COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.758  -0.780   0.015  1.00  0.00           C  
HETATM    2  C   UNL     1       6.043  -0.265   0.017  1.00  0.00           C  
HETATM    3  O   UNL     1       7.112  -1.105   0.025  1.00  0.00           O  
HETATM    4  C   UNL     1       6.241   1.109   0.010  1.00  0.00           C  
HETATM    5  C   UNL     1       5.158   1.969   0.003  1.00  0.00           C  
HETATM    6  C   UNL     1       3.873   1.467   0.002  1.00  0.00           C  
HETATM    7  C   UNL     1       3.664   0.086   0.008  1.00  0.00           C  
HETATM    8  C   UNL     1       2.289  -0.456   0.005  1.00  0.00           C  
HETATM    9  O   UNL     1       1.148   0.264  -0.002  1.00  0.00           O  
HETATM   10  N   UNL     1       1.955  -1.725   0.005  1.00  0.00           N  
HETATM   11  N   UNL     1       0.672  -1.829   0.003  1.00  0.00           N  
HETATM   12  C   UNL     1       0.137  -0.629  -0.001  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.306  -0.315  -0.004  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.247  -1.348  -0.003  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.594  -1.051  -0.006  1.00  0.00           C  
HETATM   16 CL   UNL     1      -4.764  -2.333  -0.005  1.00  0.00          Cl  
HETATM   17  C   UNL     1      -4.015   0.273  -0.009  1.00  0.00           C  
HETATM   18  O   UNL     1      -5.343   0.562  -0.012  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.082   1.303  -0.010  1.00  0.00           C  
HETATM   20 CL   UNL     1      -3.614   2.956  -0.013  1.00  0.00          Cl  
HETATM   21  C   UNL     1      -1.733   1.014  -0.002  1.00  0.00           C  
HETATM   22  H   UNL     1       4.603  -1.849   0.016  1.00  0.00           H  
HETATM   23  H   UNL     1       7.424  -1.352  -0.857  1.00  0.00           H  
HETATM   24  H   UNL     1       7.245   1.508   0.012  1.00  0.00           H  
HETATM   25  H   UNL     1       5.319   3.037  -0.003  1.00  0.00           H  
HETATM   26  H   UNL     1       3.030   2.141  -0.004  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.920  -2.377  -0.001  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.728   0.648   0.870  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.009   1.815  -0.001  1.00  0.00           H  
CONECT    1    7    7    2   22                                       
CONECT    2    1    3    4    4                                       
CONECT    3    2   23                                                 
CONECT    4    2    2    5   24                                       
CONECT    5    6    6    4   25                                       
CONECT    6    7    5    5   26                                       
CONECT    7    8    1    1    6                                       
CONECT    8    9   10   10    7                                       
CONECT    9   12    8                                                 
CONECT   10   11    8    8                                            
CONECT   11   12   12   10                                            
CONECT   12   13   11   11    9                                       
CONECT   13   14   14   21   12                                       
CONECT   14   15   13   13   27                                       
CONECT   15   16   17   17   14                                       
CONECT   16   15                                                      
CONECT   17   18   15   15   19                                       
CONECT   18   17   28                                                 
CONECT   19   20   17   21   21                                       
CONECT   20   19                                                      
CONECT   21   19   19   13   29                                       
CONECT   22    1                                                      
CONECT   23    3                                                      
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    6                                                      
CONECT   27   14                                                      
CONECT   28   18                                                      
CONECT   29   21                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
