COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      -7.563  -0.132  -0.435  1.00  0.00          Cl  
HETATM    2  N   UNL     1      -0.378   3.222  -0.461  1.00  0.00           N  
HETATM    3  C   UNL     1       5.870   1.046   0.581  1.00  0.00           C  
HETATM    4  C   UNL     1       4.707   1.783   0.493  1.00  0.00           C  
HETATM    5  C   UNL     1       3.528   1.172   0.065  1.00  0.00           C  
HETATM    6  C   UNL     1       2.277   1.957  -0.032  1.00  0.00           C  
HETATM    7  C   UNL     1       1.031   1.315   0.095  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.209   1.895  -0.103  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.211   1.067   0.082  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.576   0.031  -0.565  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.913   0.266  -0.816  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.883  -0.431  -0.117  1.00  0.00           C  
HETATM   13  C   UNL     1       5.868  -0.297   0.247  1.00  0.00           C  
HETATM   14  C   UNL     1       4.701  -0.910  -0.173  1.00  0.00           C  
HETATM   15  C   UNL     1       3.533  -0.182  -0.271  1.00  0.00           C  
HETATM   16  O   UNL     1       2.326   3.161  -0.223  1.00  0.00           O  
HETATM   17  S   UNL     1       0.771  -0.373   0.526  1.00  0.00           S  
HETATM   18  C   UNL     1      -0.920  -0.157   0.417  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.851  -1.146   0.647  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.204  -0.906   0.390  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.180  -1.605   1.091  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.516  -1.365   0.836  1.00  0.00           C  
HETATM   23  O   UNL     1       5.741  -2.988  -0.454  1.00  0.00           O  
HETATM   24  N   UNL     1       4.708  -2.346  -0.530  1.00  0.00           N1+
HETATM   25  O   UNL     1       3.681  -2.887  -0.899  1.00  0.00           O1-
HETATM   26  H   UNL     1       0.396   3.794  -0.585  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.271   3.580  -0.591  1.00  0.00           H  
HETATM   28  H   UNL     1       6.784   1.518   0.908  1.00  0.00           H  
HETATM   29  H   UNL     1       4.710   2.831   0.755  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.819   0.572  -1.114  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.203   0.995  -1.559  1.00  0.00           H  
HETATM   32  H   UNL     1       6.782  -0.869   0.313  1.00  0.00           H  
HETATM   33  H   UNL     1       2.623  -0.661  -0.602  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.567  -2.010   0.987  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.893  -2.334   1.834  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.274  -1.908   1.380  1.00  0.00           H  
CONECT    1   12                                                      
CONECT    2    8   26   27                                            
CONECT    3   13    4    4   28                                       
CONECT    4    3    3    5   29                                       
CONECT    5    4   15   15    6                                       
CONECT    6    5    7   16   16                                       
CONECT    7    6   17    8    8                                       
CONECT    8    2    7    7    9                                       
CONECT    9    8   18   18                                            
CONECT   10   20   20   11   30                                       
CONECT   11   10   12   12   31                                       
CONECT   12   11   11    1   22                                       
CONECT   13    3   14   14   32                                       
CONECT   14   13   13   24   15                                       
CONECT   15    5    5   14   33                                       
CONECT   16    6    6                                                 
CONECT   17    7   18                                                 
CONECT   18    9    9   17   19                                       
CONECT   19   18   20   34                                            
CONECT   20   10   10   19   21                                       
CONECT   21   20   22   22   35                                       
CONECT   22   12   21   21   36                                       
CONECT   23   24   24                                                 
CONECT   24   14   23   23   25                                       
CONECT   25   24                                                      
CONECT   26    2                                                      
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   13                                                      
CONECT   33   15                                                      
CONECT   34   19                                                      
CONECT   35   21                                                      
CONECT   36   22                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
