COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.089  -1.883  -1.905  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.276  -1.719  -1.214  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.002  -1.194   0.204  1.00  0.00           C  
HETATM    4  C   UNL     1       0.382  -0.520   0.174  1.00  0.00           C  
HETATM    5  C   UNL     1       1.089  -1.053  -1.082  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.076  -0.234   0.608  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.536   0.532  -0.211  1.00  0.00           O  
HETATM    8  N   UNL     1      -2.539  -0.214   1.880  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.012  -3.027  -1.142  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.479  -4.028  -0.711  1.00  0.00           O  
HETATM   11  C   UNL     1      -4.734  -0.663   3.077  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.648   0.742   0.895  1.00  0.00           C  
HETATM   13  N   UNL     1      -3.314  -3.045  -1.584  1.00  0.00           N  
HETATM   14  C   UNL     1      -4.044  -4.304  -1.290  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.930  -1.915  -2.285  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.929   0.205   2.105  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.324   0.758   3.473  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.170  -0.933   2.726  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.502  -3.950  -0.986  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.687  -3.763   0.520  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.325  -2.330   0.912  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.447  -1.719   1.712  1.00  0.00           C  
HETATM   23  O   UNL     1       2.193  -1.876  -0.699  1.00  0.00           O  
HETATM   24  C   UNL     1       6.868  -3.400   0.375  1.00  0.00           C  
HETATM   25  C   UNL     1       5.676  -4.076   0.100  1.00  0.00           C  
HETATM   26  C   UNL     1       4.530  -3.389  -0.163  1.00  0.00           C  
HETATM   27  C   UNL     1       4.539  -1.987  -0.157  1.00  0.00           C  
HETATM   28  C   UNL     1       5.742  -1.291   0.122  1.00  0.00           C  
HETATM   29  C   UNL     1       6.910  -2.024   0.389  1.00  0.00           C  
HETATM   30  C   UNL     1       3.364  -1.247  -0.427  1.00  0.00           C  
HETATM   31  C   UNL     1       3.440   0.121  -0.406  1.00  0.00           C  
HETATM   32  C   UNL     1       4.662   0.746  -0.123  1.00  0.00           C  
HETATM   33  N   UNL     1       5.755   0.045   0.127  1.00  0.00           N  
HETATM   34  C   UNL     1       4.730   2.222  -0.104  1.00  0.00           C  
HETATM   35  S   UNL     1       3.380   3.312  -0.412  1.00  0.00           S  
HETATM   36  C   UNL     1       4.446   4.693  -0.163  1.00  0.00           C  
HETATM   37  C   UNL     1       5.671   4.231   0.118  1.00  0.00           C  
HETATM   38  N   UNL     1       5.796   2.926   0.149  1.00  0.00           N  
HETATM   39  C   UNL     1       6.832   5.153   0.388  1.00  0.00           C  
HETATM   40  C   UNL     1       7.473   5.567  -0.938  1.00  0.00           C  
HETATM   41  C   UNL     1       6.335   6.398   1.125  1.00  0.00           C  
HETATM   42  O   UNL     1       7.996  -4.109   0.639  1.00  0.00           O  
HETATM   43  C   UNL     1       7.888  -5.534   0.616  1.00  0.00           C  
HETATM   44  C   UNL     1       8.202  -1.308   0.688  1.00  0.00           C  
HETATM   45  N   UNL     1      -4.282   1.925   0.363  1.00  0.00           N  
HETATM   46  O   UNL     1      -5.556   0.109   0.399  1.00  0.00           O  
HETATM   47  S   UNL     1      -5.153   2.576  -0.886  1.00  0.00           S  
HETATM   48  C   UNL     1      -6.781   2.927  -0.169  1.00  0.00           C  
HETATM   49  O   UNL     1      -4.472   3.785  -1.195  1.00  0.00           O  
HETATM   50  O   UNL     1      -5.243   1.523  -1.836  1.00  0.00           O  
HETATM   51  C   UNL     1      -7.838   3.547  -1.085  1.00  0.00           C  
HETATM   52  C   UNL     1      -7.176   4.395   0.003  1.00  0.00           C  
HETATM   53  H   UNL     1       0.385  -2.932  -1.907  1.00  0.00           H  
HETATM   54  H   UNL     1       0.040  -1.505  -2.926  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.869  -0.986  -1.761  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.969  -2.037   0.897  1.00  0.00           H  
HETATM   57  H   UNL     1       0.270   0.562   0.111  1.00  0.00           H  
HETATM   58  H   UNL     1       0.948  -0.788   1.066  1.00  0.00           H  
HETATM   59  H   UNL     1       1.451  -0.217  -1.681  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.969  -0.469   2.622  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.206  -1.487   3.562  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.999  -4.966  -2.155  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.597  -4.795  -0.426  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.184  -1.426  -2.911  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.747  -2.277  -2.909  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.317  -1.203  -1.557  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.106   1.517   3.503  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.536   0.865   4.219  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.968  -0.488   3.299  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.765  -3.026  -1.501  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.150  -4.754  -1.334  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.726  -3.960   0.785  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.039  -4.459   1.054  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.415  -2.337   1.511  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.160  -1.739   0.011  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.474  -1.930   1.457  1.00  0.00           H  
HETATM   77  H   UNL     1       5.664  -5.156   0.094  1.00  0.00           H  
HETATM   78  H   UNL     1       3.616  -3.923  -0.375  1.00  0.00           H  
HETATM   79  H   UNL     1       2.561   0.715  -0.608  1.00  0.00           H  
HETATM   80  H   UNL     1       4.161   5.733  -0.226  1.00  0.00           H  
HETATM   81  H   UNL     1       7.570   4.637   1.003  1.00  0.00           H  
HETATM   82  H   UNL     1       6.735   6.083  -1.553  1.00  0.00           H  
HETATM   83  H   UNL     1       8.313   6.234  -0.743  1.00  0.00           H  
HETATM   84  H   UNL     1       7.828   4.680  -1.463  1.00  0.00           H  
HETATM   85  H   UNL     1       5.878   6.102   2.070  1.00  0.00           H  
HETATM   86  H   UNL     1       7.175   7.064   1.320  1.00  0.00           H  
HETATM   87  H   UNL     1       5.597   6.913   0.510  1.00  0.00           H  
HETATM   88  H   UNL     1       8.858  -5.976   0.842  1.00  0.00           H  
HETATM   89  H   UNL     1       7.160  -5.855   1.361  1.00  0.00           H  
HETATM   90  H   UNL     1       7.562  -5.857  -0.373  1.00  0.00           H  
HETATM   91  H   UNL     1       8.744  -1.133  -0.241  1.00  0.00           H  
HETATM   92  H   UNL     1       7.986  -0.354   1.168  1.00  0.00           H  
HETATM   93  H   UNL     1       8.810  -1.920   1.354  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.509   2.395   0.712  1.00  0.00           H  
