COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.169  -0.466  10.859  1.00  0.00           C  
HETATM    2  C   UNL     1       4.824  -0.282  12.065  1.00  0.00           C  
HETATM    3  C   UNL     1       4.141   0.224  13.154  1.00  0.00           C  
HETATM    4  C   UNL     1       2.801   0.557  13.048  1.00  0.00           C  
HETATM    5  C   UNL     1       2.134   0.385  11.853  1.00  0.00           C  
HETATM    6  C   UNL     1       2.814  -0.126  10.744  1.00  0.00           C  
HETATM    7  O   UNL     1       4.840  -0.965   9.788  1.00  0.00           O  
HETATM    8  O   UNL     1       2.944   1.748  15.294  1.00  0.00           O  
HETATM    9  O   UNL     1       1.356   0.022  15.204  1.00  0.00           O  
HETATM   10  O   UNL     1       0.832   1.917  13.920  1.00  0.00           O  
HETATM   11  S   UNL     1       1.944   1.203  14.445  1.00  0.00           S  
HETATM   12  C   UNL     1       0.944  -0.674   7.174  1.00  0.00           C  
HETATM   13  C   UNL     1       0.259  -0.163   8.275  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.103   0.176   8.171  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.773   0.013   7.004  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.111  -0.501   5.872  1.00  0.00           C  
HETATM   17  C   UNL     1       0.260  -0.849   5.956  1.00  0.00           C  
HETATM   18  C   UNL     1       0.918  -1.361   4.824  1.00  0.00           C  
HETATM   19  C   UNL     1       0.237  -1.520   3.658  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.117  -1.180   3.565  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.790  -0.670   4.655  1.00  0.00           C  
HETATM   22  O   UNL     1       2.257  -1.000   7.274  1.00  0.00           O  
HETATM   23  O   UNL     1      -3.773  -0.192   3.131  1.00  0.00           O  
HETATM   24  O   UNL     1      -3.692   0.830   5.438  1.00  0.00           O  
HETATM   25  O   UNL     1      -4.302  -1.406   5.069  1.00  0.00           O  
HETATM   26  S   UNL     1      -3.493  -0.238   4.523  1.00  0.00           S  
HETATM   27  O   UNL     1      -3.327   0.562   9.350  1.00  0.00           O  
HETATM   28  O   UNL     1      -1.800   2.335   9.541  1.00  0.00           O  
HETATM   29  O   UNL     1      -1.205   0.386  10.707  1.00  0.00           O  
HETATM   30  S   UNL     1      -1.948   0.820   9.576  1.00  0.00           S  
HETATM   31  N   UNL     1       0.911   0.009   9.459  1.00  0.00           N  
HETATM   32  N   UNL     1       2.160  -0.299   9.558  1.00  0.00           N  
HETATM   33  C   UNL     1       4.189  -0.461 -10.795  1.00  0.00           C  
HETATM   34  C   UNL     1       4.854  -0.325 -12.003  1.00  0.00           C  
HETATM   35  C   UNL     1       4.179   0.132 -13.118  1.00  0.00           C  
HETATM   36  C   UNL     1       2.835   0.458 -13.039  1.00  0.00           C  
HETATM   37  C   UNL     1       2.157   0.328 -11.846  1.00  0.00           C  
HETATM   38  C   UNL     1       2.827  -0.138 -10.711  1.00  0.00           C  
HETATM   39  O   UNL     1       4.852  -0.911  -9.699  1.00  0.00           O  
HETATM   40  O   UNL     1       2.995   1.561 -15.329  1.00  0.00           O  
HETATM   41  O   UNL     1       0.866   1.766 -13.986  1.00  0.00           O  
HETATM   42  O   UNL     1       1.418  -0.172 -15.188  1.00  0.00           O  
HETATM   43  S   UNL     1       1.989   1.041 -14.470  1.00  0.00           S  
HETATM   44  C   UNL     1       0.923  -0.559  -7.142  1.00  0.00           C  
HETATM   45  C   UNL     1       0.247  -0.092  -8.269  1.00  0.00           C  
HETATM   46  C   UNL     1      -1.115   0.249  -8.190  1.00  0.00           C  
HETATM   47  C   UNL     1      -1.799   0.121  -7.026  1.00  0.00           C  
HETATM   48  C   UNL     1      -1.146  -0.346  -5.868  1.00  0.00           C  
HETATM   49  C   UNL     1       0.227  -0.690  -5.925  1.00  0.00           C  
HETATM   50  C   UNL     1       0.875  -1.157  -4.768  1.00  0.00           C  
HETATM   51  C   UNL     1       0.183  -1.275  -3.604  1.00  0.00           C  
HETATM   52  C   UNL     1      -1.173  -0.938  -3.538  1.00  0.00           C  
HETATM   53  C   UNL     1      -1.838  -0.477  -4.655  1.00  0.00           C  
HETATM   54  O   UNL     1       2.238  -0.883  -7.217  1.00  0.00           O  
HETATM   55  O   UNL     1      -4.339  -1.243  -5.082  1.00  0.00           O  
HETATM   56  O   UNL     1      -3.845   0.028  -3.171  1.00  0.00           O  
HETATM   57  O   UNL     1      -3.740   0.986  -5.505  1.00  0.00           O  
HETATM   58  S   UNL     1      -3.546  -0.054  -4.558  1.00  0.00           S  
HETATM   59  O   UNL     1      -1.814   2.352  -9.643  1.00  0.00           O  
HETATM   60  O   UNL     1      -1.188   0.370 -10.733  1.00  0.00           O  
HETATM   61  O   UNL     1      -3.328   0.573  -9.408  1.00  0.00           O  
HETATM   62  S   UNL     1      -1.949   0.836  -9.627  1.00  0.00           S  
