COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.777   0.255   0.979  1.00  0.00           C  
HETATM    2  C   UNL     1       3.424   0.052   1.121  1.00  0.00           C  
HETATM    3  C   UNL     1       2.594   0.070  -0.005  1.00  0.00           C  
HETATM    4  O   UNL     1       0.346  -0.129  -0.943  1.00  0.00           O  
HETATM    5  C   UNL     1       1.144  -0.147   0.143  1.00  0.00           C  
HETATM    6  O   UNL     1       0.667  -0.341   1.243  1.00  0.00           O  
HETATM    7  C   UNL     1      -1.783   0.781  -0.464  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.158   0.595  -0.248  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.001   1.687   0.030  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.328   1.485   0.235  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.878   0.193   0.174  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.327   0.001   0.402  1.00  0.00           C  
HETATM   13  N   UNL     1      -7.842  -1.195   0.347  1.00  0.00           N  
HETATM   14  N   UNL     1      -8.132   1.086   0.673  1.00  0.00           N  
HETATM   15  C   UNL     1      -5.075  -0.901  -0.097  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.701  -0.713  -0.312  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.856  -1.803  -0.591  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.528  -1.594  -0.795  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.985  -0.307  -0.734  1.00  0.00           C  
HETATM   20  C   UNL     1       3.144   0.295  -1.271  1.00  0.00           C  
HETATM   21  C   UNL     1       4.499   0.497  -1.405  1.00  0.00           C  
HETATM   22  C   UNL     1       5.321   0.478  -0.282  1.00  0.00           C  
HETATM   23  N   UNL     1       6.692   0.684  -0.421  1.00  0.00           N  
HETATM   24  C   UNL     1       7.579  -0.068   0.316  1.00  0.00           C  
HETATM   25  N   UNL     1       8.855   0.193   0.263  1.00  0.00           N  
HETATM   26  N   UNL     1       7.120  -1.093   1.109  1.00  0.00           N  
HETATM   27  H   UNL     1       5.418   0.245   1.849  1.00  0.00           H  
HETATM   28  H   UNL     1       3.002  -0.122   2.100  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.356   1.772  -0.423  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.593   2.686   0.079  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.969   2.328   0.449  1.00  0.00           H  
HETATM   32  H   UNL     1      -8.792  -1.321   0.496  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.748   1.976   0.714  1.00  0.00           H  
HETATM   34  H   UNL     1      -9.082   0.960   0.822  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.502  -1.892  -0.142  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.261  -2.803  -0.641  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.884  -2.435  -1.009  1.00  0.00           H  
HETATM   38  H   UNL     1       2.507   0.309  -2.142  1.00  0.00           H  
HETATM   39  H   UNL     1       4.924   0.670  -2.382  1.00  0.00           H  
HETATM   40  H   UNL     1       7.021   1.356  -1.038  1.00  0.00           H  
HETATM   41  H   UNL     1       9.173   0.961  -0.236  1.00  0.00           H  
HETATM   42  H   UNL     1       6.170  -1.287   1.148  1.00  0.00           H  
HETATM   43  H   UNL     1       7.745  -1.622   1.628  1.00  0.00           H  
CONECT    1    2    2   22   27                                       
CONECT    2    1    1    3   28                                       
CONECT    3    2    5   20   20                                       
CONECT    4    5   19                                                 
CONECT    5    6    6    3    4                                       
CONECT    6    5    5                                                 
CONECT    7    8    8   19   29                                       
CONECT    8    9    7    7   16                                       
CONECT    9   10   10    8   30                                       
CONECT   10    9    9   11   31                                       
CONECT   11   10   12   15   15                                       
CONECT   12   13   13   11   14                                       
CONECT   13   12   12   32                                            
CONECT   14   12   33   34                                            
CONECT   15   11   11   16   35                                       
CONECT   16    8   15   17   17                                       
CONECT   17   16   16   18   36                                       
CONECT   18   19   19   17   37                                       
CONECT   19    7    4   18   18                                       
CONECT   20    3    3   21   38                                       
CONECT   21   22   22   20   39                                       
CONECT   22    1   23   21   21                                       
CONECT   23   24   22   40                                            
CONECT   24   25   25   26   23                                       
CONECT   25   24   24   41                                            
CONECT   26   24   42   43                                            
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    7                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   13                                                      
CONECT   33   14                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   20                                                      
CONECT   39   21                                                      
CONECT   40   23                                                      
CONECT   41   25                                                      
CONECT   42   26                                                      
CONECT   43   26                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
