COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.619   1.359  -0.661  1.00  0.00           C  
HETATM    2  O   UNL     1       7.998   0.304   0.076  1.00  0.00           O  
HETATM    3  C   UNL     1       6.639   0.303   0.127  1.00  0.00           C  
HETATM    4  C   UNL     1       5.972  -0.692   0.826  1.00  0.00           C  
HETATM    5  C   UNL     1       4.592  -0.693   0.879  1.00  0.00           C  
HETATM    6  C   UNL     1       3.872   0.303   0.232  1.00  0.00           C  
HETATM    7  C   UNL     1       4.540   1.299  -0.467  1.00  0.00           C  
HETATM    8  C   UNL     1       5.921   1.302  -0.514  1.00  0.00           C  
HETATM    9  N   UNL     1       2.474   0.299   0.281  1.00  0.00           N  
HETATM   10  C   UNL     1       1.977  -0.838   1.069  1.00  0.00           C  
HETATM   11  C   UNL     1       0.451  -0.761   1.164  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.123  -0.771  -0.189  1.00  0.00           N  
HETATM   13  C   UNL     1       0.374   0.365  -0.977  1.00  0.00           C  
HETATM   14  C   UNL     1       1.900   0.289  -1.072  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.500  -0.775  -0.141  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.181   0.359  -0.070  1.00  0.00           N  
HETATM   17  C   UNL     1      -3.511   0.369  -0.024  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.210   1.675   0.054  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.602   1.712   0.104  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.240   2.939   0.177  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.465   4.088   0.198  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.086   3.978   0.146  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.505   2.798   0.082  1.00  0.00           N  
HETATM   24  N   UNL     1      -4.234  -0.735  -0.045  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.641  -1.934  -0.116  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.226  -1.993  -0.172  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.378  -3.125  -0.140  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.725  -4.320  -0.212  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.335  -4.376  -0.262  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.587  -3.234  -0.246  1.00  0.00           C  
HETATM   31  H   UNL     1       8.286   1.322  -1.699  1.00  0.00           H  
HETATM   32  H   UNL     1       8.342   2.319  -0.225  1.00  0.00           H  
HETATM   33  H   UNL     1       9.702   1.241  -0.622  1.00  0.00           H  
HETATM   34  H   UNL     1       6.532  -1.467   1.329  1.00  0.00           H  
HETATM   35  H   UNL     1       4.073  -1.469   1.422  1.00  0.00           H  
HETATM   36  H   UNL     1       3.981   2.074  -0.970  1.00  0.00           H  
HETATM   37  H   UNL     1       6.441   2.077  -1.057  1.00  0.00           H  
HETATM   38  H   UNL     1       2.264  -1.770   0.584  1.00  0.00           H  
HETATM   39  H   UNL     1       2.406  -0.801   2.070  1.00  0.00           H  
HETATM   40  H   UNL     1       0.078  -1.619   1.724  1.00  0.00           H  
HETATM   41  H   UNL     1       0.164   0.159   1.674  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.055   0.328  -1.978  1.00  0.00           H  
HETATM   43  H   UNL     1       0.086   1.298  -0.491  1.00  0.00           H  
HETATM   44  H   UNL     1       2.273   1.146  -1.632  1.00  0.00           H  
HETATM   45  H   UNL     1       2.187  -0.631  -1.582  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.175   0.797   0.085  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.318   2.999   0.216  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.932   5.060   0.254  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.479   4.871   0.162  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.457  -3.098  -0.101  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.295  -5.237  -0.231  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.842  -5.335  -0.319  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.510  -3.290  -0.290  1.00  0.00           H  
CONECT    1    2   31   32   33                                       
CONECT    2    3    1                                                 
CONECT    3    8    8    4    2                                       
CONECT    4    5    5    3   34                                       
CONECT    5    6    4    4   35                                       
CONECT    6    9    7    7    5                                       
CONECT    7    6    6    8   36                                       
CONECT    8    7    3    3   37                                       
CONECT    9   14   10    6                                            
CONECT   10   11    9   38   39                                       
CONECT   11   12   10   40   41                                       
CONECT   12   15   13   11                                            
CONECT   13   12   14   42   43                                       
CONECT   14   13    9   44   45                                       
CONECT   15   16   16   26   12                                       
CONECT   16   17   15   15                                            
CONECT   17   18   24   24   16                                       
CONECT   18   23   23   19   17                                       
CONECT   19   20   20   18   46                                       
CONECT   20   21   19   19   47                                       
CONECT   21   22   22   20   48                                       
CONECT   22   21   21   23   49                                       
CONECT   23   22   18   18                                            
CONECT   24   17   17   25                                            
CONECT   25   24   27   27   26                                       
CONECT   26   25   15   30   30                                       
CONECT   27   25   25   28   50                                       
CONECT   28   27   29   29   51                                       
CONECT   29   28   28   30   52                                       
CONECT   30   26   26   29   53                                       
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   29                                                      
CONECT   53   30                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
