COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.693   4.764   2.971  1.00  0.00           C  
HETATM    2  O   UNL     1      -1.451   3.963   2.062  1.00  0.00           O  
HETATM    3  C   UNL     1      -2.449   4.581   1.379  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.692   5.933   1.575  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.708   6.559   0.879  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.483   5.840  -0.012  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.243   4.493  -0.209  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.225   3.863   0.479  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.960   2.396   0.259  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.882   1.885  -0.705  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.779   0.566  -1.020  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.816  -0.216  -0.412  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.716  -1.572  -0.734  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.691  -2.412  -0.087  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.509  -1.929   0.143  1.00  0.00           N  
HETATM   16  N   UNL     1       0.483  -2.714   0.745  1.00  0.00           N  
HETATM   17  C   UNL     1       1.896  -2.378   0.550  1.00  0.00           C  
HETATM   18  C   UNL     1       2.234  -2.433  -0.942  1.00  0.00           C  
HETATM   19  C   UNL     1       3.695  -2.023  -1.144  1.00  0.00           C  
HETATM   20  N   UNL     1       3.899  -0.663  -0.627  1.00  0.00           N  
HETATM   21  C   UNL     1       5.177  -0.211  -0.911  1.00  0.00           C  
HETATM   22  N   UNL     1       6.034  -0.980  -1.571  1.00  0.00           N  
HETATM   23  C   UNL     1       7.254  -0.552  -1.844  1.00  0.00           C  
HETATM   24  N   UNL     1       7.682   0.632  -1.487  1.00  0.00           N  
HETATM   25  C   UNL     1       6.884   1.490  -0.811  1.00  0.00           C  
HETATM   26  C   UNL     1       7.152   2.787  -0.345  1.00  0.00           C  
HETATM   27  C   UNL     1       6.159   3.387   0.292  1.00  0.00           C  
HETATM   28  S   UNL     1       4.748   2.344   0.368  1.00  0.00           S  
HETATM   29  C   UNL     1       5.586   1.072  -0.511  1.00  0.00           C  
HETATM   30  C   UNL     1       3.626  -0.597   0.815  1.00  0.00           C  
HETATM   31  C   UNL     1       2.163  -0.965   1.075  1.00  0.00           C  
HETATM   32  C   UNL     1       0.143  -3.778   1.503  1.00  0.00           C  
HETATM   33  O   UNL     1       0.997  -4.425   2.072  1.00  0.00           O  
HETATM   34  C   UNL     1      -1.311  -4.151   1.631  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.457  -5.651   1.888  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.900  -6.047   1.749  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.797  -5.326   1.154  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.522  -3.991   0.522  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.019  -3.825   0.311  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.589  -2.131  -1.670  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.548  -1.343  -2.273  1.00  0.00           C  
HETATM   42  C   UNL     1      -4.647   0.002  -1.953  1.00  0.00           C  
HETATM   43  O   UNL     1      -5.597   0.772  -2.547  1.00  0.00           O  
HETATM   44  C   UNL     1      -6.453   0.131  -3.494  1.00  0.00           C  
HETATM   45  H   UNL     1      -1.357   5.176   3.731  1.00  0.00           H  
HETATM   46  H   UNL     1       0.069   4.149   3.449  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.215   5.578   2.426  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.088   6.495   2.272  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.897   7.612   1.031  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.276   6.332  -0.555  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.850   3.933  -0.906  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.941   2.261  -0.105  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.083   1.859   1.200  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.142   0.220   0.312  1.00  0.00           H  
HETATM   55  H   UNL     1       2.517  -3.092   1.091  1.00  0.00           H  
HETATM   56  H   UNL     1       2.087  -3.447  -1.312  1.00  0.00           H  
HETATM   57  H   UNL     1       1.585  -1.748  -1.487  1.00  0.00           H  
HETATM   58  H   UNL     1       4.344  -2.716  -0.609  1.00  0.00           H  
HETATM   59  H   UNL     1       3.935  -2.046  -2.207  1.00  0.00           H  
HETATM   60  H   UNL     1       7.925  -1.206  -2.382  1.00  0.00           H  
HETATM   61  H   UNL     1       8.108   3.265  -0.497  1.00  0.00           H  
HETATM   62  H   UNL     1       6.209   4.382   0.709  1.00  0.00           H  
HETATM   63  H   UNL     1       4.275  -1.297   1.340  1.00  0.00           H  
HETATM   64  H   UNL     1       3.815   0.414   1.174  1.00  0.00           H  
HETATM   65  H   UNL     1       1.513  -0.257   0.561  1.00  0.00           H  
HETATM   66  H   UNL     1       1.965  -0.931   2.147  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.767  -3.580   2.440  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.858  -6.204   1.165  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.113  -5.882   2.897  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.209  -6.991   2.172  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.806  -5.710   1.109  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.036  -3.931  -0.438  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.884  -3.198   1.177  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.684  -4.514  -0.464  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.514  -3.178  -1.921  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.223  -1.776  -2.997  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.996  -0.678  -3.004  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.163   0.856  -3.892  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.854  -0.276  -4.309  1.00  0.00           H  
CONECT    1    2   45   46   47                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4    8                                       
CONECT    4    3    3    5   48                                       
CONECT    5    4    6    6   49                                       
CONECT    6    5    5    7   50                                       
CONECT    7    8    8    6   51                                       
CONECT    8    3    9    7    7                                       
CONECT    9    8   10   52   53                                       
CONECT   10   11    9                                                 
CONECT   11   12   12   42   10                                       
CONECT   12   13   11   11   54                                       
CONECT   13   14   40   40   12                                       
CONECT   14   39   15   15   13                                       
CONECT   15   16   14   14                                            
CONECT   16   32   17   15                                            
CONECT   17   18   16   31   55                                       
CONECT   18   19   17   56   57                                       
CONECT   19   20   18   58   59                                       
CONECT   20   19   30   21                                            
CONECT   21   20   22   22   29                                       
CONECT   22   21   21   23                                            
CONECT   23   22   24   24   60                                       
CONECT   24   23   23   25                                            
CONECT   25   29   29   24   26                                       
CONECT   26   25   27   27   61                                       
CONECT   27   28   26   26   62                                       
CONECT   28   29   27                                                 
CONECT   29   21   28   25   25                                       
CONECT   30   20   31   63   64                                       
CONECT   31   17   30   65   66                                       
CONECT   32   33   33   34   16                                       
CONECT   33   32   32                                                 
CONECT   34   35   32   39   67                                       
CONECT   35   36   34   68   69                                       
CONECT   36   35   37   37   70                                       
CONECT   37   36   36   38   71                                       
CONECT   38   37   39   72   73                                       
CONECT   39   34   38   14   74                                       
CONECT   40   13   13   41   75                                       
CONECT   41   40   42   42   76                                       
CONECT   42   41   41   11   43                                       
CONECT   43   42   44                                                 
CONECT   44   43   77   78   79                                       
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    9                                                      
CONECT   53    9                                                      
CONECT   54   12                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   23                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   30                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   31                                                      
CONECT   67   34                                                      
CONECT   68   35                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
CONECT   71   37                                                      
CONECT   72   38                                                      
CONECT   73   38                                                      
CONECT   74   39                                                      
CONECT   75   40                                                      
CONECT   76   41                                                      
CONECT   77   44                                                      
CONECT   78   44                                                      
CONECT   79   44                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
