COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.233  -0.769   6.726  1.00  0.00           C  
HETATM    2  C   UNL     1       2.333  -0.139   7.287  1.00  0.00           C  
HETATM    3  C   UNL     1       3.197   0.596   6.503  1.00  0.00           C  
HETATM    4  C   UNL     1       2.975   0.718   5.134  1.00  0.00           C  
HETATM    5  O   UNL     1       3.827   1.443   4.367  1.00  0.00           O  
HETATM    6  C   UNL     1       1.868   0.093   4.555  1.00  0.00           C  
HETATM    7  C   UNL     1       1.615   0.203   3.106  1.00  0.00           C  
HETATM    8  O   UNL     1       2.478   0.627   2.360  1.00  0.00           O  
HETATM    9  C   UNL     1       0.301  -0.200   2.573  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.085   0.151   1.283  1.00  0.00           C  
HETATM   11  O   UNL     1       0.755   0.874   0.502  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.338  -0.234   0.787  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.688   0.192  -0.615  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.547   0.017  -1.458  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.847  -0.639  -1.159  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.984  -0.613  -0.130  1.00  0.00           C  
HETATM   17  O   UNL     1      -5.160  -1.193  -0.697  1.00  0.00           O  
HETATM   18  C   UNL     1      -4.266   0.809   0.279  1.00  0.00           C  
HETATM   19  O   UNL     1      -3.749   1.266   1.270  1.00  0.00           O  
HETATM   20  C   UNL     1      -5.192   1.662  -0.548  1.00  0.00           C  
HETATM   21  O   UNL     1      -5.298   2.960   0.040  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.547  -1.422   1.088  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.192  -0.969   1.569  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.818  -1.332   2.870  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.668  -2.057   3.638  1.00  0.00           O  
HETATM   26  C   UNL     1      -0.578  -0.952   3.379  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.176  -1.326   4.747  1.00  0.00           C  
HETATM   28  O   UNL     1      -0.797  -2.171   5.363  1.00  0.00           O  
HETATM   29  C   UNL     1       0.993  -0.661   5.361  1.00  0.00           C  
HETATM   30  C   UNL     1       4.838   1.951   5.240  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.371   1.240  -2.175  1.00  0.00           C  
HETATM   32  C   UNL     1       1.006   1.247  -2.841  1.00  0.00           C  
HETATM   33  C   UNL     1       1.109   0.045  -3.787  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.081   0.077  -4.751  1.00  0.00           C  
HETATM   35  O   UNL     1       0.024   1.219  -5.604  1.00  0.00           O  
HETATM   36  C   UNL     1      -1.377   0.159  -3.941  1.00  0.00           C  
HETATM   37  O   UNL     1      -1.387   1.357  -3.169  1.00  0.00           O  
HETATM   38  C   UNL     1      -2.574   0.159  -4.894  1.00  0.00           C  
HETATM   39  N   UNL     1       2.364   0.122  -4.546  1.00  0.00           N  
HETATM   40  C   UNL     1       2.679  -1.245  -4.981  1.00  0.00           C  
HETATM   41  C   UNL     1       4.063  -1.269  -5.630  1.00  0.00           C  
HETATM   42  O   UNL     1       5.052  -0.900  -4.670  1.00  0.00           O  
HETATM   43  C   UNL     1       4.777   0.443  -4.276  1.00  0.00           C  
HETATM   44  C   UNL     1       3.411   0.511  -3.592  1.00  0.00           C  
HETATM   45  C   UNL     1       1.671  -1.692  -5.957  1.00  0.00           C  
HETATM   46  N   UNL     1       0.894  -2.038  -6.710  1.00  0.00           N  
HETATM   47  H   UNL     1       0.564  -1.344   7.348  1.00  0.00           H  
HETATM   48  H   UNL     1       2.515  -0.226   8.348  1.00  0.00           H  
HETATM   49  H   UNL     1       4.050   1.081   6.954  1.00  0.00           H  
HETATM   50  H   UNL     1       0.612   1.804   0.724  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.972   1.244  -0.610  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.519  -1.667  -1.317  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.194  -0.215  -2.101  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.841  -1.171  -0.011  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.796   1.753  -1.559  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.178   1.198  -0.584  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.898   3.472  -0.518  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.498  -2.478   0.819  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.275  -1.289   1.887  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.216  -1.424   4.122  1.00  0.00           H  
HETATM   61  H   UNL     1       5.549   2.544   4.666  1.00  0.00           H  
HETATM   62  H   UNL     1       4.377   2.577   6.004  1.00  0.00           H  
HETATM   63  H   UNL     1       5.358   1.120   5.716  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.443   2.079  -1.483  1.00  0.00           H  
HETATM   65  H   UNL     1       1.133   2.169  -3.407  1.00  0.00           H  
HETATM   66  H   UNL     1       1.780   1.176  -2.077  1.00  0.00           H  
HETATM   67  H   UNL     1       1.087  -0.878  -3.209  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.086  -0.829  -5.356  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.742   1.200  -6.193  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.443  -0.701  -3.276  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.497   0.218  -4.318  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.507   1.019  -5.562  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.570  -0.758  -5.482  1.00  0.00           H  