HETATM   95  H   UNL     1      -7.123   2.222   0.589  1.00  0.00           H  
HETATM   96  H   UNL     1      -7.555   3.744  -2.119  1.00  0.00           H  
HETATM   97  H   UNL     1      -8.875   3.250  -0.930  1.00  0.00           H  
HETATM   98  H   UNL     1      -7.777   4.657   0.873  1.00  0.00           H  
HETATM   99  H   UNL     1      -6.457   5.150  -0.316  1.00  0.00           H  
CONECT    1    2    5   53   54                                       
CONECT    2    1    3    9   55                                       
CONECT    3    2    4    6   56                                       
CONECT    4    3    5   57   58                                       
CONECT    5    1    4   23   59                                       
CONECT    6    3    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6   16   60                                            
CONECT    9    2   10   10   13                                       
CONECT   10    9    9                                                 
CONECT   11   16   17   18   61                                       
CONECT   12   16   45   46   46                                       
CONECT   13    9   14   15                                            
CONECT   14   13   19   62   63                                       
CONECT   15   13   64   65   66                                       
CONECT   16    8   11   12   17                                       
CONECT   17   11   16   67   68                                       
CONECT   18   11   22   22   69                                       
CONECT   19   14   20   70   71                                       
CONECT   20   19   21   72   73                                       
CONECT   21   20   22   74   75                                       
CONECT   22   18   18   21   76                                       
CONECT   23    5   30                                                 
CONECT   24   25   25   29   42                                       
CONECT   25   24   24   26   77                                       
CONECT   26   25   27   27   78                                       
CONECT   27   26   26   28   30                                       
CONECT   28   27   29   29   33                                       
CONECT   29   24   28   28   44                                       
CONECT   30   23   27   31   31                                       
CONECT   31   30   30   32   79                                       
CONECT   32   31   33   33   34                                       
CONECT   33   28   32   32                                            
CONECT   34   32   35   38   38                                       
CONECT   35   34   36                                                 
CONECT   36   35   37   37   80                                       
CONECT   37   36   36   38   39                                       
CONECT   38   34   34   37                                            
CONECT   39   37   40   41   81                                       
CONECT   40   39   82   83   84                                       
CONECT   41   39   85   86   87                                       
CONECT   42   24   43                                                 
CONECT   43   42   88   89   90                                       
CONECT   44   29   91   92   93                                       
CONECT   45   12   47   94                                            
CONECT   46   12   12                                                 
CONECT   47   45   48   49   49                                       
CONECT   47   50   50                                                 
CONECT   48   47   51   52   95                                       
CONECT   49   47   47                                                 
CONECT   50   47   47                                                 
CONECT   51   48   52   96   97                                       
CONECT   52   48   51   98   99                                       
CONECT   53    1                                                      
CONECT   54    1                                                      
CONECT   55    2                                                      
CONECT   56    3                                                      
CONECT   57    4                                                      
CONECT   58    4                                                      
CONECT   59    5                                                      
CONECT   60    8                                                      
CONECT   61   11                                                      
CONECT   62   14                                                      
CONECT   63   14                                                      
CONECT   64   15                                                      
CONECT   65   15                                                      
CONECT   66   15                                                      
CONECT   67   17                                                      
CONECT   68   17                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   19                                                      
CONECT   72   20                                                      
CONECT   73   20                                                      
CONECT   74   21                                                      
CONECT   75   21                                                      
CONECT   76   22                                                      
CONECT   77   25                                                      
CONECT   78   26                                                      
CONECT   79   31                                                      
CONECT   80   36                                                      
CONECT   81   39                                                      
CONECT   82   40                                                      
CONECT   83   40                                                      
CONECT   84   40                                                      
CONECT   85   41                                                      
CONECT   86   41                                                      
CONECT   87   41                                                      
CONECT   88   43                                                      
CONECT   89   43                                                      
CONECT   90   43                                                      
CONECT   91   44                                                      
CONECT   92   44                                                      
CONECT   93   44                                                      
CONECT   94   45                                                      
CONECT   95   48                                                      
CONECT   96   51                                                      
CONECT   97   51                                                      
CONECT   98   52                                                      
CONECT   99   52                                                      
MASTER        0    0    0    0    0    0    0    0   99    0   99    0
END