HETATM   63  N   UNL     1       2.162  -0.269  -9.526  1.00  0.00           N  
HETATM   64  N   UNL     1       0.911   0.038  -9.451  1.00  0.00           N  
HETATM   65  N   UNL     1      -1.860  -1.069  -2.330  1.00  0.00           N  
HETATM   66  N   UNL     1      -1.792  -1.354   2.355  1.00  0.00           N  
HETATM   67  C   UNL     1      -1.179  -0.960  -1.133  1.00  0.00           C  
HETATM   68  N   UNL     1      -1.806  -1.201   0.013  1.00  0.00           N  
HETATM   69  C   UNL     1      -1.146  -1.100   1.161  1.00  0.00           C  
HETATM   70  N   UNL     1       0.137  -0.747   1.160  1.00  0.00           N  
HETATM   71  C   UNL     1       0.756  -0.504   0.018  1.00  0.00           C  
HETATM   72  N   UNL     1       0.104  -0.608  -1.126  1.00  0.00           N  
HETATM   73  H   UNL     1       5.869  -0.538  12.157  1.00  0.00           H  
HETATM   74  H   UNL     1       4.655   0.362  14.094  1.00  0.00           H  
HETATM   75  H   UNL     1       1.089   0.646  11.774  1.00  0.00           H  
HETATM   76  H   UNL     1       4.748  -1.927   9.824  1.00  0.00           H  
HETATM   77  H   UNL     1       0.888   0.386  15.968  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.818   0.278   6.942  1.00  0.00           H  
HETATM   79  H   UNL     1       1.963  -1.628   4.881  1.00  0.00           H  
HETATM   80  H   UNL     1       0.748  -1.915   2.792  1.00  0.00           H  
HETATM   81  H   UNL     1       2.760  -0.208   7.041  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.234  -1.160   4.993  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.266   2.679  10.315  1.00  0.00           H  
HETATM   84  H   UNL     1       5.902  -0.577 -12.073  1.00  0.00           H  
HETATM   85  H   UNL     1       4.702   0.236 -14.057  1.00  0.00           H  
HETATM   86  H   UNL     1       1.110   0.584 -11.788  1.00  0.00           H  
HETATM   87  H   UNL     1       5.213  -0.133  -9.251  1.00  0.00           H  
HETATM   88  H   UNL     1       0.956   0.156 -15.971  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.845   0.384  -6.984  1.00  0.00           H  
HETATM   90  H   UNL     1       1.922  -1.421  -4.804  1.00  0.00           H  
HETATM   91  H   UNL     1       0.686  -1.635  -2.719  1.00  0.00           H  
HETATM   92  H   UNL     1       2.736  -0.080  -7.008  1.00  0.00           H  
HETATM   93  H   UNL     1      -5.274  -1.002  -5.025  1.00  0.00           H  
HETATM   94  H   UNL     1      -2.274   2.665 -10.434  1.00  0.00           H  
HETATM   95  H   UNL     1      -2.815  -1.237  -2.330  1.00  0.00           H  
HETATM   96  H   UNL     1      -2.715  -1.653   2.354  1.00  0.00           H  
HETATM   97  H   UNL     1       1.798  -0.218   0.020  1.00  0.00           H  
CONECT    1    2    2    6    7                                       
CONECT    2    1    1    3   73                                       
CONECT    3    2    4    4   74                                       
CONECT    4    3    3    5   11                                       
CONECT    5    4    6    6   75                                       
CONECT    6    1    5    5   32                                       
CONECT    7    1   76                                                 
CONECT    8   11   11                                                 
CONECT    9   11   77                                                 
CONECT   10   11   11                                                 
CONECT   11    4    8    8    9                                       
CONECT   11   10   10                                                 
CONECT   12   13   13   17   22                                       
CONECT   13   12   12   14   31                                       
CONECT   14   13   15   15   30                                       
CONECT   15   14   14   16   78                                       
CONECT   16   15   17   17   21                                       
CONECT   17   12   16   16   18                                       
CONECT   18   17   19   19   79                                       
CONECT   19   18   18   20   80                                       
CONECT   20   19   21   21   66                                       
CONECT   21   16   20   20   26                                       
CONECT   22   12   81                                                 
CONECT   23   26   26                                                 
CONECT   24   26   26                                                 
CONECT   25   26   82                                                 
CONECT   26   21   23   23   24                                       
CONECT   26   24   25                                                 
CONECT   27   30   30                                                 
CONECT   28   30   83                                                 
CONECT   29   30   30                                                 
CONECT   30   14   27   27   28                                       
