COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       7.310   0.540   1.210  1.00  0.00           O  
HETATM    2  S   UNL     1       6.236   1.332   1.700  1.00  0.00           S  
HETATM    3  O   UNL     1       6.060   0.958   3.165  1.00  0.00           O  
HETATM    4  O   UNL     1       6.230   2.752   1.644  1.00  0.00           O  
HETATM    5  C   UNL     1       4.791   0.794   0.847  1.00  0.00           C  
HETATM    6  C   UNL     1       3.704   1.657   0.725  1.00  0.00           C  
HETATM    7  C   UNL     1       2.573   1.272   0.073  1.00  0.00           C  
HETATM    8  S   UNL     1       1.211   2.381  -0.068  1.00  0.00           S  
HETATM    9  O   UNL     1       0.101   1.733   0.538  1.00  0.00           O  
HETATM   10  O   UNL     1       1.526   3.593   0.796  1.00  0.00           O  
HETATM   11  O   UNL     1       1.204   2.839  -1.414  1.00  0.00           O  
HETATM   12  C   UNL     1       4.755  -0.457   0.312  1.00  0.00           C  
HETATM   13  C   UNL     1       3.606  -0.887  -0.374  1.00  0.00           C  
HETATM   14  C   UNL     1       3.532  -2.174  -0.933  1.00  0.00           C  
HETATM   15  S   UNL     1       4.903  -3.274  -0.801  1.00  0.00           S  
HETATM   16  O   UNL     1       4.344  -4.689  -0.775  1.00  0.00           O  
HETATM   17  O   UNL     1       5.633  -3.153  -2.014  1.00  0.00           O  
HETATM   18  O   UNL     1       5.477  -3.046   0.478  1.00  0.00           O  
HETATM   19  C   UNL     1       2.400  -2.571  -1.578  1.00  0.00           C  
HETATM   20  C   UNL     1       1.304  -1.721  -1.695  1.00  0.00           C  
HETATM   21  C   UNL     1       2.497  -0.013  -0.487  1.00  0.00           C  
HETATM   22  C   UNL     1       1.337  -0.451  -1.160  1.00  0.00           C  
HETATM   23  N   UNL     1       0.234   0.394  -1.284  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.984  -0.026  -0.886  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.105  -1.101  -0.332  1.00  0.00           O  
HETATM   26  C   UNL     1      -2.171   0.822  -1.123  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.442   0.356  -0.787  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.024   2.094  -1.679  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.135   2.884  -1.900  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.394   2.420  -1.572  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.602   3.288  -1.816  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.551   1.157  -1.012  1.00  0.00           C  
HETATM   33  N   UNL     1      -5.828   0.694  -0.677  1.00  0.00           N  
HETATM   34  C   UNL     1      -5.990  -0.136   0.373  1.00  0.00           C  
HETATM   35  O   UNL     1      -5.043  -0.406   1.086  1.00  0.00           O  
HETATM   36  C   UNL     1      -7.318  -0.720   0.656  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.490  -1.575   1.744  1.00  0.00           C  
HETATM   38  C   UNL     1      -8.407  -0.412  -0.162  1.00  0.00           C  
HETATM   39  C   UNL     1      -9.646  -0.957   0.105  1.00  0.00           C  
HETATM   40  C   UNL     1      -9.816  -1.808   1.180  1.00  0.00           C  
HETATM   41  C   UNL     1      -8.739  -2.117   2.004  1.00  0.00           C  
HETATM   42  N   UNL     1      -8.916  -2.975   3.092  1.00  0.00           N  
HETATM   43  H   UNL     1       3.760   2.647   1.155  1.00  0.00           H  
HETATM   44  H   UNL     1       5.605  -1.116   0.414  1.00  0.00           H  
HETATM   45  H   UNL     1       2.352  -3.562  -2.005  1.00  0.00           H  
HETATM   46  H   UNL     1       0.418  -2.061  -2.211  1.00  0.00           H  
HETATM   47  H   UNL     1       0.343   1.282  -1.657  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.562  -0.626  -0.352  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.041   2.460  -1.937  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.019   3.867  -2.330  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.990   3.096  -2.816  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.370   3.058  -1.078  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.318   4.337  -1.731  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.597   0.971  -1.199  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.652  -1.814   2.383  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.279   0.253  -1.004  1.00  0.00           H  
HETATM   57  H   UNL     1     -10.488  -0.717  -0.529  1.00  0.00           H  
HETATM   58  H   UNL     1     -10.788  -2.231   1.384  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.165  -3.191   3.667  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.790  -3.354   3.274  1.00  0.00           H  
HETATM   61  H   UNL     1       6.805   1.211   3.727  1.00  0.00           H  
HETATM   62  H   UNL     1       0.836   4.271   0.790  1.00  0.00           H  
HETATM   63  H   UNL     1       5.019  -5.378  -0.703  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    5    4    4    1                                       
CONECT    2    1    3                                                 
CONECT    3    2   61                                                 
CONECT    4    2    2                                                 
CONECT    5   12   12    6    2                                       
CONECT    6    7    7    5   43                                       
CONECT    7   21    8    6    6                                       
CONECT    8   11   11    7    9                                       
CONECT    8    9   10                                                 
CONECT    9    8    8                                                 
CONECT   10    8   62                                                 
CONECT   11    8    8                                                 
CONECT   12   13    5    5   44                                       
CONECT   13   14   14   21   12                                       
CONECT   14   19   15   13   13                                       
CONECT   15   18   18   17   17                                       
CONECT   15   14   16                                                 
CONECT   16   15   63                                                 
CONECT   17   15   15                                                 
CONECT   18   15   15                                                 
CONECT   19   20   20   14   45                                       
CONECT   20   19   19   22   46                                       
CONECT   21   22   22   13    7                                       
CONECT   22   20   23   21   21                                       
CONECT   23   24   22   47                                            
CONECT   24   25   25   26   23                                       
CONECT   25   24   24                                                 
CONECT   26   24   28   28   27                                       
CONECT   27   26   32   32   48                                       
CONECT   28   26   26   29   49                                       
CONECT   29   28   30   30   50                                       
CONECT   30   32   29   29   31                                       
CONECT   31   30   51   52   53                                       
CONECT   32   27   27   30   33                                       
CONECT   33   34   32   54                                            
CONECT   34   35   35   36   33                                       
CONECT   35   34   34                                                 
CONECT   36   34   38   38   37                                       
CONECT   37   36   41   41   55                                       
CONECT   38   36   36   39   56                                       
CONECT   39   38   40   40   57                                       
CONECT   40   39   39   41   58                                       
CONECT   41   37   37   40   42                                       
CONECT   42   41   59   60                                            
CONECT   43    6                                                      
CONECT   44   12                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   23                                                      
CONECT   48   27                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
CONECT   51   31                                                      
CONECT   52   31                                                      
CONECT   53   31                                                      
CONECT   54   33                                                      
CONECT   55   37                                                      
CONECT   56   38                                                      
CONECT   57   39                                                      
CONECT   58   40                                                      
CONECT   59   42                                                      
CONECT   60   42                                                      
CONECT   61    3                                                      
CONECT   62   10                                                      
CONECT   63   16                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
