COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.647  -3.624   0.293  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.224  -2.778  -0.756  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.891  -2.673  -1.035  1.00  0.00           C  
HETATM    4  C   UNL     1       0.032  -3.414  -0.265  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.415  -4.220   0.739  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.743  -4.318   1.009  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.197  -5.192   2.095  1.00  0.00           C  
HETATM    8  O   UNL     1      -3.835  -3.723   0.555  1.00  0.00           O  
HETATM    9  N   UNL     1      -3.162  -2.055  -1.504  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.992  -1.141  -0.876  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.797  -0.850   0.474  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.616   0.057   1.090  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.629   0.666   0.333  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.766   0.327  -1.014  1.00  0.00           C  
HETATM   15  N   UNL     1      -4.958  -0.551  -1.568  1.00  0.00           N  
HETATM   16  C   UNL     1      -6.536   1.651   0.953  1.00  0.00           C  
HETATM   17  O   UNL     1      -6.839   1.544   2.126  1.00  0.00           O  
HETATM   18  N   UNL     1      -7.029   2.668   0.220  1.00  0.00           N  
HETATM   19  C   UNL     1      -8.027   3.593   0.782  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.547   5.028   0.537  1.00  0.00           C  
HETATM   21  O   UNL     1      -7.239   5.192  -0.849  1.00  0.00           O  
HETATM   22  C   UNL     1      -6.176   4.358  -1.315  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.581   2.891  -1.164  1.00  0.00           C  
HETATM   24  C   UNL     1       1.486  -3.316  -0.549  1.00  0.00           C  
HETATM   25  C   UNL     1       2.140  -4.356  -1.207  1.00  0.00           C  
HETATM   26  C   UNL     1       3.493  -4.264  -1.471  1.00  0.00           C  
HETATM   27  C   UNL     1       4.201  -3.142  -1.085  1.00  0.00           C  
HETATM   28  C   UNL     1       3.556  -2.100  -0.429  1.00  0.00           C  
HETATM   29  C   UNL     1       2.197  -2.183  -0.165  1.00  0.00           C  
HETATM   30  C   UNL     1       1.495  -1.052   0.541  1.00  0.00           C  
HETATM   31  N   UNL     1       4.277  -0.966  -0.040  1.00  0.00           N  
HETATM   32  C   UNL     1       4.908  -0.932   1.278  1.00  0.00           C  
HETATM   33  C   UNL     1       6.289  -0.287   1.204  1.00  0.00           C  
HETATM   34  C   UNL     1       4.383   0.075  -0.887  1.00  0.00           C  
HETATM   35  C   UNL     1       5.275   1.199  -0.544  1.00  0.00           C  
HETATM   36  C   UNL     1       6.205   1.035   0.486  1.00  0.00           C  
HETATM   37  C   UNL     1       7.036   2.074   0.831  1.00  0.00           C  
HETATM   38  C   UNL     1       6.960   3.283   0.144  1.00  0.00           C  
HETATM   39  C   UNL     1       6.048   3.441  -0.897  1.00  0.00           C  
HETATM   40  C   UNL     1       5.218   2.402  -1.248  1.00  0.00           C  
HETATM   41  N   UNL     1       7.797   4.335   0.497  1.00  0.00           N  
HETATM   42  C   UNL     1       7.720   5.608  -0.224  1.00  0.00           C  
HETATM   43  C   UNL     1       8.757   4.171   1.592  1.00  0.00           C  
HETATM   44  O   UNL     1       3.750   0.089  -1.925  1.00  0.00           O  
HETATM   45  O   UNL     1       1.543  -1.268   1.952  1.00  0.00           O  
HETATM   46  H   UNL     1      -0.548  -2.032  -1.833  1.00  0.00           H  
HETATM   47  H   UNL     1       0.293  -4.786   1.327  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.283  -5.146   2.167  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.888  -6.217   1.889  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.756  -4.861   3.035  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.231  -2.194  -2.461  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.008  -1.337   1.028  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.485   0.299   2.134  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.543   0.789  -1.606  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.988   3.439   0.291  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.129   3.417   1.852  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.333   5.728   0.821  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.655   5.220   1.134  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.975   4.575  -2.364  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.279   4.547  -0.725  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.727   2.250  -1.383  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.397   2.664  -1.849  1.00  0.00           H  
HETATM   63  H   UNL     1       1.590  -5.234  -1.510  1.00  0.00           H  
HETATM   64  H   UNL     1       3.998  -5.071  -1.980  1.00  0.00           H  
HETATM   65  H   UNL     1       5.259  -3.075  -1.293  1.00  0.00           H  
HETATM   66  H   UNL     1       1.988  -0.111   0.300  1.00  0.00           H  
HETATM   67  H   UNL     1       0.455  -1.011   0.215  1.00  0.00           H  
HETATM   68  H   UNL     1       4.281  -0.359   1.961  1.00  0.00           H  
HETATM   69  H   UNL     1       5.008  -1.950   1.654  1.00  0.00           H  
HETATM   70  H   UNL     1       6.668  -0.126   2.213  1.00  0.00           H  
HETATM   71  H   UNL     1       6.969  -0.948   0.665  1.00  0.00           H  
