COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.539  -0.680   0.098  1.00  0.00           N  
HETATM    2  C   UNL     1       1.417  -1.683   0.067  1.00  0.00           C  
HETATM    3  N   UNL     1       3.426  -2.669  -0.010  1.00  0.00           N  
HETATM    4  C   UNL     1       2.312   0.878   0.017  1.00  0.00           C  
HETATM    5  C   UNL     1       3.217  -0.146  -0.014  1.00  0.00           C  
HETATM    6  C   UNL     1       2.553  -3.639   0.029  1.00  0.00           C  
HETATM    7  O   UNL     1      -5.972   0.393  -0.846  1.00  0.00           O  
HETATM    8  C   UNL     1      -5.578  -0.627  -0.321  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.425  -1.873  -0.365  1.00  0.00           C  
HETATM   10  N   UNL     1      -4.384  -0.646   0.303  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.555   0.481   0.262  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.118   1.755   0.278  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.323   2.864   0.239  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.935   2.723   0.182  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.818   3.672   0.130  1.00  0.00           C  
HETATM   16  C   UNL     1       0.311   2.950   0.088  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.180   0.321   0.212  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.358   1.440   0.165  1.00  0.00           C  
HETATM   19  N   UNL     1       0.011   1.610   0.108  1.00  0.00           N  
HETATM   20  C   UNL     1       0.944   0.581   0.075  1.00  0.00           C  
HETATM   21  N   UNL     1       4.568   0.117  -0.071  1.00  0.00           N  
HETATM   22  C   UNL     1       5.044   1.502  -0.098  1.00  0.00           C  
HETATM   23  C   UNL     1       6.460   1.773   0.415  1.00  0.00           C  
HETATM   24  C   UNL     1       6.161   1.846  -1.084  1.00  0.00           C  
HETATM   25  N   UNL     1       2.761  -1.439   0.010  1.00  0.00           N  
HETATM   26  C   UNL     1       1.261  -3.083   0.080  1.00  0.00           C  
HETATM   27  C   UNL     1       0.023  -3.802   0.134  1.00  0.00           C  
HETATM   28  N   UNL     1      -0.958  -4.373   0.177  1.00  0.00           N  
HETATM   29  H   UNL     1       2.647   1.904  -0.001  1.00  0.00           H  
HETATM   30  H   UNL     1       2.784  -4.695   0.024  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.348  -1.666  -0.907  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.877  -2.667  -0.871  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.664  -2.186   0.651  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.098  -1.441   0.779  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.192   1.866   0.322  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.766   3.849   0.251  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.891   4.749   0.127  1.00  0.00           H  
HETATM   38  H   UNL     1       1.309   3.361   0.043  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.749  -0.669   0.204  1.00  0.00           H  
HETATM   40  H   UNL     1       5.204  -0.615  -0.093  1.00  0.00           H  
HETATM   41  H   UNL     1       4.286   2.263   0.090  1.00  0.00           H  
HETATM   42  H   UNL     1       6.634   2.712   0.940  1.00  0.00           H  
HETATM   43  H   UNL     1       7.037   0.920   0.773  1.00  0.00           H  
HETATM   44  H   UNL     1       6.543   1.042  -1.714  1.00  0.00           H  
HETATM   45  H   UNL     1       6.140   2.833  -1.546  1.00  0.00           H  
CONECT    1   20   20    2                                            
CONECT    2   25    1   26   26                                       
CONECT    3   25    6    6                                            
CONECT    4    5    5   20   29                                       
CONECT    5   21    4    4   25                                       
CONECT    6    3    3   26   30                                       
CONECT    7    8    8                                                 
CONECT    8   10    9    7    7                                       
CONECT    9    8   31   32   33                                       
CONECT   10   11    8   34                                            
CONECT   11   12   12   17   10                                       
CONECT   12   13   11   11   35                                       
CONECT   13   14   14   12   36                                       
CONECT   14   15   13   13   18                                       
CONECT   15   16   16   14   37                                       
CONECT   16   15   15   19   38                                       
CONECT   17   18   18   11   39                                       
CONECT   18   14   19   17   17                                       
CONECT   19   16   20   18                                            
CONECT   20    4   19    1    1                                       
CONECT   21   22    5   40                                            
CONECT   22   24   23   21   41                                       
CONECT   23   24   22   42   43                                       
CONECT   24   23   22   44   45                                       
CONECT   25    5    3    2                                            
CONECT   26    2    2    6   27                                       
CONECT   27   26   28   28   28                                       
CONECT   28   27   27   27                                            
CONECT   29    4                                                      
CONECT   30    6                                                      
CONECT   31    9                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
