COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.733  -0.670   1.593  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.083  -2.248   2.982  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.959  -1.316  -0.103  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.665  -0.708   0.442  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.468  -1.501  -0.086  1.00  0.00           C  
HETATM    6  C   UNL     1       0.905  -1.026  -0.376  1.00  0.00           C  
HETATM    7  O   UNL     1       0.893  -1.726  -1.369  1.00  0.00           O  
HETATM    8  C   UNL     1       3.225  -0.663  -0.802  1.00  0.00           C  
HETATM    9  C   UNL     1       4.938   0.442  -2.143  1.00  0.00           C  
HETATM   10  C   UNL     1       6.342   1.911  -1.099  1.00  0.00           C  
HETATM   11  C   UNL     1       5.627  -0.257  -0.946  1.00  0.00           C  
HETATM   12  O   UNL     1       6.938   2.941  -0.852  1.00  0.00           O  
HETATM   13  O   UNL     1       5.482   1.793  -2.117  1.00  0.00           O  
HETATM   14  N   UNL     1       6.486   0.791  -0.379  1.00  0.00           N  
HETATM   15  C   UNL     1       7.320   0.644   0.736  1.00  0.00           C  
HETATM   16  C   UNL     1       7.386  -0.574   1.399  1.00  0.00           C  
HETATM   17  C   UNL     1       8.210  -0.717   2.498  1.00  0.00           C  
HETATM   18  C   UNL     1       8.968   0.353   2.939  1.00  0.00           C  
HETATM   19  C   UNL     1       8.903   1.567   2.282  1.00  0.00           C  
HETATM   20  C   UNL     1       8.087   1.714   1.178  1.00  0.00           C  
HETATM   21  C   UNL     1       3.433   0.493  -1.811  1.00  0.00           C  
HETATM   22  C   UNL     1       4.510  -0.600   0.060  1.00  0.00           C  
HETATM   23  O   UNL     1       2.046  -0.428   0.013  1.00  0.00           O  
HETATM   24  N   UNL     1      -0.226  -0.850   0.337  1.00  0.00           N  
HETATM   25  C   UNL     1      -1.513  -2.925   0.472  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.405  -3.741  -0.144  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.628  -4.436  -1.317  1.00  0.00           C  
HETATM   28  C   UNL     1       0.387  -5.184  -1.882  1.00  0.00           C  
HETATM   29  C   UNL     1       1.627  -5.237  -1.272  1.00  0.00           C  
HETATM   30  C   UNL     1       1.851  -4.542  -0.099  1.00  0.00           C  
HETATM   31  C   UNL     1       0.836  -3.790   0.463  1.00  0.00           C  
HETATM   32  O   UNL     1      -2.678  -0.760   1.870  1.00  0.00           O  
HETATM   33  N   UNL     1      -5.095  -0.477   0.288  1.00  0.00           N  
HETATM   34  C   UNL     1      -6.530  -1.976   1.582  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.689  -1.858   0.589  1.00  0.00           C  
HETATM   36  S   UNL     1      -5.657   0.690  -0.743  1.00  0.00           S  
HETATM   37  O   UNL     1      -5.262   0.294  -2.050  1.00  0.00           O  
HETATM   38  O   UNL     1      -7.009   0.930  -0.380  1.00  0.00           O  
HETATM   39  C   UNL     1      -4.774   2.173  -0.385  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.591   2.449  -1.045  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.898   3.610  -0.765  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.269   3.061   0.553  1.00  0.00           C  
HETATM   43  C   UNL     1      -4.580   4.224   0.835  1.00  0.00           C  
HETATM   44  C   UNL     1      -3.389   4.500   0.179  1.00  0.00           C  
HETATM   45  O   UNL     1      -2.710   5.644   0.455  1.00  0.00           O  
HETATM   46  C   UNL     1      -1.491   5.863  -0.259  1.00  0.00           C  
HETATM   47  H   UNL     1      -4.969  -0.718   2.368  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.405   0.164   1.796  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.735  -1.427   3.280  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.651  -3.178   2.974  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.258  -2.332   3.689  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.905  -1.370  -1.190  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.090  -2.318   0.305  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.585   0.329   0.117  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.507  -1.536  -1.175  1.00  0.00           H  
HETATM   56  H   UNL     1       3.152  -1.621  -1.317  1.00  0.00           H  
HETATM   57  H   UNL     1       5.144  -0.062  -3.086  1.00  0.00           H  
HETATM   58  H   UNL     1       6.199  -1.132  -1.256  1.00  0.00           H  
HETATM   59  H   UNL     1       6.794  -1.410   1.055  1.00  0.00           H  
HETATM   60  H   UNL     1       8.262  -1.664   3.014  1.00  0.00           H  
HETATM   61  H   UNL     1       9.611   0.239   3.799  1.00  0.00           H  
HETATM   62  H   UNL     1       9.496   2.401   2.629  1.00  0.00           H  
HETATM   63  H   UNL     1       8.040   2.662   0.661  1.00  0.00           H  
HETATM   64  H   UNL     1       2.839   0.326  -2.710  1.00  0.00           H  
HETATM   65  H   UNL     1       3.176   1.449  -1.355  1.00  0.00           H  
HETATM   66  H   UNL     1       4.424   0.182   0.815  1.00  0.00           H  
HETATM   67  H   UNL     1       4.702  -1.565   0.529  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.216  -0.291   1.130  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.384  -2.895   1.554  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.474  -3.379   0.232  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.597  -4.394  -1.794  1.00  0.00           H  
HETATM   72  H   UNL     1       0.213  -5.728  -2.799  1.00  0.00           H  
HETATM   73  H   UNL     1       2.421  -5.823  -1.713  1.00  0.00           H  
HETATM   74  H   UNL     1       2.819  -4.584   0.377  1.00  0.00           H  
