COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.235  -0.979  -1.044  1.00  0.00           C  
HETATM    2  C   UNL     1       6.954  -3.423  -1.403  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.986  -1.347   0.420  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.713  -2.192   0.521  1.00  0.00           C  
HETATM    5  O   UNL     1      -8.147   0.075  -0.158  1.00  0.00           O  
HETATM    6  N   UNL     1       1.849   0.964   0.509  1.00  0.00           N  
HETATM    7  C   UNL     1      -9.474   1.432  -3.818  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.159   1.026  -2.377  1.00  0.00           C  
HETATM    9  O   UNL     1      -7.926   0.259  -2.349  1.00  0.00           O  
HETATM   10  C   UNL     1      -7.506  -0.176  -1.151  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.062  -0.148  -1.569  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.777  -0.979  -1.491  1.00  0.00           C  
HETATM   13  N   UNL     1      -3.608  -1.459  -0.113  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.461  -1.231   0.558  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.367  -1.549   1.727  1.00  0.00           O  
HETATM   16  N   UNL     1      -1.418  -0.651  -0.069  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.135  -0.509   0.623  1.00  0.00           C  
HETATM   18  C   UNL     1       0.675  -1.797   0.465  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.034  -2.926   1.167  1.00  0.00           C  
HETATM   20  C   UNL     1       0.235  -3.188   2.498  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.417  -4.219   3.146  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.343  -4.992   2.460  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.986  -6.006   3.095  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.611  -4.727   1.125  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.956  -3.695   0.481  1.00  0.00           C  
HETATM   26  C   UNL     1       0.632   0.644   0.028  1.00  0.00           C  
HETATM   27  O   UNL     1       0.154   1.283  -0.885  1.00  0.00           O  
HETATM   28  C   UNL     1       2.595   2.084  -0.070  1.00  0.00           C  
HETATM   29  C   UNL     1       2.151   3.389   0.594  1.00  0.00           C  
HETATM   30  C   UNL     1       0.684   3.661   0.255  1.00  0.00           C  
HETATM   31  C   UNL     1       0.247   4.946   0.909  1.00  0.00           C  
HETATM   32  C   UNL     1       0.385   6.146   0.235  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.016   7.325   0.835  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.554   7.305   2.108  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.692   6.105   2.781  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.297   4.925   2.179  1.00  0.00           C  
HETATM   37  C   UNL     1       4.092   1.876   0.165  1.00  0.00           C  
HETATM   38  C   UNL     1       4.562   0.638  -0.602  1.00  0.00           C  
HETATM   39  S   UNL     1       6.337   0.391  -0.323  1.00  0.00           S  
HETATM   40  O   UNL     1       7.088   1.426  -0.943  1.00  0.00           O  
HETATM   41  O   UNL     1       6.583   0.015   1.025  1.00  0.00           O  
HETATM   42  C   UNL     1       6.732  -1.051  -1.255  1.00  0.00           C  
HETATM   43  N   UNL     1       7.112  -0.930  -2.512  1.00  0.00           N  
HETATM   44  C   UNL     1       7.418  -1.981  -3.248  1.00  0.00           C  
HETATM   45  C   UNL     1       7.349  -3.257  -2.721  1.00  0.00           C  
HETATM   46  C   UNL     1       6.640  -2.295  -0.661  1.00  0.00           C  
HETATM   47  H   UNL     1      -6.329  -1.889  -1.637  1.00  0.00           H  
HETATM   48  H   UNL     1       6.887  -4.409  -0.966  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.867  -0.438   1.009  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.833  -1.919   0.800  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.476  -2.374   1.569  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.862  -3.142   0.008  1.00  0.00           H  
HETATM   53  H   UNL     1       2.232   0.452   1.239  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.659   2.040  -4.211  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.589   0.538  -4.431  1.00  0.00           H  
HETATM   56  H   UNL     1     -10.400   2.008  -3.839  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.044   1.920  -1.764  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.974   0.418  -1.984  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.251   0.134  -2.605  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.952   0.750  -0.962  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.851  -1.830  -2.168  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.924  -0.360  -1.770  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.518  -0.327  -0.978  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.312  -0.319   1.682  1.00  0.00           H  
HETATM   65  H   UNL     1       0.777  -2.034  -0.594  1.00  0.00           H  
HETATM   66  H   UNL     1       1.664  -1.660   0.903  1.00  0.00           H  
HETATM   67  H   UNL     1       0.956  -2.585   3.032  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.207  -4.423   4.185  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.815  -5.743   3.518  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.331  -5.327   0.589  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.167  -3.486  -0.557  1.00  0.00           H  
HETATM   72  H   UNL     1       2.399   2.136  -1.141  1.00  0.00           H  
HETATM   73  H   UNL     1       2.264   3.304   1.675  1.00  0.00           H  
HETATM   74  H   UNL     1       2.767   4.211   0.228  1.00  0.00           H  
HETATM   75  H   UNL     1       0.571   3.746  -0.826  1.00  0.00           H  
HETATM   76  H   UNL     1       0.068   2.839   0.621  1.00  0.00           H  
