COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.687   1.830  -2.276  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.982   0.546  -2.653  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.104   0.407  -3.587  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.894   1.898  -3.240  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.415   1.892   1.559  1.00  0.00           C  
HETATM    6  O   UNL     1       2.416  -1.455   0.316  1.00  0.00           O  
HETATM    7  N   UNL     1       6.930   0.734  -0.536  1.00  0.00           N  
HETATM    8  C   UNL     1       7.892   1.630  -0.244  1.00  0.00           C  
HETATM    9  C   UNL     1       7.550   2.878   0.529  1.00  0.00           C  
HETATM   10  C   UNL     1       7.569   2.571   2.028  1.00  0.00           C  
HETATM   11  C   UNL     1       8.577   3.969   0.218  1.00  0.00           C  
HETATM   12  C   UNL     1       7.268  -0.535  -1.195  1.00  0.00           C  
HETATM   13  C   UNL     1       6.744  -1.692  -0.337  1.00  0.00           C  
HETATM   14  C   UNL     1       1.125  -1.605  -0.036  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.217  -0.942   0.088  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.870  -1.995   0.986  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.221  -3.356   0.731  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.786  -4.383   1.714  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.519  -3.804  -0.701  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.937   0.372   0.249  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.949   1.739   0.109  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.162   1.773  -0.822  1.00  0.00           C  
HETATM   23  C   UNL     1       3.370  -2.380  -0.268  1.00  0.00           C  
HETATM   24  C   UNL     1       4.584  -2.664   0.633  1.00  0.00           C  
HETATM   25  C   UNL     1       5.263  -1.465  -0.041  1.00  0.00           C  
HETATM   26  C   UNL     1       4.991  -0.137   0.663  1.00  0.00           C  
HETATM   27  C   UNL     1       5.527   1.007  -0.197  1.00  0.00           C  
HETATM   28  C   UNL     1       4.352  -1.715  -1.249  1.00  0.00           C  
HETATM   29  N   UNL     1       0.188  -0.779   0.471  1.00  0.00           N  
HETATM   30  N   UNL     1      -3.249   0.462  -0.047  1.00  0.00           N  
HETATM   31  N   UNL     1      -4.796  -0.228  -3.391  1.00  0.00           N  
HETATM   32  O   UNL     1       0.804  -2.485  -0.809  1.00  0.00           O  
HETATM   33  O   UNL     1      -2.847   0.258  -2.337  1.00  0.00           O  
HETATM   34  O   UNL     1      -5.097   3.138   1.711  1.00  0.00           O  
HETATM   35  O   UNL     1      -1.336   1.349   0.644  1.00  0.00           O  
HETATM   36  O   UNL     1       9.034   1.434  -0.602  1.00  0.00           O  
HETATM   37  H   UNL     1      -4.029   2.686  -2.428  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.843  -0.035  -2.918  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.424   0.301  -4.623  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.771   2.310  -2.740  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.649   2.475  -4.132  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.551   1.866   2.223  1.00  0.00           H  
HETATM   43  H   UNL     1       6.556   3.222   0.242  1.00  0.00           H  
HETATM   44  H   UNL     1       7.321   3.474   2.587  1.00  0.00           H  
HETATM   45  H   UNL     1       6.837   1.794   2.249  1.00  0.00           H  
HETATM   46  H   UNL     1       8.563   2.227   2.315  1.00  0.00           H  
HETATM   47  H   UNL     1       8.502   4.249  -0.832  1.00  0.00           H  
HETATM   48  H   UNL     1       8.380   4.841   0.842  1.00  0.00           H  
HETATM   49  H   UNL     1       9.579   3.593   0.424  1.00  0.00           H  
HETATM   50  H   UNL     1       6.803  -0.571  -2.180  1.00  0.00           H  
HETATM   51  H   UNL     1       8.351  -0.617  -1.297  1.00  0.00           H  
HETATM   52  H   UNL     1       6.868  -2.631  -0.876  1.00  0.00           H  
HETATM   53  H   UNL     1       7.301  -1.733   0.599  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.275  -1.264  -0.951  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.734  -1.717   2.031  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.935  -2.053   0.761  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.142  -3.276   0.870  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.864  -4.464   1.575  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.323  -5.353   1.533  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.574  -4.064   2.735  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.597  -3.884  -0.840  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.116  -3.072  -1.402  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.056  -4.774  -0.883  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.274   2.557  -0.143  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.765   2.654  -0.602  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.762   0.875  -0.671  1.00  0.00           H  
