COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      -7.881   1.023   1.150  1.00  0.00          Cl  
HETATM    2  C   UNL     1      -6.297   0.572   0.602  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.317   0.240   1.521  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.055  -0.119   1.087  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.771  -0.147  -0.271  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.756   0.186  -1.191  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.018   0.539  -0.753  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.489  -0.506  -0.714  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.439  -0.852   0.079  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.410  -1.119  -0.759  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.870  -0.927  -2.000  1.00  0.00           N  
HETATM   12  N   UNL     1      -2.104  -0.570  -1.940  1.00  0.00           N  
HETATM   13  C   UNL     1       0.983  -1.543  -0.370  1.00  0.00           C  
HETATM   14  C   UNL     1       1.339  -2.846  -1.089  1.00  0.00           C  
HETATM   15  O   UNL     1       1.913  -0.524  -0.742  1.00  0.00           O  
HETATM   16  C   UNL     1       3.073  -0.463  -0.041  1.00  0.00           C  
HETATM   17  C   UNL     1       3.999   0.582  -0.256  1.00  0.00           C  
HETATM   18  C   UNL     1       3.756   1.591  -1.199  1.00  0.00           C  
HETATM   19  C   UNL     1       4.673   2.582  -1.378  1.00  0.00           C  
HETATM   20  C   UNL     1       5.851   2.607  -0.635  1.00  0.00           C  
HETATM   21  C   UNL     1       6.119   1.643   0.288  1.00  0.00           C  
HETATM   22  C   UNL     1       5.196   0.605   0.501  1.00  0.00           C  
HETATM   23  N   UNL     1       5.433  -0.355   1.403  1.00  0.00           N1+
HETATM   24  O   UNL     1       6.635  -0.317   2.151  1.00  0.00           O1-
HETATM   25  C   UNL     1       4.579  -1.329   1.612  1.00  0.00           C  
HETATM   26  C   UNL     1       3.381  -1.416   0.910  1.00  0.00           C  
HETATM   27  H   UNL     1      -5.538   0.263   2.578  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.290  -0.377   1.805  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.538   0.165  -2.249  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.784   0.798  -1.468  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.428  -0.904   1.158  1.00  0.00           H  
HETATM   32  H   UNL     1       1.027  -1.699   0.708  1.00  0.00           H  
HETATM   33  H   UNL     1       2.346  -3.153  -0.808  1.00  0.00           H  
HETATM   34  H   UNL     1       0.630  -3.623  -0.805  1.00  0.00           H  
HETATM   35  H   UNL     1       1.295  -2.690  -2.167  1.00  0.00           H  
HETATM   36  H   UNL     1       2.846   1.582  -1.781  1.00  0.00           H  
HETATM   37  H   UNL     1       4.485   3.358  -2.105  1.00  0.00           H  
HETATM   38  H   UNL     1       6.564   3.402  -0.795  1.00  0.00           H  
HETATM   39  H   UNL     1       7.037   1.676   0.856  1.00  0.00           H  
HETATM   40  H   UNL     1       4.812  -2.082   2.350  1.00  0.00           H  
HETATM   41  H   UNL     1       2.696  -2.228   1.107  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    7    7    3    1                                       
CONECT    3    4    4    2   27                                       
CONECT    4    5    3    3   28                                       
CONECT    5    8    6    6    4                                       
CONECT    6    5    5    7   29                                       
CONECT    7    6    2    2   30                                       
CONECT    8    9   12    5                                            
CONECT    9   10   10    8   31                                       
CONECT   10   13   11    9    9                                       
CONECT   11   10   12   12                                            
CONECT   12   11   11    8                                            
CONECT   13   14   15   10   32                                       
CONECT   14   13   33   34   35                                       
CONECT   15   13   16                                                 
CONECT   16   15   26   26   17                                       
CONECT   17   16   18   18   22                                       
CONECT   18   17   17   19   36                                       
CONECT   19   18   20   20   37                                       
CONECT   20   19   19   21   38                                       
CONECT   21   22   22   20   39                                       
CONECT   22   17   23   21   21                                       
CONECT   23   25   25   22   24                                       
CONECT   24   23                                                      
CONECT   25   26   23   23   40                                       
CONECT   26   16   16   25   41                                       
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    9                                                      
CONECT   32   13                                                      
CONECT   33   14                                                      
CONECT   34   14                                                      
CONECT   35   14                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   20                                                      
CONECT   39   21                                                      
CONECT   40   25                                                      
CONECT   41   26                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
