COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.367   1.061  -1.199  1.00  0.00           C  
HETATM    2  O   UNL     1       0.988   1.142  -0.761  1.00  0.00           O  
HETATM    3  C   UNL     1       1.533  -0.174  -0.799  1.00  0.00           C  
HETATM    4  C   UNL     1       2.923  -0.168  -0.158  1.00  0.00           C  
HETATM    5  O   UNL     1       2.849   0.440   1.132  1.00  0.00           O  
HETATM    6  S   UNL     1       4.209   1.069   1.400  1.00  0.00           S  
HETATM    7  O   UNL     1       5.167   0.082   1.045  1.00  0.00           O  
HETATM    8  O   UNL     1       4.102   1.691   2.673  1.00  0.00           O  
HETATM    9  O   UNL     1       4.391   2.202   0.400  1.00  0.00           O  
HETATM   10  C   UNL     1       1.645  -0.647  -2.250  1.00  0.00           C  
HETATM   11  O   UNL     1       2.218  -1.955  -2.284  1.00  0.00           O  
HETATM   12  S   UNL     1       3.297  -1.935  -3.356  1.00  0.00           S  
HETATM   13  O   UNL     1       3.836  -3.250  -3.387  1.00  0.00           O  
HETATM   14  O   UNL     1       2.727  -1.254  -4.465  1.00  0.00           O  
HETATM   15  O   UNL     1       4.421  -1.040  -2.855  1.00  0.00           O  
HETATM   16  C   UNL     1       0.244  -0.684  -2.872  1.00  0.00           C  
HETATM   17  O   UNL     1       0.343  -0.980  -4.266  1.00  0.00           O  
HETATM   18  S   UNL     1      -0.394  -2.291  -4.492  1.00  0.00           S  
HETATM   19  O   UNL     1      -0.281  -2.564  -5.882  1.00  0.00           O  
HETATM   20  O   UNL     1      -1.873  -2.030  -4.241  1.00  0.00           O  
HETATM   21  O   UNL     1       0.027  -3.156  -3.446  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.411   0.687  -2.682  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.770   0.635  -3.122  1.00  0.00           O  
HETATM   24  S   UNL     1      -2.008   1.879  -3.964  1.00  0.00           S  
HETATM   25  O   UNL     1      -3.377   1.833  -4.343  1.00  0.00           O  
HETATM   26  O   UNL     1      -1.385   2.946  -3.262  1.00  0.00           O  
HETATM   27  O   UNL     1      -1.217   1.715  -5.254  1.00  0.00           O  
HETATM   28  C   UNL     1      -1.501   2.079   0.826  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.198   0.581   0.884  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.339  -0.155   1.612  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.654  -0.769   2.862  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.386   0.111   3.001  1.00  0.00           C  
HETATM   33  C   UNL     1       0.714  -0.639   3.753  1.00  0.00           C  
HETATM   34  O   UNL     1      -0.309   2.793   0.492  1.00  0.00           O  
HETATM   35  O   UNL     1      -0.464   4.831   1.849  1.00  0.00           O  
HETATM   36  O   UNL     1      -4.464   0.380  -0.245  1.00  0.00           O  
HETATM   37  O   UNL     1      -1.875  -2.875   4.826  1.00  0.00           O  
HETATM   38  O   UNL     1       3.417  -1.694   3.582  1.00  0.00           O  
HETATM   39  O   UNL     1      -1.052   0.063  -0.439  1.00  0.00           O  
HETATM   40  O   UNL     1       0.303   4.890  -0.367  1.00  0.00           O  
HETATM   41  O   UNL     1      -4.883  -1.928  -0.191  1.00  0.00           O  
HETATM   42  O   UNL     1      -3.913  -1.873   5.420  1.00  0.00           O  
HETATM   43  O   UNL     1       4.045   0.246   4.744  1.00  0.00           O  
HETATM   44  O   UNL     1      -2.881  -1.185   0.783  1.00  0.00           O  
HETATM   45  O   UNL     1      -2.080   4.311   0.228  1.00  0.00           O  
HETATM   46  O   UNL     1      -4.834  -0.508   1.895  1.00  0.00           O  
HETATM   47  O   UNL     1      -3.390  -2.589   3.056  1.00  0.00           O  
HETATM   48  O   UNL     1       2.269  -1.333   5.598  1.00  0.00           O  
HETATM   49  O   UNL     1      -2.491  -0.644   4.013  1.00  0.00           O  
HETATM   50  O   UNL     1       0.007   0.354   1.634  1.00  0.00           O  
HETATM   51  O   UNL     1       1.872   0.191   3.858  1.00  0.00           O  
HETATM   52  S   UNL     1      -0.677   4.270   0.451  1.00  0.00           S  
HETATM   53  S   UNL     1      -4.361  -0.876   0.607  1.00  0.00           S  
HETATM   54  S   UNL     1      -3.035  -2.033   4.315  1.00  0.00           S  
HETATM   55  S   UNL     1       2.942  -0.630   4.562  1.00  0.00           S  
HETATM   56  H   UNL     1      -0.853   2.025  -1.053  1.00  0.00           H  
HETATM   57  H   UNL     1       0.882  -0.852  -0.246  1.00  0.00           H  
HETATM   58  H   UNL     1       3.610   0.397  -0.787  1.00  0.00           H  
HETATM   59  H   UNL     1       3.281  -1.192  -0.056  1.00  0.00           H  
HETATM   60  H   UNL     1       2.275   0.041  -2.812  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.356  -1.448  -2.378  1.00  0.00           H  
HETATM   62  H   UNL     1       0.130   1.434  -3.263  1.00  0.00           H  
HETATM   63  H   UNL     1       5.257   2.594   0.578  1.00  0.00           H  
HETATM   64  H   UNL     1       5.101  -1.033  -3.542  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.333  -2.868  -4.386  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.375   2.509  -5.782  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.261   2.267   0.069  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.865   2.415   1.798  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.700   5.768   1.814  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.406   0.569  -0.352  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.229  -3.755   5.015  1.00  0.00           H  
HETATM   72  H   UNL     1       4.037  -2.259   4.062  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.120   0.543   1.910  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.387  -1.811   2.688  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.623   1.048   3.505  1.00  0.00           H  
