COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.877   3.378  -1.220  1.00  0.00           C  
HETATM    2  C   UNL     1       3.114   1.318   1.678  1.00  0.00           C  
HETATM    3  C   UNL     1       4.668  -0.171   0.516  1.00  0.00           C  
HETATM    4  C   UNL     1       5.020  -1.584  -2.007  1.00  0.00           C  
HETATM    5  C   UNL     1       6.219  -1.089  -1.197  1.00  0.00           C  
HETATM    6  C   UNL     1       5.841   0.170  -0.414  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.678  -1.670  -0.678  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.912  -1.317   1.366  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.344  -1.059   0.048  1.00  0.00           C  
HETATM   10  C   UNL     1       1.031  -1.019  -0.416  1.00  0.00           C  
HETATM   11  C   UNL     1       2.201  -0.693   0.478  1.00  0.00           C  
HETATM   12  C   UNL     1       2.379  -1.798   1.520  1.00  0.00           C  
HETATM   13  C   UNL     1       1.889   0.634   1.168  1.00  0.00           C  
HETATM   14  C   UNL     1       1.200   1.573   0.175  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.252   1.832   0.599  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.116   1.966  -0.645  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.593   1.786  -0.486  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.608   3.516  -2.557  1.00  0.00           C  
HETATM   19  C   UNL     1       4.334   0.995   1.392  1.00  0.00           C  
HETATM   20  C   UNL     1       3.468  -0.553  -0.354  1.00  0.00           C  
HETATM   21  C   UNL     1       3.830  -1.854  -1.079  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.410  -0.797  -0.825  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.670  -0.743   0.013  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.997  -1.685   0.097  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.990  -2.633  -0.578  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.517  -0.269   0.026  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.995  -0.016  -0.096  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.693   0.715   0.087  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.195   0.643   0.288  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.055   0.942   1.806  1.00  0.00           C  
HETATM   31  N   UNL     1      -2.260  -1.370   1.287  1.00  0.00           N  
HETATM   32  O   UNL     1      -0.304  -1.500   2.400  1.00  0.00           O  
HETATM   33  O   UNL     1      -0.306   3.046   1.354  1.00  0.00           O  
HETATM   34  O   UNL     1       6.958   0.605   0.363  1.00  0.00           O  
HETATM   35  O   UNL     1       1.241  -1.210  -1.602  1.00  0.00           O  
HETATM   36  O   UNL     1      -1.329  -0.617  -2.151  1.00  0.00           O  
HETATM   37  H   UNL     1      -1.255   4.124  -0.521  1.00  0.00           H  
HETATM   38  H   UNL     1       0.191   3.532  -1.373  1.00  0.00           H  
HETATM   39  H   UNL     1       2.967   2.167   2.328  1.00  0.00           H  
HETATM   40  H   UNL     1       4.977  -1.019   1.133  1.00  0.00           H  
HETATM   41  H   UNL     1       4.740  -0.832  -2.743  1.00  0.00           H  
HETATM   42  H   UNL     1       5.289  -2.508  -2.519  1.00  0.00           H  
HETATM   43  H   UNL     1       6.535  -1.865  -0.505  1.00  0.00           H  
HETATM   44  H   UNL     1       7.043  -0.859  -1.875  1.00  0.00           H  
HETATM   45  H   UNL     1       5.545   0.960  -1.104  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.861  -1.306  -1.692  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.270  -2.679  -0.731  1.00  0.00           H  
HETATM   48  H   UNL     1       2.639  -2.730   1.020  1.00  0.00           H  
HETATM   49  H   UNL     1       3.176  -1.521   2.211  1.00  0.00           H  
HETATM   50  H   UNL     1       1.448  -1.928   2.073  1.00  0.00           H  
HETATM   51  H   UNL     1       1.216   0.444   2.003  1.00  0.00           H  
HETATM   52  H   UNL     1       1.737   2.522   0.148  1.00  0.00           H  
HETATM   53  H   UNL     1       1.220   1.137  -0.822  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.582   1.002   1.217  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.737   1.268  -1.397  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.984   2.716  -0.040  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.036   1.765  -1.498  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.350   4.470  -3.016  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.311   2.702  -3.219  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.684   3.472  -2.388  1.00  0.00           H  
HETATM   61  H   UNL     1       5.137   1.588   1.804  1.00  0.00           H  
HETATM   62  H   UNL     1       3.317   0.227  -1.108  1.00  0.00           H  
HETATM   63  H   UNL     1       2.988  -2.214  -1.661  1.00  0.00           H  
HETATM   64  H   UNL     1       4.123  -2.614  -0.350  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.836  -1.981   1.128  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.575  -3.641  -0.599  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.926  -2.638  -0.020  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.178  -2.297  -1.598  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.433   0.066   0.899  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.161   0.911  -0.644  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.462  -0.843  -0.631  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.097   1.707  -0.031  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.023   0.777   2.115  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.330   1.979   1.999  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.713   0.281   2.369  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.853  -1.770   1.941  1.00  0.00           H  
HETATM   77  H   UNL     1       0.233   3.034   2.156  1.00  0.00           H  
HETATM   78  H   UNL     1       7.736   0.837  -0.162  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.449  -0.673  -2.548  1.00  0.00           H  
CONECT    1   16   18   37   38                                       
CONECT    2   13   19   19   39                                       
CONECT    3   20   19    6   40                                       
CONECT    4   21    5   41   42                                       
CONECT    5    4    6   43   44                                       
CONECT    6    3    5   34   45                                       
CONECT    7   24   23   46   47                                       
CONECT    8   31   32   32    9                                       
CONECT    9    8   22   22   10                                       
CONECT   10    9   35   35   11                                       
CONECT   11   10   12   13   20                                       
CONECT   12   11   48   49   50                                       
CONECT   13   11   14    2   51                                       
CONECT   14   15   13   52   53                                       
CONECT   15   16   33   14   54                                       
CONECT   16   17   15    1   55                                       
CONECT   17   29   16   56   57                                       
CONECT   18    1   58   59   60                                       
CONECT   19    2    2    3   61                                       
CONECT   20   11   21    3   62                                       
CONECT   21   20    4   63   64                                       
CONECT   22   23   36    9    9                                       
CONECT   23    7   31   29   22                                       
CONECT   24   25    7   26   65                                       
CONECT   25   24   66   67   68                                       
CONECT   26   24   27   28   28                                       
CONECT   27   26   69   70   71                                       
CONECT   28   26   26   29   72                                       
CONECT   29   30   28   23   17                                       
CONECT   30   29   73   74   75                                       
CONECT   31   23    8   76                                            
CONECT   32    8    8                                                 
CONECT   33   15   77                                                 
CONECT   34    6   78                                                 
CONECT   35   10   10                                                 
CONECT   36   22   79                                                 
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   27                                                      
CONECT   70   27                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   30                                                      
CONECT   74   30                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   36                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