HETATM   77  H   UNL     1       0.805   6.161  -0.760  1.00  0.00           H  
HETATM   78  H   UNL     1       0.092   8.262   0.309  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.863   8.227   2.579  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.112   6.090   3.776  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.404   3.988   2.705  1.00  0.00           H  
HETATM   82  H   UNL     1       4.640   2.750  -0.186  1.00  0.00           H  
HETATM   83  H   UNL     1       4.277   1.735   1.230  1.00  0.00           H  
HETATM   84  H   UNL     1       4.014  -0.236  -0.250  1.00  0.00           H  
HETATM   85  H   UNL     1       4.377   0.779  -1.667  1.00  0.00           H  
HETATM   86  H   UNL     1       7.725  -1.843  -4.274  1.00  0.00           H  
HETATM   87  H   UNL     1       7.602  -4.114  -3.329  1.00  0.00           H  
HETATM   88  H   UNL     1       6.327  -2.387   0.369  1.00  0.00           H  
CONECT    1   10    3   11   47                                       
CONECT    2   45   45   46   48                                       
CONECT    3    1    4   49   50                                       
CONECT    4    3   13   51   52                                       
CONECT    5   10   10                                                 
CONECT    6   26   28   53                                            
CONECT    7    8   54   55   56                                       
CONECT    8    7    9   57   58                                       
CONECT    9    8   10                                                 
CONECT   10    9    1    5    5                                       
CONECT   11    1   12   59   60                                       
CONECT   12   11   13   61   62                                       
CONECT   13    4   12   14                                            
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   63                                            
CONECT   17   16   26   18   64                                       
CONECT   18   17   19   65   66                                       
CONECT   19   20   20   25   18                                       
CONECT   20   21   19   19   67                                       
CONECT   21   22   22   20   68                                       
CONECT   22   23   21   21   24                                       
CONECT   23   22   69                                                 
CONECT   24   22   25   25   70                                       
CONECT   25   24   24   19   71                                       
CONECT   26   17    6   27   27                                       
CONECT   27   26   26                                                 
CONECT   28   29    6   37   72                                       
CONECT   29   30   28   73   74                                       
CONECT   30   31   29   75   76                                       
CONECT   31   36   36   32   30                                       
CONECT   32   33   33   31   77                                       
CONECT   33   34   32   32   78                                       
CONECT   34   35   35   33   79                                       
CONECT   35   34   34   36   80                                       
CONECT   36   35   31   31   81                                       
CONECT   37   28   38   82   83                                       
CONECT   38   37   39   84   85                                       
CONECT   39   42   38   41   41                                       
CONECT   39   40   40                                                 
CONECT   40   39   39                                                 
CONECT   41   39   39                                                 
CONECT   42   46   46   43   39                                       
CONECT   43   44   44   42                                            
CONECT   44   45   43   43   86                                       
CONECT   45    2    2   44   87                                       
CONECT   46    2   42   42   88                                       
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    4                                                      
CONECT   53    6                                                      
CONECT   54    7                                                      
CONECT   55    7                                                      
CONECT   56    7                                                      
CONECT   57    8                                                      
CONECT   58    8                                                      
CONECT   59   11                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   12                                                      
CONECT   63   16                                                      
CONECT   64   17                                                      
CONECT   65   18                                                      
CONECT   66   18                                                      
CONECT   67   20                                                      
CONECT   68   21                                                      
CONECT   69   23                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   32                                                      
CONECT   78   33                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   37                                                      
CONECT   83   37                                                      
CONECT   84   38                                                      
CONECT   85   38                                                      
CONECT   86   44                                                      
CONECT   87   45                                                      
CONECT   88   46                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