HETATM   72  H   UNL     1       7.746   1.953   1.635  1.00  0.00           H  
HETATM   73  H   UNL     1       5.998   4.378  -1.433  1.00  0.00           H  
HETATM   74  H   UNL     1       4.519   2.521  -2.062  1.00  0.00           H  
HETATM   75  H   UNL     1       6.996   6.259   0.265  1.00  0.00           H  
HETATM   76  H   UNL     1       8.699   6.086  -0.223  1.00  0.00           H  
HETATM   77  H   UNL     1       7.406   5.424  -1.252  1.00  0.00           H  
HETATM   78  H   UNL     1       9.700   3.794   1.195  1.00  0.00           H  
HETATM   79  H   UNL     1       8.925   5.133   2.075  1.00  0.00           H  
HETATM   80  H   UNL     1       8.361   3.463   2.320  1.00  0.00           H  
HETATM   81  H   UNL     1       1.109  -0.577   2.471  1.00  0.00           H  
CONECT    1    8    8    2    6                                       
CONECT    2    9    1    3    3                                       
CONECT    3    2    2    4   46                                       
CONECT    4    3    5    5   24                                       
CONECT    5    6    4    4   47                                       
CONECT    6    1    7    5                                            
CONECT    7    6   48   49   50                                       
CONECT    8    1    1                                                 
CONECT    9   10    2   51                                            
CONECT   10   11   11   15    9                                       
CONECT   11   12   10   10   52                                       
CONECT   12   13   13   11   53                                       
CONECT   13   16   12   12   14                                       
CONECT   14   13   15   15   54                                       
CONECT   15   14   14   10                                            
CONECT   16   18   17   17   13                                       
CONECT   17   16   16                                                 
CONECT   18   19   23   16                                            
CONECT   19   20   18   55   56                                       
CONECT   20   21   19   57   58                                       
CONECT   21   20   22                                                 
CONECT   22   21   23   59   60                                       
CONECT   23   22   18   61   62                                       
CONECT   24    4   25   25   29                                       
CONECT   25   24   24   26   63                                       
CONECT   26   25   27   27   64                                       
CONECT   27   26   26   28   65                                       
CONECT   28   29   29   27   31                                       
CONECT   29   24   30   28   28                                       
CONECT   30   29   45   66   67                                       
CONECT   31   28   32   34                                            
CONECT   32   31   33   68   69                                       
CONECT   33   32   36   70   71                                       
CONECT   34   31   44   44   35                                       
CONECT   35   34   36   36   40                                       
CONECT   36   33   35   35   37                                       
CONECT   37   36   38   38   72                                       
CONECT   38   37   37   39   41                                       
CONECT   39   40   40   38   73                                       
CONECT   40   35   39   39   74                                       
CONECT   41   38   42   43                                            
CONECT   42   41   75   76   77                                       
CONECT   43   41   78   79   80                                       
CONECT   44   34   34                                                 
CONECT   45   30   81                                                 
CONECT   46    3                                                      
CONECT   47    5                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51    9                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   14                                                      
CONECT   55   19                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   20                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   23                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   30                                                      
CONECT   67   30                                                      
CONECT   68   32                                                      
CONECT   69   32                                                      
CONECT   70   33                                                      
CONECT   71   33                                                      
CONECT   72   37                                                      
CONECT   73   39                                                      
CONECT   74   40                                                      
CONECT   75   42                                                      
CONECT   76   42                                                      
CONECT   77   42                                                      
CONECT   78   43                                                      
CONECT   79   43                                                      
CONECT   80   43                                                      
CONECT   81   45                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