HETATM   75  H   UNL     1       1.012  -3.243   1.378  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.747  -1.655   2.230  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.878  -2.797   1.283  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.257  -2.789   0.581  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.341  -1.037   0.888  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.294  -1.665  -0.408  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.209   1.755  -1.779  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.973   3.825  -1.280  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.196   2.845   1.063  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.967   4.917   1.567  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.051   6.809   0.055  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.796   5.050  -0.049  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.698   5.896  -1.329  1.00  0.00           H  
CONECT    1   34   33   47   48                                       
CONECT    2   34   49   50   51                                       
CONECT    3   33    4   52   53                                       
CONECT    4    5    3   32   54                                       
CONECT    5   24    4   25   55                                       
CONECT    6    7    7   23   24                                       
CONECT    7    6    6                                                 
CONECT    8   21   22   23   56                                       
CONECT    9   21   11   13   57                                       
CONECT   10   13   14   12   12                                       
CONECT   11    9   22   14   58                                       
CONECT   12   10   10                                                 
CONECT   13    9   10                                                 
CONECT   14   11   10   15                                            
CONECT   15   14   16   16   20                                       
CONECT   16   15   15   17   59                                       
CONECT   17   16   18   18   60                                       
CONECT   18   17   17   19   61                                       
CONECT   19   20   20   18   62                                       
CONECT   20   15   19   19   63                                       
CONECT   21    8    9   64   65                                       
CONECT   22    8   11   66   67                                       
CONECT   23    8    6                                                 
CONECT   24    6    5   68                                            
CONECT   25    5   26   69   70                                       
CONECT   26   27   25   31   31                                       
CONECT   27   28   28   26   71                                       
CONECT   28   27   27   29   72                                       
CONECT   29   28   30   30   73                                       
CONECT   30   29   29   31   74                                       
CONECT   31   26   26   30   75                                       
CONECT   32    4   76                                                 
CONECT   33    1   36    3                                            
CONECT   34   35    2    1   77                                       
CONECT   35   34   78   79   80                                       
CONECT   36   38   38   33   39                                       
CONECT   36   37   37                                                 
CONECT   37   36   36                                                 
CONECT   38   36   36                                                 
CONECT   39   42   36   40   40                                       
CONECT   40   39   39   41   81                                       
CONECT   41   44   44   40   82                                       
CONECT   42   43   43   39   83                                       
CONECT   43   42   42   44   84                                       
CONECT   44   43   45   41   41                                       
CONECT   45   46   44                                                 
CONECT   46   45   85   86   87                                       
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    2                                                      
CONECT   50    2                                                      
CONECT   51    2                                                      
CONECT   52    3                                                      
CONECT   53    3                                                      
CONECT   54    4                                                      
CONECT   55    5                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58   11                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   22                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   32                                                      
CONECT   77   34                                                      
CONECT   78   35                                                      
CONECT   79   35                                                      
CONECT   80   35                                                      
CONECT   81   40                                                      
CONECT   82   41                                                      
CONECT   83   42                                                      
CONECT   84   43                                                      
CONECT   85   46                                                      
CONECT   86   46                                                      
CONECT   87   46                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