HETATM   67  H   UNL     1       2.899  -3.280  -0.663  1.00  0.00           H  
HETATM   68  H   UNL     1       4.385  -2.514   1.694  1.00  0.00           H  
HETATM   69  H   UNL     1       5.069  -3.618   0.424  1.00  0.00           H  
HETATM   70  H   UNL     1       3.917  -0.014   0.807  1.00  0.00           H  
HETATM   71  H   UNL     1       5.491  -0.129   1.631  1.00  0.00           H  
HETATM   72  H   UNL     1       5.460   1.943   0.358  1.00  0.00           H  
HETATM   73  H   UNL     1       4.943   1.081  -1.113  1.00  0.00           H  
HETATM   74  H   UNL     1       4.774  -2.406  -1.979  1.00  0.00           H  
HETATM   75  H   UNL     1       3.966  -0.802  -1.702  1.00  0.00           H  
HETATM   76  H   UNL     1       0.444  -0.076   1.089  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.730  -0.319  -0.362  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.551  -1.096  -3.748  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.554   3.911   1.503  1.00  0.00           H  
HETATM   80  S   UNL     1      -5.540   0.532   1.979  1.00  0.00           S  
HETATM   81  O   UNL     1      -6.641   0.500   1.080  1.00  0.00           O  
HETATM   82  O   UNL     1      -4.752  -0.728   1.651  1.00  0.00           O  
HETATM   83  O   UNL     1      -5.740   0.465   3.384  1.00  0.00           O  
HETATM   84  H   UNL     1      -5.232  -1.549   1.827  1.00  0.00           H  
CONECT    1    4   22    2   37                                       
CONECT    2   31    1   33   33                                       
CONECT    3    4   31   38   39                                       
CONECT    4    3    1   40   41                                       
CONECT    5   34   21   42   80                                       
CONECT    6   23   14                                                 
CONECT    7   27    8   12                                            
CONECT    8    9    7   36   36                                       
CONECT    9   10   11    8   43                                       
CONECT   10    9   44   45   46                                       
CONECT   11    9   47   48   49                                       
CONECT   12    7   13   50   51                                       
CONECT   13   12   25   52   53                                       
CONECT   14    6   29   32   32                                       
CONECT   15   20   16   29   54                                       
CONECT   16   15   17   55   56                                       
CONECT   17   16   18   19   57                                       
CONECT   18   17   58   59   60                                       
CONECT   19   17   61   62   63                                       
CONECT   20   35   35   30   15                                       
CONECT   21    5   22   30   64                                       
CONECT   22   21    1   65   66                                       
CONECT   23   28    6   24   67                                       
CONECT   24   25   23   68   69                                       
CONECT   25   26   28   24   13                                       
CONECT   26   27   25   70   71                                       
CONECT   27   26    7   72   73                                       
CONECT   28   25   23   74   75                                       
CONECT   29   14   15   76                                            
CONECT   30   21   20   77                                            
CONECT   31    3    2   78                                            
CONECT   32   14   14                                                 
CONECT   33    2    2                                                 
CONECT   34    5   79                                                 
CONECT   35   20   20                                                 
CONECT   36    8    8                                                 
CONECT   37    1                                                      
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   24                                                      
CONECT   70   26                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   31                                                      
CONECT   79   34                                                      
CONECT   80    5   81   81   82                                       
CONECT   80   83   83                                                 
CONECT   81   80   80                                                 
CONECT   82   80   84                                                 
CONECT   83   80   80                                                 
CONECT   84   82                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