CONECT   30   29   29                                                 
CONECT   31   13   32   32                                            
CONECT   32    6   31   31                                            
CONECT   33   34   34   38   39                                       
CONECT   34   33   33   35   84                                       
CONECT   35   34   36   36   85                                       
CONECT   36   35   35   37   43                                       
CONECT   37   36   38   38   86                                       
CONECT   38   33   37   37   63                                       
CONECT   39   33   87                                                 
CONECT   40   43   43                                                 
CONECT   41   43   43                                                 
CONECT   42   43   88                                                 
CONECT   43   36   40   40   41                                       
CONECT   43   41   42                                                 
CONECT   44   45   45   49   54                                       
CONECT   45   44   44   46   64                                       
CONECT   46   45   47   47   62                                       
CONECT   47   46   46   48   89                                       
CONECT   48   47   49   49   53                                       
CONECT   49   44   48   48   50                                       
CONECT   50   49   51   51   90                                       
CONECT   51   50   50   52   91                                       
CONECT   52   51   53   53   65                                       
CONECT   53   48   52   52   58                                       
CONECT   54   44   92                                                 
CONECT   55   58   93                                                 
CONECT   56   58   58                                                 
CONECT   57   58   58                                                 
CONECT   58   53   55   56   56                                       
CONECT   58   57   57                                                 
CONECT   59   62   94                                                 
CONECT   60   62   62                                                 
CONECT   61   62   62                                                 
CONECT   62   46   59   60   60                                       
CONECT   62   61   61                                                 
CONECT   63   38   64   64                                            
CONECT   64   45   63   63                                            
CONECT   65   52   67   95                                            
CONECT   66   20   69   96                                            
CONECT   67   65   68   68   72                                       
CONECT   68   67   67   69                                            
CONECT   69   66   68   70   70                                       
CONECT   70   69   69   71                                            
CONECT   71   70   72   72   97                                       
CONECT   72   67   71   71                                            
CONECT   73    2                                                      
CONECT   74    3                                                      
CONECT   75    5                                                      
CONECT   76    7                                                      
CONECT   77    9                                                      
CONECT   78   15                                                      
CONECT   79   18                                                      
CONECT   80   19                                                      
CONECT   81   22                                                      
CONECT   82   25                                                      
CONECT   83   28                                                      
CONECT   84   34                                                      
CONECT   85   35                                                      
CONECT   86   37                                                      
CONECT   87   39                                                      
CONECT   88   42                                                      
CONECT   89   47                                                      
CONECT   90   50                                                      
CONECT   91   51                                                      
CONECT   92   54                                                      
CONECT   93   55                                                      
CONECT   94   59                                                      
CONECT   95   65                                                      
CONECT   96   66                                                      
CONECT   97   71                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
