COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.606   0.410   0.388  1.00  0.00           C  
HETATM    2  C   UNL     1       4.838   1.068  -0.240  1.00  0.00           C  
HETATM    3  C   UNL     1       5.690  -0.007  -0.921  1.00  0.00           C  
HETATM    4  C   UNL     1       6.064  -1.076   0.110  1.00  0.00           C  
HETATM    5  C   UNL     1       4.786  -1.652   0.724  1.00  0.00           C  
HETATM    6  C   UNL     1       5.152  -2.678   1.798  1.00  0.00           C  
HETATM    7  O   UNL     1       6.799  -2.121  -0.531  1.00  0.00           O  
HETATM    8  O   UNL     1       2.811  -0.188  -0.638  1.00  0.00           O  
HETATM    9  O   UNL     1       4.025  -0.595   1.314  1.00  0.00           O  
HETATM   10  N   UNL     1       3.929  -3.316   2.303  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.298  -1.195  -0.758  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.624  -1.626  -0.309  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.285  -2.312  -0.503  1.00  0.00           C  
HETATM   14  C   UNL     1       1.100  -1.862  -0.972  1.00  0.00           C  
HETATM   15  N   UNL     1       2.073  -2.935  -0.727  1.00  0.00           N  
HETATM   16  C   UNL     1       1.518  -0.609  -0.200  1.00  0.00           C  
HETATM   17  C   UNL     1       0.504   0.509  -0.456  1.00  0.00           C  
HETATM   18  O   UNL     1       0.894   1.679   0.266  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.881   0.059   0.014  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.827   1.102  -0.225  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.348   1.698   0.965  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.717   2.317   0.669  1.00  0.00           C  
HETATM   23  O   UNL     1      -4.595   1.311   0.159  1.00  0.00           O  
HETATM   24  C   UNL     1      -3.551   3.428  -0.373  1.00  0.00           C  
HETATM   25  N   UNL     1      -4.847   4.078  -0.607  1.00  0.00           N  
HETATM   26  C   UNL     1      -2.548   4.459   0.152  1.00  0.00           C  
HETATM   27  O   UNL     1      -2.331   5.463  -0.842  1.00  0.00           O  
HETATM   28  C   UNL     1      -1.225   3.757   0.468  1.00  0.00           C  
HETATM   29  O   UNL     1      -1.454   2.716   1.419  1.00  0.00           O  
HETATM   30  C   UNL     1      -0.236   4.770   1.049  1.00  0.00           C  
HETATM   31  O   UNL     1       1.031   4.140   1.246  1.00  0.00           O  
HETATM   32  O   UNL     1       4.423   2.033  -1.208  1.00  0.00           O  
HETATM   33  O   UNL     1       6.878   0.588  -1.448  1.00  0.00           O  
HETATM   34  N   UNL     1      -5.865  -5.062   2.172  1.00  0.00           N  
HETATM   35  C   UNL     1      -3.411  -2.350  -1.129  1.00  0.00           C  
HETATM   36  O   UNL     1      -3.021  -2.645  -2.239  1.00  0.00           O  
HETATM   37  C   UNL     1      -4.775  -2.794  -0.667  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.626  -3.770   0.501  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.009  -4.124   1.050  1.00  0.00           C  
HETATM   40  O   UNL     1      -5.456  -3.440  -1.745  1.00  0.00           O  
HETATM   41  H   UNL     1       3.018   1.163   0.911  1.00  0.00           H  
HETATM   42  H   UNL     1       5.423   1.560   0.537  1.00  0.00           H  
HETATM   43  H   UNL     1       5.122  -0.464  -1.731  1.00  0.00           H  
HETATM   44  H   UNL     1       6.675  -0.628   0.894  1.00  0.00           H  
HETATM   45  H   UNL     1       4.194  -2.135  -0.054  1.00  0.00           H  
HETATM   46  H   UNL     1       5.807  -3.436   1.368  1.00  0.00           H  
HETATM   47  H   UNL     1       5.665  -2.177   2.619  1.00  0.00           H  
HETATM   48  H   UNL     1       7.623  -1.827  -0.942  1.00  0.00           H  
HETATM   49  H   UNL     1       3.401  -3.733   1.550  1.00  0.00           H  
HETATM   50  H   UNL     1       4.144  -3.999   3.014  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.331  -0.971  -1.825  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.936  -1.390   0.578  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.252  -2.536   0.563  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.582  -3.205  -1.053  1.00  0.00           H  
HETATM   55  H   UNL     1       1.067  -1.638  -2.038  1.00  0.00           H  
HETATM   56  H   UNL     1       1.727  -3.821  -1.064  1.00  0.00           H  
HETATM   57  H   UNL     1       2.966  -2.715  -1.140  1.00  0.00           H  
HETATM   58  H   UNL     1       1.550  -0.833   0.866  1.00  0.00           H  
HETATM   59  H   UNL     1       0.472   0.733  -1.522  1.00  0.00           H  
