   31  C   UNL     1       4.532   1.805   0.474  1.00  0.00           C  
HETATM   32  C   UNL     1       4.826   2.983   1.158  1.00  0.00           C  
HETATM   33  C   UNL     1       3.926   4.029   1.143  1.00  0.00           C  
HETATM   34  C   UNL     1       2.734   3.910   0.452  1.00  0.00           C  
HETATM   35  C   UNL     1       2.437   2.743  -0.228  1.00  0.00           C  
HETATM   36  C   UNL     1       5.496   0.677   0.486  1.00  0.00           C  
HETATM   37  C   UNL     1       5.203  -0.498  -0.202  1.00  0.00           C  
HETATM   38  C   UNL     1       6.105  -1.550  -0.189  1.00  0.00           C  
HETATM   39  C   UNL     1       7.299  -1.434   0.508  1.00  0.00           C  
HETATM   40  C   UNL     1       7.593  -0.265   1.195  1.00  0.00           C  
HETATM   41  C   UNL     1       6.698   0.793   1.181  1.00  0.00           C  
HETATM   42  O   UNL     1       5.820  -2.697  -0.860  1.00  0.00           O  
HETATM   43  C   UNL     1       6.795  -3.741  -0.804  1.00  0.00           C  
HETATM   44  O   UNL     1       8.763  -0.155   1.877  1.00  0.00           O  
HETATM   45  C   UNL     1       9.642  -1.281   1.845  1.00  0.00           C  
HETATM   46  H   UNL     1      -8.864  -3.741   3.442  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.682  -2.060   2.886  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.849  -3.376   1.700  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.077  -1.577   0.945  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.823  -0.248  -0.705  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.173  -1.976   0.666  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.418  -3.300   2.326  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.950   3.421  -0.686  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.130   2.421  -1.566  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.994   1.569   0.619  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.979   3.576   1.719  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.279   2.838   2.684  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.997   1.817   1.989  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.046   3.533  -0.469  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.107   3.676   1.304  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.909   4.610   0.377  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.493   2.138   1.009  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.049   0.488   0.509  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.214   1.423  -1.668  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.717   3.984  -0.394  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.009   2.668   0.845  1.00  0.00           H  
HETATM   67  H   UNL     1       0.555   0.456   1.263  1.00  0.00           H  
HETATM   68  H   UNL     1       3.077  -1.945  -1.769  1.00  0.00           H  
HETATM   69  H   UNL     1       2.238  -2.754  -3.114  1.00  0.00           H  
HETATM   70  H   UNL     1       1.866  -1.057  -2.725  1.00  0.00           H  
HETATM   71  H   UNL     1       0.631  -4.181  -0.075  1.00  0.00           H  
HETATM   72  H   UNL     1       1.517  -4.578  -1.567  1.00  0.00           H  
HETATM   73  H   UNL     1       2.356  -3.769  -0.222  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.556  -1.636  -2.518  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.184  -3.332  -2.908  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.070  -2.935  -1.416  1.00  0.00           H  
HETATM   77  H   UNL     1       1.270   1.954  -1.831  1.00  0.00           H  
HETATM   78  H   UNL     1       0.826   3.604  -1.332  1.00  0.00           H  
HETATM   79  H   UNL     1       3.099   0.781  -0.756  1.00  0.00           H  
HETATM   80  H   UNL     1       5.757   3.077   1.698  1.00  0.00           H  
HETATM   81  H   UNL     1       4.153   4.943   1.673  1.00  0.00           H  
HETATM   82  H   UNL     1       2.032   4.731   0.444  1.00  0.00           H  
HETATM   83  H   UNL     1       4.274  -0.590  -0.745  1.00  0.00           H  
HETATM   84  H   UNL     1       8.000  -2.255   0.518  1.00  0.00           H  
HETATM   85  H   UNL     1       6.929   1.704   1.712  1.00  0.00           H  
HETATM   86  H   UNL     1       6.949  -4.039   0.233  1.00  0.00           H  
HETATM   87  H   UNL     1       6.444  -4.597  -1.380  1.00  0.00           H  
HETATM   88  H   UNL     1       7.736  -3.382  -1.223  1.00  0.00           H  
HETATM   89  H   UNL     1       9.136  -2.149   2.269  1.00  0.00           H  
HETATM   90  H   UNL     1       9.923  -1.493   0.813  1.00  0.00           H  
HETATM   91  H   UNL     1      10.536  -1.061   2.428  1.00  0.00           H  
CONECT    1    2    3                                                 
CONECT    2    1   46   47   48                                       
CONECT    3    4    1    8    8                                       
CONECT    4    5    5    3   49                                       
CONECT    5    4    4    6   50                                       
CONECT    6    5    9    7    7                                       
CONECT    7    6    6    8   51                                       
CONECT    8    3    3    7   52                                       
CONECT    9   11   11   12    6                                       
CONECT    9   10   10                                                 
CONECT   10    9    9                                                 
CONECT   11    9    9                                                 
CONECT   12   13    9   17                                            
CONECT   13   14   12   53   54                                       
CONECT   14   16   15   13   55                                       
CONECT   15   14   56   57   58                                       
CONECT   16   14   59   60   61                                       
CONECT   17   12   18   62   63                                       
CONECT   18   20   19   17   64                                       
CONECT   19   18   65                                                 
CONECT   20   21   18   29   66                                       
CONECT   21   22   20   67                                            
CONECT   22   23   23   24   21                                       
CONECT   23   22   22                                                 
CONECT   24   25   22                                                 
CONECT   25   28   26   27   24                                       
CONECT   26   25   68   69   70                                       
CONECT   27   25   71   72   73                                       
CONECT   28   25   74   75   76                                       
CONECT   29   20   35   77   78                                       
CONECT   30   31   31   35   79                                       
CONECT   31   36   30   30   32                                       
CONECT   32   31   33   33   80                                       
CONECT   33   32   32   34   81                                       
CONECT   34   35   35   33   82                                       
CONECT   35   29   30   34   34                                       
CONECT   36   37   31   41   41                                       
CONECT   37   38   38   36   83                                       
CONECT   38   42   37   37   39                                       
CONECT   39   38   40   40   84                                       
CONECT   40   39   39   41   44                                       
CONECT   41   36   36   40   85                                       
CONECT   42   43   38                                                 
CONECT   43   42   86   87   88                                       
CONECT   44   45   40                                                 
CONECT   45   44   89   90   91                                       
CONECT   46    2                                                      
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   26                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   27                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   28                                                      
CONECT   76   28                                                      
CONECT   77   29                                                      
CONECT   78   29                                                      
CONECT   79   30                                                      
CONECT   80   32                                                      
CONECT   81   33                                                      
CONECT   82   34                                                      
CONECT   83   37                                                      
CONECT   84   39                                                      
CONECT   85   41                                                      
CONECT   86   43                                                      
CONECT   87   43                                                      
CONECT   88   43                                                      
CONECT   89   45                                                      
CONECT   90   45                                                      
CONECT   91   45                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
