COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.431  -0.280   0.389  1.00  0.00           C  
HETATM    2  C   UNL     1       2.314   0.552   1.032  1.00  0.00           C  
HETATM    3  C   UNL     1       2.739   2.021   1.024  1.00  0.00           C  
HETATM    4  C   UNL     1       1.059  -2.082  -2.657  1.00  0.00           C  
HETATM    5  C   UNL     1       1.249  -1.722  -4.108  1.00  0.00           C  
HETATM    6  N   UNL     1       1.882  -1.566  -1.722  1.00  0.00           N  
HETATM    7  C   UNL     1       3.028  -1.754   0.433  1.00  0.00           C  
HETATM    8  O   UNL     1       0.167  -2.836  -2.331  1.00  0.00           O  
HETATM    9  C   UNL     1       1.697  -1.916  -0.311  1.00  0.00           C  
HETATM   10  O   UNL     1       4.034  -2.545  -0.204  1.00  0.00           O  
HETATM   11  O   UNL     1       4.640  -0.053   1.113  1.00  0.00           O  
HETATM   12  C   UNL     1       5.038   1.322   1.125  1.00  0.00           C  
HETATM   13  C   UNL     1       6.311   1.475   1.960  1.00  0.00           C  
HETATM   14  C   UNL     1       5.309   1.776  -0.287  1.00  0.00           C  
HETATM   15  O   UNL     1       5.794   3.006  -0.515  1.00  0.00           O  
HETATM   16  O   UNL     1       5.089   1.031  -1.213  1.00  0.00           O  
HETATM   17  O   UNL     1       4.003   2.128   1.691  1.00  0.00           O  
HETATM   18  O   UNL     1       1.110   0.359   0.293  1.00  0.00           O  
HETATM   19  C   UNL     1       0.645  -0.994   0.308  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.568  -1.088  -0.441  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.690  -0.468   0.191  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.527   0.267  -0.860  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.750   1.316  -1.442  1.00  0.00           O  
HETATM   24  C   UNL     1      -2.555  -1.539   0.862  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.743  -2.238   1.955  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.507  -3.317   2.499  1.00  0.00           O  
HETATM   27  O   UNL     1      -3.706  -0.924   1.443  1.00  0.00           O  
HETATM   28  C   UNL     1      -4.552  -0.261   0.501  1.00  0.00           C  
HETATM   29  O   UNL     1      -5.680   0.292   1.181  1.00  0.00           O  
HETATM   30  C   UNL     1      -6.545  -0.685   1.764  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.768   0.861  -0.185  1.00  0.00           C  
HETATM   32  N   UNL     1      -4.614   1.503  -1.193  1.00  0.00           N  
HETATM   33  C   UNL     1      -5.459   2.490  -0.834  1.00  0.00           C  
HETATM   34  O   UNL     1      -5.519   2.846   0.324  1.00  0.00           O  
HETATM   35  C   UNL     1      -6.330   3.151  -1.872  1.00  0.00           C  
HETATM   36  H   UNL     1       3.564   0.030  -0.647  1.00  0.00           H  
HETATM   37  H   UNL     1       2.163   0.224   2.061  1.00  0.00           H  
HETATM   38  H   UNL     1       2.835   2.370  -0.004  1.00  0.00           H  
HETATM   39  H   UNL     1       1.995   2.622   1.548  1.00  0.00           H  
HETATM   40  H   UNL     1       1.929  -2.436  -4.574  1.00  0.00           H  
HETATM   41  H   UNL     1       0.286  -1.751  -4.619  1.00  0.00           H  
HETATM   42  H   UNL     1       1.669  -0.719  -4.182  1.00  0.00           H  
HETATM   43  H   UNL     1       2.595  -0.964  -1.983  1.00  0.00           H  
HETATM   44  H   UNL     1       2.910  -2.071   1.469  1.00  0.00           H  
HETATM   45  H   UNL     1       1.362  -2.950  -0.235  1.00  0.00           H  
HETATM   46  H   UNL     1       3.842  -3.493  -0.212  1.00  0.00           H  
HETATM   47  H   UNL     1       7.106   0.870   1.525  1.00  0.00           H  
HETATM   48  H   UNL     1       6.615   2.522   1.969  1.00  0.00           H  
HETATM   49  H   UNL     1       6.118   1.143   2.980  1.00  0.00           H  
HETATM   50  H   UNL     1       5.952   3.252  -1.437  1.00  0.00           H  
HETATM   51  H   UNL     1       0.459  -1.301   1.338  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.341   0.241   0.941  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.835  -0.433  -1.637  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.219   1.825  -2.118  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.869  -2.271   0.119  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.818  -2.626   1.528  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.508  -1.525   2.745  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.053  -3.806   3.198  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.893  -0.976  -0.247  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.376  -0.185   2.260  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.929  -1.341   0.983  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.988  -1.274   2.492  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.462   1.598   0.558  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.566   1.219  -2.119  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.138   2.702  -2.846  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.378   3.013  -1.608  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.102   4.216  -1.911  1.00  0.00           H  
CONECT    1    2   11    7   36                                       
CONECT    2    3   18    1   37                                       
CONECT    3   17    2   38   39                                       
CONECT    4    6    8    8    5                                       
CONECT    5    4   40   41   42                                       
CONECT    6    9    4   43                                            
CONECT    7    1    9   10   44                                       
CONECT    8    4    4                                                 
CONECT    9   19    7    6   45                                       
CONECT   10    7   46                                                 
CONECT   11   12    1                                                 
CONECT   12   13   17   11   14                                       
CONECT   13   12   47   48   49                                       
CONECT   14   12   16   16   15                                       
CONECT   15   14   50                                                 
CONECT   16   14   14                                                 
CONECT   17    3   12                                                 
CONECT   18    2   19                                                 
CONECT   19   18   20    9   51                                       
CONECT   20   21   19                                                 
CONECT   21   22   24   20   52                                       
CONECT   22   31   23   21   53                                       
CONECT   23   22   54                                                 
CONECT   24   27   21   25   55                                       
CONECT   25   26   24   56   57                                       
CONECT   26   25   58                                                 
CONECT   27   28   24                                                 
CONECT   28   29   31   27   59                                       
CONECT   29   30   28                                                 
CONECT   30   29   60   61   62                                       
CONECT   31   28   32   22   63                                       
CONECT   32   33   31   64                                            
CONECT   33   34   34   35   32                                       
CONECT   34   33   33                                                 
CONECT   35   33   65   66   67                                       
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   13                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   15                                                      
CONECT   51   19                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   28                                                      
CONECT   60   30                                                      
CONECT   61   30                                                      
CONECT   62   30                                                      
CONECT   63   31                                                      
CONECT   64   32                                                      
CONECT   65   35                                                      
CONECT   66   35                                                      
CONECT   67   35                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
