COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.698   0.020   0.022  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.441   1.416   0.043  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.514   2.295   0.273  1.00  0.00           C  
HETATM    4  N   UNL     1      -4.715   1.786   0.460  1.00  0.00           N  
HETATM    5  N   UNL     1      -3.954  -0.400   0.223  1.00  0.00           N  
HETATM    6  C   UNL     1       0.314  -2.093  -1.866  1.00  0.00           C  
HETATM    7  C   UNL     1       0.842  -3.524  -1.596  1.00  0.00           C  
HETATM    8  C   UNL     1       0.411  -3.744  -0.122  1.00  0.00           C  
HETATM    9  N   UNL     1       1.292  -4.718   0.536  1.00  0.00           N  
HETATM   10  C   UNL     1       0.583  -2.343   0.503  1.00  0.00           C  
HETATM   11  N   UNL     1       0.532  -1.364  -0.598  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.465  -0.431  -0.386  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.702  -0.842  -0.188  1.00  0.00           N  
HETATM   14  C   UNL     1      -4.922   0.471   0.434  1.00  0.00           C  
HETATM   15  N   UNL     1      -6.205  -0.002   0.637  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.133   1.882  -0.163  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.136   0.943  -0.382  1.00  0.00           C  
HETATM   18  C   UNL     1       1.262   1.377  -0.606  1.00  0.00           C  
HETATM   19  C   UNL     1       2.268   1.067   0.341  1.00  0.00           C  
HETATM   20  C   UNL     1       1.972   0.347   1.507  1.00  0.00           C  
HETATM   21  C   UNL     1       2.966   0.067   2.397  1.00  0.00           C  
HETATM   22  C   UNL     1       4.273   0.485   2.165  1.00  0.00           C  
HETATM   23  C   UNL     1       4.596   1.186   1.043  1.00  0.00           C  
HETATM   24  C   UNL     1       3.597   1.493   0.104  1.00  0.00           C  
HETATM   25  C   UNL     1       3.895   2.215  -1.066  1.00  0.00           C  
HETATM   26  C   UNL     1       2.909   2.499  -1.962  1.00  0.00           C  
HETATM   27  C   UNL     1       1.600   2.084  -1.747  1.00  0.00           C  
HETATM   28  H   UNL     1      -3.357   3.363   0.296  1.00  0.00           H  
HETATM   29  H   UNL     1       0.878  -1.626  -2.674  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.748  -2.119  -2.111  1.00  0.00           H  
HETATM   31  H   UNL     1       0.363  -4.248  -2.255  1.00  0.00           H  
HETATM   32  H   UNL     1       1.926  -3.565  -1.696  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.628  -4.068  -0.068  1.00  0.00           H  
HETATM   34  H   UNL     1       1.243  -5.616   0.079  1.00  0.00           H  
HETATM   35  H   UNL     1       2.242  -4.381   0.571  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.226  -2.151   1.208  1.00  0.00           H  
HETATM   37  H   UNL     1       1.543  -2.281   1.014  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.932   0.621   0.795  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.378  -0.956   0.623  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.910   2.939  -0.153  1.00  0.00           H  
HETATM   41  H   UNL     1       0.962   0.017   1.699  1.00  0.00           H  
HETATM   42  H   UNL     1       2.735  -0.488   3.294  1.00  0.00           H  
HETATM   43  H   UNL     1       5.043   0.251   2.886  1.00  0.00           H  
HETATM   44  H   UNL     1       5.615   1.505   0.877  1.00  0.00           H  
HETATM   45  H   UNL     1       4.906   2.544  -1.254  1.00  0.00           H  
HETATM   46  H   UNL     1       3.150   3.054  -2.856  1.00  0.00           H  
HETATM   47  H   UNL     1       0.837   2.323  -2.473  1.00  0.00           H  
CONECT    1   13   13    2    5                                       
CONECT    2   16   16    1    3                                       
CONECT    3    2    4    4   28                                       
CONECT    4    3    3   14                                            
CONECT    5    1   14   14                                            
CONECT    6    7   11   29   30                                       
CONECT    7    6    8   31   32                                       
CONECT    8    7    9   10   33                                       
CONECT    9    8   34   35                                            
CONECT   10    8   11   36   37                                       
CONECT   11    6   10   12                                            
CONECT   12   11   17   17   13                                       
CONECT   13   12    1    1                                            
CONECT   14    5    5    4   15                                       
CONECT   15   14   38   39                                            
CONECT   16   17    2    2   40                                       
CONECT   17   18   12   12   16                                       
CONECT   18   27   27   19   17                                       
CONECT   19   24   18   20   20                                       
CONECT   20   19   19   21   41                                       
CONECT   21   22   22   20   42                                       
CONECT   22   23   21   21   43                                       
CONECT   23   24   24   22   44                                       
CONECT   24   25   23   23   19                                       
CONECT   25   26   26   24   45                                       
CONECT   26   25   25   27   46                                       
CONECT   27   26   18   18   47                                       
CONECT   28    3                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
