COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.151   0.745   0.595  1.00  0.00           C  
HETATM    2  C   UNL     1       2.769   0.335   0.479  1.00  0.00           C  
HETATM    3  C   UNL     1       3.762   1.495   0.815  1.00  0.00           C  
HETATM    4  C   UNL     1       3.572   2.562  -0.283  1.00  0.00           C  
HETATM    5  C   UNL     1       4.840  -2.210   0.309  1.00  0.00           C  
HETATM    6  C   UNL     1       3.362   1.795  -1.597  1.00  0.00           C  
HETATM    7  C   UNL     1       4.631   1.008  -1.883  1.00  0.00           C  
HETATM    8  C   UNL     1       5.052   0.088  -0.722  1.00  0.00           C  
HETATM    9  C   UNL     1       4.426  -1.315  -0.867  1.00  0.00           C  
HETATM   10  C   UNL     1       3.454  -2.242   1.077  1.00  0.00           C  
HETATM   11  C   UNL     1       3.208  -0.823   1.355  1.00  0.00           C  
HETATM   12  N   UNL     1      -6.123  -0.009  -0.854  1.00  0.00           N  
HETATM   13  C   UNL     1       6.273   1.761   0.447  1.00  0.00           C  
HETATM   14  O   UNL     1       0.699  -0.591  -0.828  1.00  0.00           O  
HETATM   15  C   UNL     1      -8.510  -0.262  -0.259  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.735   0.055   1.221  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.623   0.979   1.720  1.00  0.00           C  
HETATM   18  C   UNL     1       0.428   0.183   0.060  1.00  0.00           C  
HETATM   19  C   UNL     1       2.353  -2.821   0.186  1.00  0.00           C  
HETATM   20  C   UNL     1       1.071  -2.987   1.003  1.00  0.00           C  
HETATM   21  C   UNL     1       3.572  -3.039   2.378  1.00  0.00           C  
HETATM   22  O   UNL     1       1.408   0.724   0.800  1.00  0.00           O  
HETATM   23  C   UNL     1       3.593   2.046   2.233  1.00  0.00           C  
HETATM   24  C   UNL     1       2.345   3.421   0.025  1.00  0.00           C  
HETATM   25  C   UNL     1       4.900  -1.949  -2.177  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.122  -0.817  -0.448  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.339   1.438  -0.993  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.795  -0.557  -1.161  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.885   1.704  -0.613  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.274   2.177  -0.177  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.746   0.204  -0.343  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.010   0.541   0.335  1.00  0.00           C  
HETATM   33  O   UNL     1       5.229  -3.512  -0.131  1.00  0.00           O  
HETATM   34  O   UNL     1       6.427   2.765   1.100  1.00  0.00           O  
HETATM   35  S   UNL     1      -2.086  -0.347  -0.824  1.00  0.00           S  
HETATM   36  C   UNL     1       6.600  -0.110  -0.983  1.00  0.00           C  
HETATM   37  C   UNL     1       7.152   1.273  -0.670  1.00  0.00           C  
HETATM   38  O   UNL     1      -6.904  -1.990  -0.235  1.00  0.00           O  
HETATM   39  N   UNL     1      -9.499  -1.253  -0.703  1.00  0.00           N  
HETATM   40  C   UNL     1     -10.089   0.747   1.395  1.00  0.00           C  
HETATM   41  H   UNL     1       5.355   0.036   1.398  1.00  0.00           H  
HETATM   42  H   UNL     1       2.844   0.065  -0.575  1.00  0.00           H  
HETATM   43  H   UNL     1       4.460   3.190  -0.352  1.00  0.00           H  
HETATM   44  H   UNL     1       5.622  -1.745   0.911  1.00  0.00           H  
HETATM   45  H   UNL     1       2.519   1.112  -1.495  1.00  0.00           H  
HETATM   46  H   UNL     1       3.172   2.497  -2.409  1.00  0.00           H  
HETATM   47  H   UNL     1       4.471   0.398  -2.773  1.00  0.00           H  
HETATM   48  H   UNL     1       5.441   1.711  -2.082  1.00  0.00           H  
HETATM   49  H   UNL     1       3.340  -1.226  -0.888  1.00  0.00           H  
HETATM   50  H   UNL     1       4.125  -0.475   1.830  1.00  0.00           H  
HETATM   51  H   UNL     1       2.496  -0.826   2.181  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.620   0.650  -0.846  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.724  -0.871   1.797  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.658   1.920   1.171  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.762   1.174   2.783  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.655   0.502   1.561  1.00  0.00           H  
HETATM   57  H   UNL     1       2.168  -2.143  -0.648  1.00  0.00           H  
HETATM   58  H   UNL     1       1.256  -3.664   1.837  1.00  0.00           H  
HETATM   59  H   UNL     1       0.756  -2.016   1.386  1.00  0.00           H  
HETATM   60  H   UNL     1       4.319  -2.575   3.022  1.00  0.00           H  
HETATM   61  H   UNL     1       2.609  -3.047   2.887  1.00  0.00           H  
HETATM   62  H   UNL     1       3.873  -4.062   2.152  1.00  0.00           H  
HETATM   63  H   UNL     1       4.390   2.759   2.443  1.00  0.00           H  
HETATM   64  H   UNL     1       2.628   2.544   2.316  1.00  0.00           H  
HETATM   65  H   UNL     1       3.642   1.225   2.949  1.00  0.00           H  
HETATM   66  H   UNL     1       2.480   3.918   0.986  1.00  0.00           H  
HETATM   67  H   UNL     1       2.220   4.171  -0.757  1.00  0.00           H  
HETATM   68  H   UNL     1       1.459   2.788   0.065  1.00  0.00           H  
HETATM   69  H   UNL     1       4.446  -2.933  -2.289  1.00  0.00           H  
HETATM   70  H   UNL     1       4.608  -1.315  -3.014  1.00  0.00           H  