HETATM   60  H   UNL     1       1.688   2.109  -0.082  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.848  -0.166   1.080  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.453   0.935   1.737  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.133   2.735   1.585  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.742   0.573   0.766  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.183   3.001  -1.306  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.528   3.415  -0.947  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.177   4.539   0.227  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.941   4.922   1.057  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.705   6.150  -0.576  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.812   3.331  -0.446  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.123   5.606   0.358  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.611   5.137   2.005  1.00  0.00           H  
HETATM   73  H   UNL     1       1.709   4.725   1.613  1.00  0.00           H  
HETATM   74  H   UNL     1       3.874   2.742  -0.846  1.00  0.00           H  
HETATM   75  H   UNL     1       6.714   1.279  -2.104  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.263  -4.681   2.886  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.766  -5.311   2.553  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.349  -1.925  -0.343  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.129  -4.677   0.155  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.029  -3.308   1.287  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.605  -4.587   0.264  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.505  -3.217   1.396  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.001  -4.223  -2.084  1.00  0.00           H  
CONECT    1    9    8    2   41                                       
CONECT    2    3    1   32   42                                       
CONECT    3    4   33    2   43                                       
CONECT    4    7    5    3   44                                       
CONECT    5    6    4    9   45                                       
CONECT    6    5   10   46   47                                       
CONECT    7    4   48                                                 
CONECT    8    1   16                                                 
CONECT    9    5    1                                                 
CONECT   10    6   49   50                                            
CONECT   11   13   12   19   51                                       
CONECT   12   11   35   52                                            
CONECT   13   14   11   53   54                                       
CONECT   14   15   13   16   55                                       
CONECT   15   14   56   57                                            
CONECT   16   14    8   17   58                                       
CONECT   17   16   19   18   59                                       
CONECT   18   17   60                                                 
CONECT   19   11   17   20   61                                       
CONECT   20   19   21                                                 
CONECT   21   20   22   29   62                                       
CONECT   22   23   21   24   63                                       
CONECT   23   22   64                                                 
CONECT   24   22   25   26   65                                       
CONECT   25   24   66   67                                            
CONECT   26   24   28   27   68                                       
CONECT   27   26   69                                                 
CONECT   28   29   26   30   70                                       
CONECT   29   21   28                                                 
CONECT   30   28   31   71   72                                       
CONECT   31   30   73                                                 
CONECT   32    2   74                                                 
CONECT   33    3   75                                                 
CONECT   34   39   76   77                                            
CONECT   35   36   36   12   37                                       
CONECT   36   35   35                                                 
CONECT   37   35   40   38   78                                       
CONECT   38   37   39   79   80                                       
CONECT   39   38   34   81   82                                       
CONECT   40   37   83                                                 
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   30                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   34                                                      
CONECT   77   34                                                      
CONECT   78   37                                                      
CONECT   79   38                                                      
CONECT   80   38                                                      
CONECT   81   39                                                      
CONECT   82   39                                                      
CONECT   83   40                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
