COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.346  -0.667   0.836  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.286   0.394  -0.037  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.544   1.119   0.445  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.381   1.547  -0.763  1.00  0.00           C  
HETATM    5  C   UNL     1     -10.693   2.813  -1.757  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.540  -1.083   1.887  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.489  -2.207   2.772  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.718  -2.738   0.037  1.00  0.00           C  
HETATM    9  C   UNL     1       1.644  -4.081  -0.494  1.00  0.00           C  
HETATM   10  C   UNL     1       1.680  -2.834   0.105  1.00  0.00           C  
HETATM   11  C   UNL     1       3.003  -2.214   0.472  1.00  0.00           C  
HETATM   12  C   UNL     1       4.677  -0.805  -0.459  1.00  0.00           C  
HETATM   13  C   UNL     1       6.579  -0.292   0.905  1.00  0.00           C  
HETATM   14  C   UNL     1       8.375   1.286  -0.228  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.393  -1.886  -2.161  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.797  -1.601  -0.737  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.973  -0.930  -0.475  1.00  0.00           C  
HETATM   18  O   UNL     1      -5.505  -0.005   1.091  1.00  0.00           O  
HETATM   19  S   UNL     1      -9.872   2.407  -0.191  1.00  0.00           S  
HETATM   20  O   UNL     1     -10.684   1.482   0.519  1.00  0.00           O  
HETATM   21  O   UNL     1      -9.482   3.617   0.443  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.363  -1.755   1.631  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.983  -2.015   0.315  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.748  -3.996  -0.561  1.00  0.00           C  
HETATM   25  C   UNL     1       0.433  -4.661  -0.823  1.00  0.00           C  
HETATM   26  O   UNL     1       3.486  -1.437  -0.626  1.00  0.00           O  
HETATM   27  C   UNL     1       5.365  -0.934   0.739  1.00  0.00           C  
HETATM   28  C   UNL     1       7.101   0.470  -0.116  1.00  0.00           C  
HETATM   29  C   UNL     1       8.585   2.147   1.019  1.00  0.00           C  
HETATM   30  C   UNL     1       9.844   2.960   0.862  1.00  0.00           C  
HETATM   31  O   UNL     1      10.231   3.794   1.840  1.00  0.00           O  
HETATM   32  O   UNL     1      10.507   2.860  -0.144  1.00  0.00           O  
HETATM   33  C   UNL     1       8.084   2.167  -1.466  1.00  0.00           C  
HETATM   34  O   UNL     1       7.124   1.383  -2.195  1.00  0.00           O  
HETATM   35  C   UNL     1       6.427   0.603  -1.324  1.00  0.00           C  
HETATM   36  C   UNL     1       5.204  -0.041  -1.486  1.00  0.00           C  
HETATM   37  C   UNL     1       0.506  -2.158   0.366  1.00  0.00           C  
HETATM   38  H   UNL     1      -6.572  -0.487  -0.611  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.700   1.064  -0.666  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.131   0.450   1.074  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.259   2.000   1.020  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.794   2.216  -1.392  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.667   0.666  -1.337  1.00  0.00           H  
HETATM   44  H   UNL     1     -10.911   1.895  -2.302  1.00  0.00           H  
HETATM   45  H   UNL     1     -11.623   3.344  -1.553  1.00  0.00           H  
HETATM   46  H   UNL     1     -10.039   3.445  -2.357  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.835  -0.881   2.906  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.782  -3.211   3.079  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.447  -2.214   2.451  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.605  -1.522   3.612  1.00  0.00           H  
HETATM   51  H   UNL     1       2.565  -4.607  -0.697  1.00  0.00           H  
HETATM   52  H   UNL     1       2.875  -1.572   1.343  1.00  0.00           H  
HETATM   53  H   UNL     1       3.722  -3.001   0.703  1.00  0.00           H  
HETATM   54  H   UNL     1       7.117  -0.387   1.837  1.00  0.00           H  
HETATM   55  H   UNL     1       9.236   0.641  -0.403  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.792  -1.059  -2.540  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.808  -2.805  -2.195  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.285  -1.999  -2.776  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.604  -0.609  -1.291  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.694  -4.450  -0.818  1.00  0.00           H  
HETATM   61  H   UNL     1       0.410  -5.637  -1.286  1.00  0.00           H  
HETATM   62  H   UNL     1       4.955  -1.533   1.539  1.00  0.00           H  
HETATM   63  H   UNL     1       7.734   2.817   1.145  1.00  0.00           H  
HETATM   64  H   UNL     1       8.674   1.504   1.894  1.00  0.00           H  
HETATM   65  H   UNL     1      11.046   4.294   1.694  1.00  0.00           H  
HETATM   66  H   UNL     1       7.655   3.123  -1.167  1.00  0.00           H  
HETATM   67  H   UNL     1       8.989   2.318  -2.054  1.00  0.00           H  
HETATM   68  H   UNL     1       4.663   0.056  -2.416  1.00  0.00           H  
HETATM   69  H   UNL     1       0.536  -1.181   0.825  1.00  0.00           H  
CONECT    1   17   17    6   18                                       
CONECT    2   18    3   38   39                                       
CONECT    3    2    4   40   41                                       
CONECT    4    3   19   42   43                                       
CONECT    5   19   44   45   46                                       
CONECT    6   22   22    1   47                                       
CONECT    7   22   48   49   50                                       
CONECT    8   24   24   37   23                                       
CONECT    9   25   25   10   51                                       
CONECT   10    9   11   37   37                                       
CONECT   11   10   26   52   53                                       
CONECT   12   26   27   27   36                                       
CONECT   13   27   28   28   54                                       
CONECT   14   29   28   33   55                                       
CONECT   15   16   56   57   58                                       
CONECT   16   15   23   23   17                                       
CONECT   17   16    1    1   59                                       
CONECT   18    1    2                                                 
CONECT   19    5    4   20   20                                       
CONECT   19   21   21                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22   23    7    6    6                                       
CONECT   23    8   16   16   22                                       
CONECT   24   25    8    8   60                                       
CONECT   25    9    9   24   61                                       
CONECT   26   11   12                                                 
CONECT   27   12   12   13   62                                       
CONECT   28   13   13   35   14                                       
CONECT   29   30   14   63   64                                       
CONECT   30   32   32   29   31                                       
CONECT   31   30   65                                                 
CONECT   32   30   30                                                 
CONECT   33   34   14   66   67                                       
CONECT   34   35   33                                                 
CONECT   35   36   36   28   34                                       
CONECT   36   12   35   35   68                                       
CONECT   37   10   10    8   69                                       
CONECT   38    2                                                      
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51    9                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   17                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   27                                                      
CONECT   63   29                                                      
CONECT   64   29                                                      
CONECT   65   31                                                      
CONECT   66   33                                                      
CONECT   67   33                                                      
CONECT   68   36                                                      
CONECT   69   37                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
