COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.080   0.832  -0.739  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.073   1.132  -1.501  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.585   1.033  -1.709  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.088   2.110   0.401  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.683   0.593  -0.576  1.00  0.00           C  
HETATM    6  C   UNL     1       4.278   5.294   0.521  1.00  0.00           C  
HETATM    7  C   UNL     1       5.126   4.021   0.461  1.00  0.00           C  
HETATM    8  O   UNL     1       4.277   2.895   0.230  1.00  0.00           O  
HETATM    9  C   UNL     1       4.876   1.679   0.149  1.00  0.00           C  
HETATM   10  C   UNL     1       6.253   1.574   0.295  1.00  0.00           C  
HETATM   11  C   UNL     1       6.866   0.344   0.214  1.00  0.00           C  
HETATM   12  C   UNL     1       6.101  -0.806  -0.016  1.00  0.00           C  
HETATM   13  C   UNL     1       6.753  -2.119  -0.103  1.00  0.00           C  
HETATM   14  C   UNL     1       8.248  -2.230   0.056  1.00  0.00           C  
HETATM   15  O   UNL     1       6.089  -3.114  -0.302  1.00  0.00           O  
HETATM   16  C   UNL     1       4.713  -0.701  -0.163  1.00  0.00           C  
HETATM   17  C   UNL     1       4.104   0.537  -0.075  1.00  0.00           C  
HETATM   18  N   UNL     1       2.715   0.646  -0.215  1.00  0.00           N  
HETATM   19  C   UNL     1       1.924  -0.410   0.062  1.00  0.00           C  
HETATM   20  O   UNL     1       2.406  -1.424   0.528  1.00  0.00           O  
HETATM   21  C   UNL     1       0.474  -0.335  -0.202  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.432   0.908  -0.987  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.256  -0.176  -0.711  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.586  -0.097  -0.957  1.00  0.00           O  
HETATM   25  N   UNL     1      -6.251   0.894  -0.407  1.00  0.00           N  
HETATM   26  C   UNL     1      -6.929   2.021   1.641  1.00  0.00           C  
HETATM   27  N   UNL     1      -7.873   1.192   1.792  1.00  0.00           N  
HETATM   28  C   UNL     1      -8.261   0.208   0.788  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.710  -1.355  -0.177  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.581  -2.507   0.116  1.00  0.00           C  
HETATM   31  O   UNL     1      -3.774  -2.438  -0.104  1.00  0.00           O  
HETATM   32  O   UNL     1      -2.054  -3.637   0.628  1.00  0.00           O  
HETATM   33  C   UNL     1      -2.971  -4.731   0.893  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.343  -1.427   0.083  1.00  0.00           C  
HETATM   35  H   UNL     1       0.554   1.679  -0.956  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.586   1.324  -2.457  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.853   1.947  -0.811  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.943   1.936  -2.206  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.811   0.165  -2.328  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.040   2.220   0.681  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.398   2.977  -0.183  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.200   1.473  -0.958  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.804  -0.235  -1.276  1.00  0.00           H  
HETATM   44  H   UNL     1       3.750   5.424  -0.424  1.00  0.00           H  
HETATM   45  H   UNL     1       3.555   5.211   1.333  1.00  0.00           H  
HETATM   46  H   UNL     1       4.925   6.153   0.697  1.00  0.00           H  
HETATM   47  H   UNL     1       5.848   4.104  -0.351  1.00  0.00           H  
HETATM   48  H   UNL     1       5.653   3.891   1.406  1.00  0.00           H  
HETATM   49  H   UNL     1       6.845   2.460   0.473  1.00  0.00           H  
HETATM   50  H   UNL     1       7.937   0.266   0.327  1.00  0.00           H  
HETATM   51  H   UNL     1       8.491  -2.382   1.108  1.00  0.00           H  
HETATM   52  H   UNL     1       8.613  -3.075  -0.527  1.00  0.00           H  
HETATM   53  H   UNL     1       8.720  -1.313  -0.298  1.00  0.00           H  
HETATM   54  H   UNL     1       4.119  -1.585  -0.340  1.00  0.00           H  
HETATM   55  H   UNL     1       2.322   1.482  -0.511  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.854   1.813  -1.398  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.716   2.704   2.451  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.348   0.169   0.721  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.882  -0.772   1.077  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.725  -4.408   1.610  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.458  -5.030  -0.036  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.419  -5.577   1.302  1.00  0.00           H  
HETATM   63  H   UNL     1       0.083  -2.329   0.498  1.00  0.00           H  
CONECT    1   21   22   22   35                                       
CONECT    2   24    3   36   37                                       
CONECT    3    2   25   38   39                                       
CONECT    4   26   25   40   41                                       
CONECT    5   25   28   42   43                                       
CONECT    6    7   44   45   46                                       
CONECT    7    6    8   47   48                                       
CONECT    8    7    9                                                 
CONECT    9   10    8   17   17                                       
CONECT   10   11   11    9   49                                       
CONECT   11   10   10   12   50                                       
CONECT   12   11   13   16   16                                       
CONECT   13   15   15   12   14                                       
CONECT   14   13   51   52   53                                       
CONECT   15   13   13                                                 
CONECT   16   12   12   17   54                                       
CONECT   17    9    9   16   18                                       
CONECT   18   17   19   55                                            
CONECT   19   18   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   34   34    1                                       
CONECT   22    1    1   23   56                                       
CONECT   23   29   29   22   24                                       
CONECT   24   23    2                                                 
CONECT   25    4    3    5                                            
CONECT   26    4   27   27   57                                       
CONECT   27   26   26   28                                            
CONECT   28   27    5   58   59                                       
CONECT   29   34   30   23   23                                       
CONECT   30   32   29   31   31                                       
CONECT   31   30   30                                                 
CONECT   32   33   30                                                 
CONECT   33   32   60   61   62                                       
CONECT   34   21   21   29   63                                       
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   16                                                      
CONECT   55   18                                                      
CONECT   56   22                                                      
CONECT   57   26                                                      
CONECT   58   28                                                      
CONECT   59   28                                                      
CONECT   60   33                                                      
CONECT   61   33                                                      
CONECT   62   33                                                      
CONECT   63   34                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
