COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.664   0.053   0.129  1.00  0.00           C  
HETATM    2  C   UNL     1       6.827   0.125  -0.891  1.00  0.00           C  
HETATM    3  O   UNL     1       8.015  -2.410   0.451  1.00  0.00           O  
HETATM    4  C   UNL     1       9.292  -2.183  -0.181  1.00  0.00           C  
HETATM    5  C   UNL     1       8.078  -0.079  -0.005  1.00  0.00           C  
HETATM    6  C   UNL     1       6.095  -1.046   1.121  1.00  0.00           C  
HETATM    7  C   UNL     1       9.166  -0.790  -0.836  1.00  0.00           C  
HETATM    8  C   UNL     1       7.631  -1.132   1.046  1.00  0.00           C  
HETATM    9  O   UNL     1       4.428  -0.318  -0.535  1.00  0.00           O  
HETATM   10  C   UNL     1       3.246   0.088  -0.034  1.00  0.00           C  
HETATM   11  C   UNL     1       0.812   0.185  -0.106  1.00  0.00           C  
HETATM   12  C   UNL     1       0.496   1.590  -0.621  1.00  0.00           C  
HETATM   13  C   UNL     1       1.513   2.564  -0.083  1.00  0.00           C  
HETATM   14  C   UNL     1       1.284   3.209   1.118  1.00  0.00           C  
HETATM   15  C   UNL     1       2.218   4.099   1.614  1.00  0.00           C  
HETATM   16  C   UNL     1       3.378   4.350   0.904  1.00  0.00           C  
HETATM   17  C   UNL     1       3.604   3.708  -0.299  1.00  0.00           C  
HETATM   18  C   UNL     1       2.672   2.815  -0.793  1.00  0.00           C  
HETATM   19  O   UNL     1       3.214   0.765   0.974  1.00  0.00           O  
HETATM   20  N   UNL     1       2.098  -0.257  -0.651  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.289  -0.781  -0.549  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.608  -0.392   0.121  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.685  -2.650   0.543  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.013  -2.363   2.010  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.424  -1.782   2.113  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.937  -3.663   2.813  1.00  0.00           C  
HETATM   27  O   UNL     1      -0.437  -0.715  -1.968  1.00  0.00           O  
HETATM   28  O   UNL     1      -3.124  -0.119  -2.246  1.00  0.00           O  
HETATM   29  O   UNL     1      -4.195  -2.367  -1.826  1.00  0.00           O  
HETATM   30  N   UNL     1      -2.632  -1.390  -0.201  1.00  0.00           N  
HETATM   31  S   UNL     1      -3.728  -1.092  -1.405  1.00  0.00           S  
HETATM   32  C   UNL     1      -5.115  -0.293  -0.669  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.152   1.086  -0.580  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.240   1.713  -0.003  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.292   0.961   0.485  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.257  -0.418   0.395  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.170  -1.045  -0.186  1.00  0.00           C  
HETATM   38  C   UNL     1      -8.478   1.644   1.115  1.00  0.00           C  
HETATM   39  O   UNL     1      -9.456   1.924   0.111  1.00  0.00           O  
HETATM   40  H   UNL     1       5.548   1.007   0.644  1.00  0.00           H  
HETATM   41  H   UNL     1       6.743  -0.672  -1.629  1.00  0.00           H  
HETATM   42  H   UNL     1       6.853   1.101  -1.377  1.00  0.00           H  
HETATM   43  H   UNL     1       9.481  -2.943  -0.939  1.00  0.00           H  
HETATM   44  H   UNL     1      10.089  -2.182   0.563  1.00  0.00           H  
HETATM   45  H   UNL     1       8.430   0.848   0.447  1.00  0.00           H  
HETATM   46  H   UNL     1       5.785  -0.796   2.135  1.00  0.00           H  
HETATM   47  H   UNL     1       5.654  -1.996   0.820  1.00  0.00           H  
HETATM   48  H   UNL     1       8.852  -0.884  -1.875  1.00  0.00           H  
HETATM   49  H   UNL     1      10.111  -0.250  -0.769  1.00  0.00           H  
HETATM   50  H   UNL     1       8.103  -0.978   2.017  1.00  0.00           H  
HETATM   51  H   UNL     1       0.865   0.201   0.983  1.00  0.00           H  
HETATM   52  H   UNL     1       0.530   1.594  -1.710  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.500   1.884  -0.288  1.00  0.00           H  
HETATM   54  H   UNL     1       0.378   3.013   1.672  1.00  0.00           H  
HETATM   55  H   UNL     1       2.042   4.600   2.554  1.00  0.00           H  
HETATM   56  H   UNL     1       4.107   5.047   1.290  1.00  0.00           H  
HETATM   57  H   UNL     1       4.510   3.904  -0.854  1.00  0.00           H  
HETATM   58  H   UNL     1       2.849   2.314  -1.733  1.00  0.00           H  
HETATM   59  H   UNL     1       2.124  -0.798  -1.456  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.019  -1.796  -0.258  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.926   0.585  -0.243  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.469  -0.350   1.201  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.719  -3.152   0.478  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.457  -3.291   0.117  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.295  -1.647   2.409  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.130  -2.454   1.626  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.695  -1.669   3.163  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.453  -0.808   1.624  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.655  -4.380   2.414  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.931  -4.078   2.740  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.170  -3.459   3.858  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.675   0.198  -2.182  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.329   1.674  -0.961  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.268   2.790   0.068  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.079  -1.005   0.775  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.142  -2.122  -0.257  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.913   0.993   1.874  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.157   2.577   1.578  1.00  0.00           H  
HETATM   79  H   UNL     1     -10.196   2.360   0.555  1.00  0.00           H  
CONECT    1    2    6    9   40                                       
CONECT    2    1    5   41   42                                       
CONECT    3    4    8                                                 
CONECT    4    3    7   43   44                                       
CONECT    5    2    7    8   45                                       
CONECT    6    1    8   46   47                                       
CONECT    7    4    5   48   49                                       
CONECT    8    3    5    6   50                                       
CONECT    9    1   10                                                 
CONECT   10    9   19   19   20                                       
CONECT   11   12   20   21   51                                       
CONECT   12   11   13   52   53                                       
CONECT   13   12   14   18   18                                       
CONECT   14   13   15   15   54                                       
CONECT   15   14   14   16   55                                       
CONECT   16   15   17   17   56                                       
CONECT   17   16   16   18   57                                       
CONECT   18   13   13   17   58                                       
CONECT   19   10   10                                                 
CONECT   20   10   11   59                                            
CONECT   21   11   22   27   60                                       
CONECT   22   21   30   61   62                                       
CONECT   23   24   30   63   64                                       
CONECT   24   23   25   26   65                                       
CONECT   25   24   66   67   68                                       
CONECT   26   24   69   70   71                                       
CONECT   27   21   72                                                 
CONECT   28   31   31                                                 
CONECT   29   31   31                                                 
CONECT   30   22   23   31                                            
CONECT   31   28   28   29   29                                       
CONECT   31   30   32                                                 
CONECT   32   31   33   33   37                                       
CONECT   33   32   32   34   73                                       
CONECT   34   33   35   35   74                                       
CONECT   35   34   34   36   38                                       
CONECT   36   35   37   37   75                                       
CONECT   37   32   36   36   76                                       
CONECT   38   35   39   77   78                                       
CONECT   39   38   79                                                 
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    2                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   33                                                      
CONECT   74   34                                                      
CONECT   75   36                                                      
CONECT   76   37                                                      
CONECT   77   38                                                      
CONECT   78   38                                                      
CONECT   79   39                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
