COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.453   3.475  -0.029  1.00  0.00           C  
HETATM    2  C   UNL     1       4.180   2.027   0.037  1.00  0.00           C  
HETATM    3  C   UNL     1       5.213   1.110  -0.170  1.00  0.00           C  
HETATM    4  C   UNL     1       0.273   0.440   0.208  1.00  0.00           C  
HETATM    5  C   UNL     1       2.637   0.212   0.373  1.00  0.00           C  
HETATM    6  C   UNL     1       5.898   5.352  -0.327  1.00  0.00           C  
HETATM    7  C   UNL     1       2.887   1.571   0.312  1.00  0.00           C  
HETATM    8  C   UNL     1       2.911  -4.820  -3.034  1.00  0.00           C  
HETATM    9  C   UNL     1       3.439  -3.623  -2.240  1.00  0.00           C  
HETATM   10  C   UNL     1       3.981  -4.104  -0.893  1.00  0.00           C  
HETATM   11  C   UNL     1       4.509  -2.908  -0.099  1.00  0.00           C  
HETATM   12  C   UNL     1       5.164  -3.401   1.192  1.00  0.00           C  
HETATM   13  C   UNL     1       5.801  -2.219   1.925  1.00  0.00           C  
HETATM   14  C   UNL     1       3.673  -0.698   0.160  1.00  0.00           C  
HETATM   15  C   UNL     1       4.956  -0.243  -0.108  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.085  -0.103   0.401  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.626  -0.117   0.162  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.091   0.255  -1.090  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.447   0.459  -1.292  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.313   1.017  -2.656  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.339   0.291  -0.242  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.878  -0.080   1.007  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.523  -0.286   1.214  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.047  -0.806   3.475  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.248   0.494   0.002  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.382   1.815  -0.709  1.00  0.00           C  
HETATM   27  N   UNL     1       1.343  -0.250   0.649  1.00  0.00           N  
HETATM   28  N   UNL     1      -1.387  -1.271   0.993  1.00  0.00           N  
HETATM   29  N   UNL     1      -2.664  -1.437   0.993  1.00  0.00           N  
HETATM   30  N   UNL     1      -3.254  -0.330   0.368  1.00  0.00           N  
HETATM   31  O   UNL     1       3.426  -2.032   0.220  1.00  0.00           O  
HETATM   32  O   UNL     1       3.554   4.272   0.152  1.00  0.00           O  
HETATM   33  O   UNL     1       5.701   3.914  -0.283  1.00  0.00           O  
HETATM   34  O   UNL     1       0.426   1.510  -0.350  1.00  0.00           O  
HETATM   35  O   UNL     1      -6.904   0.824  -2.519  1.00  0.00           O  
HETATM   36  O   UNL     1      -5.070  -0.651   2.443  1.00  0.00           O  
HETATM   37  H   UNL     1       6.213   1.460  -0.378  1.00  0.00           H  
HETATM   38  H   UNL     1       5.272   5.781  -1.109  1.00  0.00           H  
HETATM   39  H   UNL     1       5.626   5.786   0.635  1.00  0.00           H  
HETATM   40  H   UNL     1       6.945   5.569  -0.540  1.00  0.00           H  
HETATM   41  H   UNL     1       2.087   2.277   0.477  1.00  0.00           H  
HETATM   42  H   UNL     1       2.524  -4.477  -3.994  1.00  0.00           H  
HETATM   43  H   UNL     1       3.720  -5.531  -3.201  1.00  0.00           H  
HETATM   44  H   UNL     1       2.112  -5.304  -2.473  1.00  0.00           H  
HETATM   45  H   UNL     1       4.238  -3.139  -2.802  1.00  0.00           H  
HETATM   46  H   UNL     1       2.630  -2.912  -2.074  1.00  0.00           H  
HETATM   47  H   UNL     1       3.182  -4.588  -0.332  1.00  0.00           H  
HETATM   48  H   UNL     1       4.790  -4.815  -1.060  1.00  0.00           H  
HETATM   49  H   UNL     1       5.246  -2.371  -0.698  1.00  0.00           H  
HETATM   50  H   UNL     1       4.408  -3.860   1.831  1.00  0.00           H  
HETATM   51  H   UNL     1       5.931  -4.137   0.953  1.00  0.00           H  
HETATM   52  H   UNL     1       5.033  -1.484   2.165  1.00  0.00           H  
HETATM   53  H   UNL     1       6.267  -2.571   2.846  1.00  0.00           H  
HETATM   54  H   UNL     1       6.557  -1.761   1.287  1.00  0.00           H  
HETATM   55  H   UNL     1       5.755  -0.951  -0.273  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.397   0.387  -1.907  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.640   1.804  -1.976  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.543   1.305  -3.681  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.832   0.089  -2.414  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.395   0.450  -0.401  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.574  -0.210   1.822  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.569   0.139   3.624  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.762  -1.575   3.185  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.553  -1.099   4.401  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.427   1.646  -1.785  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.294   2.314  -0.381  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.521   2.442  -0.476  1.00  0.00           H  
HETATM   68  H   UNL     1       1.218  -1.066   1.158  1.00  0.00           H  
CONECT    1    2   32   32   33                                       
CONECT    2    3    3    7    1                                       
CONECT    3   15    2    2   37                                       
CONECT    4   27   16   34   34                                       
CONECT    5   14   27    7    7                                       
CONECT    6   33   38   39   40                                       
CONECT    7    5    5    2   41                                       
CONECT    8    9   42   43   44                                       
CONECT    9   10    8   45   46                                       
CONECT   10   11    9   47   48                                       
CONECT   11   12   10   31   49                                       
CONECT   12   13   11   50   51                                       
CONECT   13   12   52   53   54                                       
CONECT   14   31   15   15    5                                       
CONECT   15   14   14    3   55                                       
CONECT   16   28    4   25   25                                       
CONECT   17   18   30   23   23                                       
CONECT   18   19   19   17   56                                       
CONECT   19   35   18   18   21                                       
CONECT   20   35   57   58   59                                       
CONECT   21   19   22   22   60                                       
CONECT   22   21   21   23   61                                       
CONECT   23   17   17   22   36                                       
CONECT   24   36   62   63   64                                       
CONECT   25   30   16   16   26                                       
CONECT   26   25   65   66   67                                       
CONECT   27    5    4   68                                            
CONECT   28   29   29   16                                            
CONECT   29   28   28   30                                            
CONECT   30   29   17   25                                            
CONECT   31   11   14                                                 
CONECT   32    1    1                                                 
CONECT   33    1    6                                                 
CONECT   34    4    4                                                 
CONECT   35   20   19                                                 
CONECT   36   23   24                                                 
CONECT   37    3                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   15                                                      
CONECT   56   18                                                      
CONECT   57   20                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   24                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
