COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.816   2.055  -1.005  1.00  0.00           C  
HETATM    2  O   UNL     1      -4.992  -0.866  -0.184  1.00  0.00           O  
HETATM    3  C   UNL     1       1.495   1.820  -1.139  1.00  0.00           C  
HETATM    4  C   UNL     1       2.267   0.119   0.071  1.00  0.00           C  
HETATM    5  C   UNL     1       3.340   0.954  -0.215  1.00  0.00           C  
HETATM    6  C   UNL     1       4.698   0.661   0.254  1.00  0.00           C  
HETATM    7  C   UNL     1       4.799  -0.457   1.282  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.002  -1.571  -0.219  1.00  0.00           C  
HETATM    9  N   UNL     1      -4.118  -2.914  -0.201  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.940  -3.776  -0.182  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.827  -3.201  -1.057  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.579  -1.762  -0.691  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.316  -1.224  -0.756  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.656  -0.967  -0.287  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.448   0.370   0.049  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.606   1.228   0.490  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.845   2.359  -0.532  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.245   3.577   0.337  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.327   3.430   1.576  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.277   1.909   1.830  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.179   0.902  -0.024  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.111   0.110  -0.415  1.00  0.00           C  
HETATM   23  N   UNL     1       1.173   0.658  -0.485  1.00  0.00           N  
HETATM   24  C   UNL     1       2.411  -1.151   0.870  1.00  0.00           C  
HETATM   25  C   UNL     1       3.875  -1.599   0.846  1.00  0.00           C  
HETATM   26  C   UNL     1       4.055  -2.783   1.798  1.00  0.00           C  
HETATM   27  C   UNL     1       4.246  -2.033  -0.573  1.00  0.00           C  
HETATM   28  O   UNL     1       5.671   1.264  -0.150  1.00  0.00           O  
HETATM   29  C   UNL     1       3.592   3.219  -1.565  1.00  0.00           C  
HETATM   30  H   UNL     1       0.799   2.447  -1.677  1.00  0.00           H  
HETATM   31  H   UNL     1       5.827  -0.816   1.335  1.00  0.00           H  
HETATM   32  H   UNL     1       4.489  -0.086   2.259  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.002  -3.315  -0.201  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.579  -3.866   0.842  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.212  -4.763  -0.554  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.913  -3.775  -0.903  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.121  -3.262  -2.104  1.00  0.00           H  
HETATM   38  H   UNL     1       0.517  -1.835  -1.072  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.504   0.619   0.591  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.931   2.569  -1.088  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.653   2.092  -1.214  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.038   4.510  -0.188  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.294   3.519   0.624  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.330   3.813   1.360  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.758   3.946   2.433  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.016   1.631   2.582  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.280   1.618   2.161  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.013   1.938   0.235  1.00  0.00           H  
HETATM   49  H   UNL     1       2.102  -0.970   1.900  1.00  0.00           H  
HETATM   50  H   UNL     1       1.784  -1.929   0.434  1.00  0.00           H  
HETATM   51  H   UNL     1       3.416  -3.606   1.478  1.00  0.00           H  
HETATM   52  H   UNL     1       5.096  -3.106   1.784  1.00  0.00           H  
HETATM   53  H   UNL     1       3.782  -2.482   2.809  1.00  0.00           H  
HETATM   54  H   UNL     1       4.109  -1.195  -1.257  1.00  0.00           H  
HETATM   55  H   UNL     1       5.288  -2.353  -0.595  1.00  0.00           H  
HETATM   56  H   UNL     1       3.606  -2.860  -0.879  1.00  0.00           H  
HETATM   57  H   UNL     1       3.596   4.034  -0.841  1.00  0.00           H  
HETATM   58  H   UNL     1       4.616   2.908  -1.769  1.00  0.00           H  
HETATM   59  H   UNL     1       3.123   3.556  -2.489  1.00  0.00           H  
CONECT    1    5    3    3   29                                       
CONECT    2    8    8                                                 
CONECT    3   23    1    1   30                                       
CONECT    4   24    5    5   23                                       
CONECT    5    6    4    4    1                                       
CONECT    6    7   28   28    5                                       
CONECT    7   25    6   31   32                                       
CONECT    8    2    2   14    9                                       
CONECT    9    8   10   33                                            
CONECT   10    9   11   34   35                                       
CONECT   11   12   10   36   37                                       
CONECT   12   14   13   13   11                                       
CONECT   13   22   12   12   38                                       
CONECT   14    8   15   15   12                                       
CONECT   15   16   14   14   21                                       
CONECT   16   17   20   15   39                                       
CONECT   17   18   16   40   41                                       
CONECT   18   17   19   42   43                                       
CONECT   19   18   20   44   45                                       
CONECT   20   19   16   46   47                                       
CONECT   21   15   22   22   48                                       
CONECT   22   21   21   23   13                                       
CONECT   23    4   22    3                                            
CONECT   24   25    4   49   50                                       
CONECT   25   27   26   24    7                                       
CONECT   26   25   51   52   53                                       
CONECT   27   25   54   55   56                                       
CONECT   28    6    6                                                 
CONECT   29    1   57   58   59                                       
CONECT   30    3                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   13                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   27                                                      
CONECT   56   27                                                      
CONECT   57   29                                                      
CONECT   58   29                                                      
CONECT   59   29                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
