COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.374   5.477   0.139  1.00  0.00           C  
HETATM    2  C   UNL     1       2.500   4.327  -0.289  1.00  0.00           C  
HETATM    3  C   UNL     1       1.716   3.673   0.642  1.00  0.00           C  
HETATM    4  C   UNL     1       2.478   3.931  -1.614  1.00  0.00           C  
HETATM    5  C   UNL     1       1.677   2.877  -2.011  1.00  0.00           C  
HETATM    6  C   UNL     1       0.894   2.215  -1.084  1.00  0.00           C  
HETATM    7  C   UNL     1       0.910   2.613   0.246  1.00  0.00           C  
HETATM    8  N   UNL     1       0.120   1.946   1.186  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.753   0.950   0.776  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.122   1.187   0.700  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.962   0.164   0.285  1.00  0.00           C  
HETATM   12  N   UNL     1      -4.331   0.394   0.206  1.00  0.00           N  
HETATM   13  C   UNL     1      -5.168  -0.619  -0.096  1.00  0.00           C  
HETATM   14  O   UNL     1      -4.720  -1.710  -0.391  1.00  0.00           O  
HETATM   15  N   UNL     1      -6.501  -0.421  -0.072  1.00  0.00           N  
HETATM   16  C   UNL     1      -7.411  -1.522  -0.400  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.858  -1.036  -0.298  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.481  -1.030  -0.040  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.195  -1.302   0.016  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.277  -0.330   0.418  1.00  0.00           C  
HETATM   21  C   UNL     1       1.162  -0.635   0.473  1.00  0.00           C  
HETATM   22  O   UNL     1       1.941   0.184   0.922  1.00  0.00           O  
HETATM   23  N   UNL     1       1.616  -1.822   0.024  1.00  0.00           N  
HETATM   24  C   UNL     1       2.964  -2.161   0.183  1.00  0.00           C  
HETATM   25  C   UNL     1       3.613  -2.909  -0.790  1.00  0.00           C  
HETATM   26  C   UNL     1       4.944  -3.241  -0.630  1.00  0.00           C  
HETATM   27  C   UNL     1       5.649  -4.052  -1.686  1.00  0.00           C  
HETATM   28  C   UNL     1       5.630  -2.829   0.498  1.00  0.00           C  
HETATM   29  C   UNL     1       4.987  -2.084   1.468  1.00  0.00           C  
HETATM   30  C   UNL     1       3.657  -1.744   1.312  1.00  0.00           C  
HETATM   31  H   UNL     1       4.355   5.100   0.430  1.00  0.00           H  
HETATM   32  H   UNL     1       3.485   6.177  -0.689  1.00  0.00           H  
HETATM   33  H   UNL     1       2.915   5.987   0.987  1.00  0.00           H  
HETATM   34  H   UNL     1       1.731   3.985   1.676  1.00  0.00           H  
HETATM   35  H   UNL     1       3.088   4.447  -2.340  1.00  0.00           H  
HETATM   36  H   UNL     1       1.662   2.570  -3.046  1.00  0.00           H  
HETATM   37  H   UNL     1       0.268   1.392  -1.395  1.00  0.00           H  
HETATM   38  H   UNL     1       0.182   2.179   2.125  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.525   2.154   0.961  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.684   1.282   0.370  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.858   0.449   0.164  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.214  -1.865  -1.416  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.253  -2.344   0.298  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.534  -1.854  -0.542  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.054  -0.693   0.718  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.015  -0.213  -0.996  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.845  -2.286  -0.257  1.00  0.00           H  
HETATM   48  H   UNL     1       1.008  -2.442  -0.408  1.00  0.00           H  
HETATM   49  H   UNL     1       3.078  -3.231  -1.671  1.00  0.00           H  
HETATM   50  H   UNL     1       6.093  -3.382  -2.423  1.00  0.00           H  
HETATM   51  H   UNL     1       6.432  -4.651  -1.222  1.00  0.00           H  
HETATM   52  H   UNL     1       4.933  -4.710  -2.178  1.00  0.00           H  
HETATM   53  H   UNL     1       6.671  -3.090   0.620  1.00  0.00           H  
HETATM   54  H   UNL     1       5.526  -1.764   2.348  1.00  0.00           H  
HETATM   55  H   UNL     1       3.156  -1.159   2.069  1.00  0.00           H  
CONECT    1    2   31   32   33                                       
CONECT    2    4    1    3    3                                       
CONECT    3    2    2    7   34                                       
CONECT    4    5    5    2   35                                       
CONECT    5    4    4    6   36                                       
CONECT    6    5    7    7   37                                       
CONECT    7    6    6    3    8                                       
CONECT    8    7    9   38                                            
CONECT    9   10    8   20   20                                       
CONECT   10   11   11    9   39                                       
CONECT   11   12   10   10   18                                       
CONECT   12   13   11   40                                            
CONECT   13   15   14   14   12                                       
CONECT   14   13   13                                                 
CONECT   15   16   13   41                                            
CONECT   16   17   15   42   43                                       
CONECT   17   16   44   45   46                                       
CONECT   18   11   19   19                                            
CONECT   19   18   18   20   47                                       
CONECT   20    9    9   19   21                                       
CONECT   21   20   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   24   48                                            
CONECT   24   23   30   30   25                                       
CONECT   25   24   26   26   49                                       
CONECT   26   25   25   28   27                                       
CONECT   27   26   50   51   52                                       
CONECT   28   29   29   26   53                                       
CONECT   29   30   28   28   54                                       
CONECT   30   24   24   29   55                                       
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    8                                                      
CONECT   39   10                                                      
CONECT   40   12                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   19                                                      
CONECT   48   23                                                      
CONECT   49   25                                                      
CONECT   50   27                                                      
CONECT   51   27                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
CONECT   55   30                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
