COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.662   0.980  -0.718  1.00  0.00           C  
HETATM    2  O   UNL     1       5.203  -0.373  -0.741  1.00  0.00           O  
HETATM    3  C   UNL     1       4.199  -0.698   0.116  1.00  0.00           C  
HETATM    4  C   UNL     1       3.669   0.263   0.961  1.00  0.00           C  
HETATM    5  C   UNL     1       3.699  -1.997   0.144  1.00  0.00           C  
HETATM    6  O   UNL     1       4.213  -2.943  -0.688  1.00  0.00           O  
HETATM    7  C   UNL     1       3.650  -4.254  -0.605  1.00  0.00           C  
HETATM    8  C   UNL     1       2.677  -2.324   1.019  1.00  0.00           C  
HETATM    9  C   UNL     1       2.155  -1.361   1.864  1.00  0.00           C  
HETATM   10  C   UNL     1       2.648  -0.070   1.833  1.00  0.00           C  
HETATM   11  C   UNL     1       2.072   0.977   2.752  1.00  0.00           C  
HETATM   12  C   UNL     1       0.922   1.668   2.066  1.00  0.00           C  
HETATM   13  N   UNL     1       0.257   2.662   2.740  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.781   3.308   2.161  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.376   4.191   2.751  1.00  0.00           O  
HETATM   16  N   UNL     1       0.606   1.304   0.868  1.00  0.00           N  
HETATM   17  N   UNL     1      -0.451   1.908   0.181  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.167   2.915   0.806  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.129   3.321  -0.084  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.157   4.400   0.142  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.986   2.585  -1.187  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.990   1.744  -1.034  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.526   0.748  -2.065  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.094   1.489  -3.332  1.00  0.00           C  
HETATM   25  C   UNL     1       0.504   0.492  -4.328  1.00  0.00           C  
HETATM   26  O   UNL     1      -1.228   2.128  -3.921  1.00  0.00           O  
HETATM   27  C   UNL     1      -1.670  -0.211  -2.401  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.010  -1.051  -1.168  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.225  -1.931  -1.469  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.559  -2.758  -0.255  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.983  -4.003  -0.087  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.289  -4.763   1.026  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.172  -4.277   1.972  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.748  -3.032   1.805  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.438  -2.270   0.694  1.00  0.00           C  
HETATM   36  H   UNL     1       6.462   1.105  -1.448  1.00  0.00           H  
HETATM   37  H   UNL     1       4.837   1.649  -0.965  1.00  0.00           H  
HETATM   38  H   UNL     1       6.038   1.220   0.276  1.00  0.00           H  
HETATM   39  H   UNL     1       4.052   1.272   0.939  1.00  0.00           H  
HETATM   40  H   UNL     1       4.149  -4.909  -1.319  1.00  0.00           H  
HETATM   41  H   UNL     1       3.787  -4.645   0.403  1.00  0.00           H  
HETATM   42  H   UNL     1       2.586  -4.208  -0.836  1.00  0.00           H  
HETATM   43  H   UNL     1       2.286  -3.331   1.042  1.00  0.00           H  
HETATM   44  H   UNL     1       1.358  -1.617   2.546  1.00  0.00           H  
HETATM   45  H   UNL     1       1.718   0.502   3.667  1.00  0.00           H  
HETATM   46  H   UNL     1       2.842   1.708   2.996  1.00  0.00           H  
HETATM   47  H   UNL     1       0.533   2.902   3.638  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.755   5.358  -0.186  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.057   4.168  -0.427  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.401   4.452   1.203  1.00  0.00           H  
HETATM   51  H   UNL     1       0.318   0.182  -1.670  1.00  0.00           H  
HETATM   52  H   UNL     1       0.655   2.240  -3.076  1.00  0.00           H  
HETATM   53  H   UNL     1       0.907   1.032  -5.185  1.00  0.00           H  
HETATM   54  H   UNL     1       1.302  -0.070  -3.844  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.273  -0.195  -4.664  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.028   2.618  -4.730  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.547   0.362  -2.703  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.367  -0.868  -3.216  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.158  -1.682  -0.913  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.237  -0.392  -0.330  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.076  -1.299  -1.724  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.997  -2.590  -2.307  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.293  -4.383  -0.827  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.840  -5.736   1.157  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.413  -4.871   2.842  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.438  -2.652   2.544  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.885  -1.295   0.565  1.00  0.00           H  
CONECT    1    2   36   37   38                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4    5                                       
CONECT    4    3    3   10   39                                       
CONECT    5    3    6    8    8                                       
CONECT    6    5    7                                                 
CONECT    7    6   40   41   42                                       
CONECT    8    5    5    9   43                                       
CONECT    9   10   10    8   44                                       
CONECT   10    4   11    9    9                                       
CONECT   11   10   12   45   46                                       
CONECT   12   16   16   11   13                                       
CONECT   13   12   14   47                                            
CONECT   14   18   13   15   15                                       
CONECT   15   14   14                                                 
CONECT   16   17   12   12                                            
CONECT   17   22   16   18                                            
CONECT   18   17   19   19   14                                       
CONECT   19   21   18   18   20                                       
CONECT   20   19   48   49   50                                       
CONECT   21   22   22   19                                            
CONECT   22   23   21   21   17                                       
CONECT   23   27   24   22   51                                       
CONECT   24   26   23   25   52                                       
CONECT   25   24   53   54   55                                       
CONECT   26   24   56                                                 
CONECT   27   28   23   57   58                                       
CONECT   28   29   27   59   60                                       
CONECT   29   30   28   61   62                                       
CONECT   30   31   29   35   35                                       
CONECT   31   32   32   30   63                                       
CONECT   32   31   31   33   64                                       
CONECT   33   32   34   34   65                                       
CONECT   34   33   33   35   66                                       
CONECT   35   30   30   34   67                                       
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    4                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   13                                                      
CONECT   48   20                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   25                                                      
CONECT   55   25                                                      
CONECT   56   26                                                      
CONECT   57   27                                                      
CONECT   58   27                                                      
CONECT   59   28                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   29                                                      
CONECT   63   31                                                      
CONECT   64   32                                                      
CONECT   65   33                                                      
CONECT   66   34                                                      
CONECT   67   35                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