HETATM   76  H   UNL     1       0.361  -0.898   4.751  1.00  0.00           H  
HETATM   77  H   UNL     1       0.969  -1.550   3.210  1.00  0.00           H  
CONECT    1   22   39    2   56                                       
CONECT    2    1    3                                                 
CONECT    3   10    4    2   57                                       
CONECT    4    3    5   58   59                                       
CONECT    5    4    6                                                 
CONECT    6    5    7    7    8                                       
CONECT    6    8    9                                                 
CONECT    7    6    6                                                 
CONECT    8    6    6                                                 
CONECT    9    6   63                                                 
CONECT   10   16    3   11   60                                       
CONECT   11   10   12                                                 
CONECT   12   11   13   13   14                                       
CONECT   12   14   15                                                 
CONECT   13   12   12                                                 
CONECT   14   12   12                                                 
CONECT   15   12   64                                                 
CONECT   16   22   10   17   61                                       
CONECT   17   16   18                                                 
CONECT   18   17   19   19   21                                       
CONECT   18   21   20                                                 
CONECT   19   18   18                                                 
CONECT   20   18   65                                                 
CONECT   21   18   18                                                 
CONECT   22    1   16   23   62                                       
CONECT   23   22   24                                                 
CONECT   24   23   25   25   26                                       
CONECT   24   26   27                                                 
CONECT   25   24   24                                                 
CONECT   26   24   24                                                 
CONECT   27   24   66                                                 
CONECT   28   29   34   67   68                                       
CONECT   29   28   30   39   50                                       
CONECT   30   29   31   44   73                                       
CONECT   31   30   32   49   74                                       
CONECT   32   31   33   50   75                                       
CONECT   33   32   51   76   77                                       
CONECT   34   28   52                                                 
CONECT   35   52   69                                                 
CONECT   36   53   70                                                 
CONECT   37   54   71                                                 
CONECT   38   55   72                                                 
CONECT   39    1   29                                                 
CONECT   40   52   52                                                 
CONECT   41   53   53                                                 
CONECT   42   54   54                                                 
CONECT   43   55   55                                                 
CONECT   44   30   53                                                 
CONECT   45   52   52                                                 
CONECT   46   53   53                                                 
CONECT   47   54   54                                                 
CONECT   48   55   55                                                 
CONECT   49   31   54                                                 
CONECT   50   29   32                                                 
CONECT   51   33   55                                                 
CONECT   52   34   40   40   45                                       
CONECT   52   45   35                                                 
CONECT   53   44   41   41   46                                       
CONECT   53   46   36                                                 
CONECT   54   49   42   42   47                                       
CONECT   54   47   37                                                 
CONECT   55   51   43   43   48                                       
CONECT   55   48   38                                                 
CONECT   56    1                                                      
CONECT   57    3                                                      
CONECT   58    4                                                      
CONECT   59    4                                                      
CONECT   60   10                                                      
CONECT   61   16                                                      
CONECT   62   22                                                      
CONECT   63    9                                                      
CONECT   64   15                                                      
CONECT   65   20                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   28                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
CONECT   71   37                                                      
CONECT   72   38                                                      
CONECT   73   30                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
CONECT   77   33                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
