COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -7.077  -0.876  -0.447  1.00  0.00           N  
HETATM    2  CD2 UNL     1       5.002  -1.399   0.624  1.00  0.00           C  
HETATM    3  CE2 UNL     1       4.904  -2.702   1.075  1.00  0.00           C  
HETATM    4  CZ  UNL     1       3.944  -3.546   0.547  1.00  0.00           C  
HETATM    5  CE1 UNL     1       3.083  -3.086  -0.432  1.00  0.00           C  
HETATM    6  CD1 UNL     1       3.181  -1.783  -0.882  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.385   0.894   0.545  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.038   0.192   0.152  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.773   0.266  -0.641  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.423   0.082   0.917  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.867  -0.813  -1.238  1.00  0.00           C  
HETATM   12  O   UNL     1       1.365   1.825   1.781  1.00  0.00           O  
HETATM   13  C   ACE A   0       1.028   1.273   0.752  1.00  0.00           C  
HETATM   14  N   UNL     1       1.944   1.009  -0.201  1.00  0.00           N  
HETATM   15  CA  UNL     1       3.345   1.385   0.004  1.00  0.00           C  
HETATM   16  CB  UNL     1       4.245   0.482  -0.843  1.00  0.00           C  
HETATM   17  CG  UNL     1       4.137  -0.938  -0.351  1.00  0.00           C  
HETATM   18  C   UNL     1       3.547   2.843  -0.413  1.00  0.00           C  
HETATM   19  O   UNL     1       3.323   2.972  -1.819  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.091  -0.083  -0.835  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.651   0.819   1.336  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.334   1.168   1.532  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.458  -0.183  -0.059  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.198  -1.144  -1.393  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.732  -0.284   0.680  1.00  0.00           C  
HETATM   26  HD2 UNL     1       5.752  -0.740   1.036  1.00  0.00           H  
HETATM   27  HE2 UNL     1       5.576  -3.061   1.840  1.00  0.00           H  
HETATM   28  HZ  UNL     1       3.867  -4.563   0.900  1.00  0.00           H  
HETATM   29  HE1 UNL     1       2.334  -3.746  -0.845  1.00  0.00           H  
HETATM   30  HD1 UNL     1       2.509  -1.424  -1.648  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.040   0.054  -1.405  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.148   0.566   1.842  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.152  -1.035  -2.017  1.00  0.00           H  
HETATM   34  H   UNL     1       1.675   0.569  -1.023  1.00  0.00           H  
HETATM   35  HA  UNL     1       3.602   1.269   1.057  1.00  0.00           H  
HETATM   36  HB1 UNL     1       3.930   0.530  -1.885  1.00  0.00           H  
HETATM   37  HB2 UNL     1       5.278   0.819  -0.760  1.00  0.00           H  
HETATM   38  H1  UNL     1       2.844   3.477   0.126  1.00  0.00           H  
HETATM   39  H2  UNL     1       4.567   3.150  -0.178  1.00  0.00           H  
HETATM   40  H   UNL     1       3.435   3.872  -2.154  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.392  -0.569  -1.752  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.385   1.031   2.099  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.035   1.653   2.449  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.523  -1.630  -2.301  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.485  -0.083   1.428  1.00  0.00           H  
CONECT    1   24   25   25                                            
CONECT    2    3    3   17   26                                       
CONECT    3    4    2    2   27                                       
CONECT    4    5    5    3   28                                       
CONECT    5    4    4    6   29                                       
CONECT    6    5   17   17   30                                       
CONECT    7   13    9   22   22                                       
CONECT    8   20   21   21   23                                       
CONECT    9   20   20    7   31                                       
CONECT   10   23   23   25   32                                       
CONECT   11   24   24   23   33                                       
CONECT   12   13   13                                                 
CONECT   13   12   12    7   14                                       
CONECT   14   13   15   34                                            
CONECT   15   14   16   18   35                                       
CONECT   16   17   15   36   37                                       
CONECT   17    6    6    2   16                                       
CONECT   18   15   19   38   39                                       
CONECT   19   18   40                                                 
CONECT   20    9    9    8   41                                       
CONECT   21    8    8   22   42                                       
CONECT   22    7    7   21   43                                       
CONECT   23   11    8   10   10                                       
CONECT   24   11   11    1   44                                       
CONECT   25    1    1   10   45                                       
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   16                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
