COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.246  -4.036   0.134  1.00  0.00           C  
HETATM    2  O   UNL     1       2.981  -5.301   0.553  1.00  0.00           O  
HETATM    3  C   UNL     1       3.926  -5.902   1.440  1.00  0.00           C  
HETATM    4  C   UNL     1       2.371  -3.392  -0.729  1.00  0.00           C  
HETATM    5  C   UNL     1       2.642  -2.105  -1.153  1.00  0.00           C  
HETATM    6  C   UNL     1       3.785  -1.460  -0.719  1.00  0.00           C  
HETATM    7  C   UNL     1       4.659  -2.100   0.141  1.00  0.00           C  
HETATM    8  C   UNL     1       4.390  -3.384   0.572  1.00  0.00           C  
HETATM    9  S   UNL     1       4.129   0.181  -1.262  1.00  0.00           S  
HETATM   10  O   UNL     1       5.533   0.359  -1.137  1.00  0.00           O  
HETATM   11  O   UNL     1       3.429   0.353  -2.487  1.00  0.00           O  
HETATM   12  N   UNL     1       3.428   1.214  -0.174  1.00  0.00           N  
HETATM   13  C   UNL     1       4.186   1.674   0.992  1.00  0.00           C  
HETATM   14  C   UNL     1       4.865   3.006   0.666  1.00  0.00           C  
HETATM   15  C   UNL     1       3.800   4.079   0.435  1.00  0.00           C  
HETATM   16  C   UNL     1       5.762   3.421   1.834  1.00  0.00           C  
HETATM   17  C   UNL     1       2.050   1.668  -0.378  1.00  0.00           C  
HETATM   18  C   UNL     1       1.094   0.758   0.395  1.00  0.00           C  
HETATM   19  O   UNL     1       1.333   0.895   1.797  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.351   1.154   0.083  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.266   0.209   0.727  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.504   0.022   0.227  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.860   0.638  -0.758  1.00  0.00           O  
HETATM   24  O   UNL     1      -3.345  -0.846   0.819  1.00  0.00           O  
HETATM   25  C   UNL     1      -4.662  -0.997   0.226  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.617  -2.063  -0.780  1.00  0.00           C  
HETATM   27  O   UNL     1      -5.903  -2.268  -1.400  1.00  0.00           O  
HETATM   28  C   UNL     1      -6.765  -3.044  -0.618  1.00  0.00           C  
HETATM   29  O   UNL     1      -7.656  -2.249   0.194  1.00  0.00           O  
HETATM   30  C   UNL     1      -7.067  -1.077   0.804  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.683  -1.316   1.338  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.618   2.564   0.612  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.082   2.740   1.018  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.349   3.141   0.638  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.534   3.806  -0.560  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.451   4.069  -1.378  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.184   3.667  -0.999  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.000   3.003   0.199  1.00  0.00           C  
HETATM   39  H   UNL     1       4.005  -5.304   2.347  1.00  0.00           H  
HETATM   40  H   UNL     1       3.595  -6.909   1.696  1.00  0.00           H  
HETATM   41  H   UNL     1       4.900  -5.953   0.953  1.00  0.00           H  
HETATM   42  H   UNL     1       1.478  -3.896  -1.068  1.00  0.00           H  
HETATM   43  H   UNL     1       1.961  -1.604  -1.824  1.00  0.00           H  
HETATM   44  H   UNL     1       5.551  -1.593   0.478  1.00  0.00           H  
HETATM   45  H   UNL     1       5.070  -3.882   1.247  1.00  0.00           H  
HETATM   46  H   UNL     1       3.509   1.809   1.836  1.00  0.00           H  
HETATM   47  H   UNL     1       4.943   0.933   1.249  1.00  0.00           H  
HETATM   48  H   UNL     1       5.470   2.894  -0.234  1.00  0.00           H  
HETATM   49  H   UNL     1       3.246   3.851  -0.476  1.00  0.00           H  
HETATM   50  H   UNL     1       3.114   4.098   1.281  1.00  0.00           H  
HETATM   51  H   UNL     1       4.280   5.052   0.334  1.00  0.00           H  
HETATM   52  H   UNL     1       6.521   2.656   1.999  1.00  0.00           H  
HETATM   53  H   UNL     1       6.246   4.369   1.602  1.00  0.00           H  
HETATM   54  H   UNL     1       5.157   3.533   2.734  1.00  0.00           H  
HETATM   55  H   UNL     1       1.948   2.692  -0.018  1.00  0.00           H  
HETATM   56  H   UNL     1       1.809   1.631  -1.440  1.00  0.00           H  
HETATM   57  H   UNL     1       1.258  -0.278   0.097  1.00  0.00           H  
HETATM   58  H   UNL     1       1.205   1.793   2.132  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.508   1.135  -0.995  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.982  -0.283   1.513  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.944  -0.062  -0.258  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.891  -1.797  -1.548  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.302  -2.990  -0.300  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.360  -3.678  -1.275  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.169  -3.681   0.036  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.023  -0.280   0.061  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.707  -0.751   1.625  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.582  -2.359   1.638  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.504  -0.668   2.196  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.548   2.564   1.700  1.00  0.00           H  
HETATM   71  H   UNL     1       0.120   3.253   0.201  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.937   2.225   1.956  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.195   2.936   1.278  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.524   4.119  -0.857  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.596   4.587  -2.315  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.339   3.872  -1.639  1.00  0.00           H  
CONECT    1    2    4    4    8                                       
CONECT    2    1    3                                                 
CONECT    3    2   39   40   41                                       
CONECT    4    1    1    5   42                                       
CONECT    5    4    6    6   43                                       
CONECT    6    5    5    7    9                                       
CONECT    7    6    8    8   44                                       
CONECT    8    1    7    7   45                                       
CONECT    9    6   10   10   11                                       
CONECT    9   11   12                                                 
CONECT   10    9    9                                                 
CONECT   11    9    9                                                 
CONECT   12    9   13   17                                            
CONECT   13   12   14   46   47                                       
CONECT   14   13   15   16   48                                       
CONECT   15   14   49   50   51                                       
CONECT   16   14   52   53   54                                       
CONECT   17   12   18   55   56                                       
CONECT   18   17   19   20   57                                       
CONECT   19   18   58                                                 
CONECT   20   18   21   32   59                                       
CONECT   21   20   22   60                                            
CONECT   22   21   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   25                                                 
CONECT   25   24   26   31   61                                       
CONECT   26   25   27   62   63                                       
CONECT   27   26   28                                                 
CONECT   28   27   29   64   65                                       
CONECT   29   28   30                                                 
CONECT   30   29   31   66   67                                       
CONECT   31   25   30   68   69                                       
CONECT   32   20   38   70   71                                       
CONECT   33   34   34   38   72                                       
CONECT   34   33   33   35   73                                       
CONECT   35   34   36   36   74                                       
CONECT   36   35   35   37   75                                       
CONECT   37   36   38   38   76                                       
CONECT   38   32   33   37   37                                       
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46   13                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   26                                                      
CONECT   64   28                                                      
CONECT   65   28                                                      
CONECT   66   30                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   31                                                      
CONECT   70   32                                                      
CONECT   71   32                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   35                                                      
CONECT   75   36                                                      
CONECT   76   37                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