HETATM   71  H   UNL     1       5.986  -2.049  -2.159  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.257   1.721  -2.043  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.331   1.696  -0.622  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.766  -1.614  -0.898  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.587  -0.439  -2.225  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.754   1.895  -1.678  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.124   2.246  -0.051  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.363   3.249  -0.348  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.414   1.963   0.883  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.901   0.009   0.718  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.265   0.259   1.357  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.148   1.615   0.209  1.00  0.00           H  
HETATM   83  H   UNL     1       5.978  -3.514  -0.743  1.00  0.00           H  
HETATM   84  H   UNL     1       7.016  -0.857  -0.307  1.00  0.00           H  
HETATM   85  H   UNL     1       6.789  -0.380  -2.022  1.00  0.00           H  
HETATM   86  H   UNL     1       7.066   1.926  -1.539  1.00  0.00           H  
HETATM   87  H   UNL     1       8.189   1.207  -0.341  1.00  0.00           H  
HETATM   88  H   UNL     1      -9.417  -2.108  -0.174  1.00  0.00           H  
HETATM   89  H   UNL     1     -10.435  -0.880  -0.647  1.00  0.00           H  
HETATM   90  H   UNL     1     -10.882   0.088   1.039  1.00  0.00           H  
HETATM   91  H   UNL     1     -10.249   0.972   2.449  1.00  0.00           H  
HETATM   92  H   UNL     1     -10.100   1.672   0.820  1.00  0.00           H  
HETATM   93  H   UNL     1       2.668  -3.791  -0.198  1.00  0.00           H  
HETATM   94  H   UNL     1       0.286  -3.399   0.368  1.00  0.00           H  
CONECT    1    8    3   13   41                                       
CONECT    2   11   22    3   42                                       
CONECT    3    2    1    4   23                                       
CONECT    4    6    3   24   43                                       
CONECT    5   33    9   10   44                                       
CONECT    6    7    4   45   46                                       
CONECT    7    8    6   47   48                                       
CONECT    8    9   36    7    1                                       
CONECT    9   25    5    8   49                                       
CONECT   10   19    5   21   11                                       
CONECT   11   10    2   50   51                                       
CONECT   12   26   27   28                                            
CONECT   13   37    1   34   34                                       
CONECT   14   18   18                                                 
CONECT   15   16   26   39   52                                       
CONECT   16   17   40   15   53                                       
CONECT   17   16   54   55   56                                       
CONECT   18   14   14   22   32                                       
CONECT   19   20   10   57   93                                       
CONECT   20   19   58   59   94                                       
CONECT   21   10   60   61   62                                       
CONECT   22    2   18                                                 
CONECT   23    3   63   64   65                                       
CONECT   24    4   66   67   68                                       
CONECT   25    9   69   70   71                                       
CONECT   26   38   38   15   12                                       
CONECT   27   30   12   72   73                                       
CONECT   28   12   31   74   75                                       
CONECT   29   30   31   76   77                                       
CONECT   30   29   27   78   79                                       
CONECT   31   29   35   28   80                                       
CONECT   32   18   35   81   82                                       
CONECT   33    5   83                                                 
CONECT   34   13   13                                                 
CONECT   35   31   32                                                 
CONECT   36    8   37   84   85                                       
CONECT   37   36   13   86   87                                       
CONECT   38   26   26                                                 
CONECT   39   15   88   89                                            
CONECT   40   16   90   91   92                                       
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    9                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   21                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   25                                                      
CONECT   72   27                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   30                                                      
CONECT   80   31                                                      
CONECT   81   32                                                      
CONECT   82   32                                                      
CONECT   83   33                                                      
CONECT   84   36                                                      
CONECT   85   36                                                      
CONECT   86   37                                                      
CONECT   87   37                                                      
CONECT   88   39                                                      
CONECT   89   39                                                      
CONECT   90   40                                                      
CONECT   91   40                                                      
CONECT   92   40                                                      
CONECT   93   19                                                      
CONECT   94   20                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
