COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.428   2.999   2.083  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.039   2.782   0.756  1.00  0.00           C  
HETATM    3  C   UNL     1       7.654  -0.511  -0.703  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.703   1.139   1.517  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.060  -0.588  -2.364  1.00  0.00           C  
HETATM    6  O   UNL     1       2.623   0.139   2.270  1.00  0.00           O  
HETATM    7  O   UNL     1      -2.022  -0.963  -0.073  1.00  0.00           O  
HETATM    8  O   UNL     1       3.719  -2.076  -1.866  1.00  0.00           O  
HETATM    9  O   UNL     1       6.041  -2.405  -1.621  1.00  0.00           O  
HETATM   10  O   UNL     1      -7.952  -0.056  -0.319  1.00  0.00           O  
HETATM   11  O   UNL     1      -6.533  -1.934  -0.195  1.00  0.00           O  
HETATM   12  O   UNL     1       5.099  -0.796  -3.287  1.00  0.00           O  
HETATM   13  O   UNL     1      -6.791  -0.604  -2.295  1.00  0.00           O  
HETATM   14  C   UNL     1       0.572  -3.289   3.482  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.639  -3.572   2.877  1.00  0.00           C  
HETATM   16  C   UNL     1       1.223   2.766  -0.676  1.00  0.00           C  
HETATM   17  C   UNL     1       0.029   2.487  -1.273  1.00  0.00           C  
HETATM   18  C   UNL     1       1.292  -2.166   3.118  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.144  -2.739   1.895  1.00  0.00           C  
HETATM   20  C   UNL     1       6.484   1.228   0.664  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.368   1.927   1.081  1.00  0.00           C  
HETATM   22  C   UNL     1       4.036   0.529  -0.427  1.00  0.00           C  
HETATM   23  N   UNL     1       2.954   2.220   0.913  1.00  0.00           N  
HETATM   24  N   UNL     1      -1.916   1.081  -1.522  1.00  0.00           N  
HETATM   25  C   UNL     1       5.341   1.895   1.060  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.200   1.913   0.345  1.00  0.00           C  
HETATM   27  C   UNL     1       6.405   0.215  -0.274  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.432   1.126   0.707  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.168   0.298  -1.150  1.00  0.00           C  
HETATM   30  C   UNL     1       4.112   1.547   0.515  1.00  0.00           C  
HETATM   31  C   UNL     1       1.740   1.924   0.314  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.703   1.352  -0.908  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.096   1.097  -0.775  1.00  0.00           C  
HETATM   34  C   UNL     1       5.182  -0.134  -0.819  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.332   0.313  -0.406  1.00  0.00           C  
HETATM   36  C   UNL     1       1.559  -0.111   1.737  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.962  -0.709   0.466  1.00  0.00           C  
HETATM   38  C   UNL     1       0.797  -1.314   2.134  1.00  0.00           C  
HETATM   39  C   UNL     1      -0.430  -1.607   1.511  1.00  0.00           C  
HETATM   40  C   UNL     1       1.027   0.782   0.698  1.00  0.00           C  
HETATM   41  C   UNL     1      -0.208   0.493   0.080  1.00  0.00           C  
HETATM   42  S   UNL     1       5.088  -1.426  -2.013  1.00  0.00           S  
HETATM   43  S   UNL     1      -6.693  -0.700  -0.881  1.00  0.00           S  
HETATM   44  H   UNL     1       5.589   3.951   1.577  1.00  0.00           H  
HETATM   45  H   UNL     1       4.499   3.041   2.651  1.00  0.00           H  
HETATM   46  H   UNL     1       6.259   2.802   2.760  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.330   2.191   1.336  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.544   3.172  -0.134  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.402   3.611   1.362  1.00  0.00           H  
HETATM   50  H   UNL     1       7.815  -1.372  -0.054  1.00  0.00           H  
HETATM   51  H   UNL     1       7.542  -0.848  -1.734  1.00  0.00           H  
HETATM   52  H   UNL     1       8.508   0.163  -0.632  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.375   1.903   1.125  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.184   0.163   1.454  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.468   1.362   2.558  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.774  -1.594  -2.055  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.023  -0.625  -2.874  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.306  -0.188  -3.041  1.00  0.00           H  
HETATM   59  H   UNL     1       3.562  -2.805  -2.482  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.765  -0.537  -0.524  1.00  0.00           H  
HETATM   61  H   UNL     1       0.956  -3.947   4.248  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.195  -4.450   3.174  1.00  0.00           H  
HETATM   63  H   UNL     1       1.775   3.646  -0.970  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.356   3.148  -2.035  1.00  0.00           H  
HETATM   65  H   UNL     1       2.236  -1.950   3.595  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.090  -2.967   1.427  1.00  0.00           H  
HETATM   67  H   UNL     1       7.440   1.501   1.084  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.449   2.561   1.951  1.00  0.00           H  
HETATM   69  H   UNL     1       3.082   0.256  -0.853  1.00  0.00           H  
HETATM   70  H   UNL     1       3.000   2.893   1.610  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.944   0.879  -2.470  1.00  0.00           H  
CONECT    1   25   44   45   46                                       
CONECT    2   26   47   48   49                                       
CONECT    3   27   50   51   52                                       
CONECT    4   28   53   54   55                                       
CONECT    5   29   56   57   58                                       
CONECT    6   36   36                                                 
CONECT    7   37   37                                                 
CONECT    8   42   59                                                 
CONECT    9   42   42                                                 
CONECT   10   43   60                                                 
CONECT   11   43   43                                                 
CONECT   12   42   42                                                 
CONECT   13   43   43                                                 
CONECT   14   18   18   15   61                                       
CONECT   15   14   19   19   62                                       
CONECT   16   31   31   17   63                                       
CONECT   17   16   32   32   64                                       
CONECT   18   14   14   38   65                                       
CONECT   19   15   15   39   66                                       
CONECT   20   27   27   25   67                                       
CONECT   21   26   26   28   68                                       
CONECT   22   34   34   30   69                                       
CONECT   23   30   31   70                                            
CONECT   24   32   33   71                                            
CONECT   25    1   20   30   30                                       
CONECT   26    2   21   21   33                                       
CONECT   27    3   20   20   34                                       
CONECT   28    4   21   35   35                                       
CONECT   29    5   33   33   35                                       
CONECT   30   22   23   25   25                                       
CONECT   31   16   16   23   40                                       
CONECT   32   17   17   24   41                                       
CONECT   33   24   26   29   29                                       
CONECT   34   22   22   27   42                                       
CONECT   35   28   28   29   43                                       
CONECT   36    6    6   40   38                                       
CONECT   37    7    7   41   39                                       
CONECT   38   18   36   39   39                                       
CONECT   39   19   37   38   38                                       
CONECT   40   31   36   41   41                                       
CONECT   41   32   37   40   40                                       
CONECT   42    8    9    9   12                                       
CONECT   42   12   34                                                 
CONECT   43   10   11   11   13                                       
CONECT   43   13   35                                                 
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51    3                                                      
CONECT   52    3                                                      
CONECT   53    4                                                      
CONECT   54    4                                                      
CONECT   55    4                                                      
CONECT   56    5                                                      
CONECT   57    5                                                      
CONECT   58    5                                                      
CONECT   59    8                                                      
CONECT   60   10                                                      
CONECT   61   14                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   17                                                      
CONECT   65   18                                                      
CONECT   66   19                                                      
CONECT   67   20                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