HETATM   74  H   UNL     1       2.670  -1.911  -4.119  1.00  0.00           H  
HETATM   75  H   UNL     1       4.086  -0.565  -6.462  1.00  0.00           H  
HETATM   76  H   UNL     1       4.273  -2.273  -6.000  1.00  0.00           H  
HETATM   77  H   UNL     1       4.774   1.085  -5.157  1.00  0.00           H  
HETATM   78  H   UNL     1       5.547   0.783  -3.583  1.00  0.00           H  
HETATM   79  H   UNL     1       3.228   1.529  -3.248  1.00  0.00           H  
HETATM   80  H   UNL     1       3.397  -0.167  -2.740  1.00  0.00           H  
CONECT    1    2    2   29   47                                       
CONECT    2    1    1    3   48                                       
CONECT    3    2    4    4   49                                       
CONECT    4    3    3    5    6                                       
CONECT    5    4   30                                                 
CONECT    6    4    7   29   29                                       
CONECT    7    6    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   10   26                                       
CONECT   10    9    9   11   12                                       
CONECT   11   10   50                                                 
CONECT   12   10   13   23   23                                       
CONECT   13   12   14   15   51                                       
CONECT   14   13   31                                                 
CONECT   15   13   16   52   53                                       
CONECT   16   15   17   18   22                                       
CONECT   17   16   54                                                 
CONECT   18   16   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   21   55   56                                       
CONECT   21   20   57                                                 
CONECT   22   16   23   58   59                                       
CONECT   23   12   12   22   24                                       
CONECT   24   23   25   26   26                                       
CONECT   25   24   60                                                 
CONECT   26    9   24   24   27                                       
CONECT   27   26   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29    1    6    6   27                                       
CONECT   30    5   61   62   63                                       
CONECT   31   14   32   37   64                                       
CONECT   32   31   33   65   66                                       
CONECT   33   32   34   39   67                                       
CONECT   34   33   35   36   68                                       
CONECT   35   34   69                                                 
CONECT   36   34   37   38   70                                       
CONECT   37   31   36                                                 
CONECT   38   36   71   72   73                                       
CONECT   39   33   40   44                                            
CONECT   40   39   41   45   74                                       
CONECT   41   40   42   75   76                                       
CONECT   42   41   43                                                 
CONECT   43   42   44   77   78                                       
CONECT   44   39   43   79   80                                       
CONECT   45   40   46   46   46                                       
CONECT   46   45   45   45                                            
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50   11                                                      
CONECT   51   13                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   17                                                      
CONECT   55   20                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   25                                                      
CONECT   61   30                                                      
CONECT   62   30                                                      
CONECT   63   30                                                      
CONECT   64   31                                                      
CONECT   65   32                                                      
CONECT   66   32                                                      
CONECT   67   33                                                      
CONECT   68   34                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
CONECT   71   38                                                      
CONECT   72   38                                                      
CONECT   73   38                                                      
CONECT   74   40                                                      
CONECT   75   41                                                      
CONECT   76   41                                                      
CONECT   77   43                                                      
CONECT   78   43                                                      
CONECT   79   44                                                      
CONECT   80   44                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
