COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.752   0.336  -0.210  1.00  0.00           C  
HETATM    2  C   UNL     1       4.471  -0.936   0.309  1.00  0.00           C  
HETATM    3 CL   UNL     1       5.769  -2.049   0.610  1.00  0.00          Cl  
HETATM    4  C   UNL     1       3.177  -1.305   0.592  1.00  0.00           C  
HETATM    5  C   UNL     1       2.129  -0.419   0.353  1.00  0.00           C  
HETATM    6  C   UNL     1       2.404   0.860  -0.173  1.00  0.00           C  
HETATM    7  C   UNL     1       3.717   1.233  -0.453  1.00  0.00           C  
HETATM    8  C   UNL     1       6.148   0.722  -0.504  1.00  0.00           C  
HETATM    9  N   UNL     1       6.886  -0.024  -1.326  1.00  0.00           N  
HETATM   10  N   UNL     1       6.668   1.815   0.052  1.00  0.00           N1+
HETATM   11  N   UNL     1       0.768  -0.508   0.528  1.00  0.00           N  
HETATM   12  C   UNL     1       1.112   1.535  -0.303  1.00  0.00           C  
HETATM   13  C   UNL     1       0.168   0.666   0.132  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.285   0.937   0.177  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.752   2.192   0.573  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.108   2.442   0.613  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.011   1.453   0.262  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.561   0.204  -0.134  1.00  0.00           C  
HETATM   19  O   UNL     1      -4.453  -0.763  -0.478  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.197  -0.060  -0.184  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.752  -1.284  -0.572  1.00  0.00           O1-
HETATM   22  C   UNL     1      -6.717  -0.960  -1.345  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.747  -0.156  -0.462  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.326  -0.183   0.967  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.838  -0.445   0.759  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.852  -1.447  -0.422  1.00  0.00           C  
HETATM   27  H   UNL     1       2.972  -2.286   0.995  1.00  0.00           H  
HETATM   28  H   UNL     1       3.930   2.212  -0.856  1.00  0.00           H  
HETATM   29  H   UNL     1       6.531  -0.856  -1.675  1.00  0.00           H  
HETATM   30  H   UNL     1       7.777   0.266  -1.574  1.00  0.00           H  
HETATM   31  H   UNL     1       7.584   2.068  -0.141  1.00  0.00           H  
HETATM   32  H   UNL     1       6.129   2.360   0.647  1.00  0.00           H  
HETATM   33  H   UNL     1       0.300  -1.283   0.878  1.00  0.00           H  
HETATM   34  H   UNL     1       0.944   2.535  -0.675  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.052   2.966   0.849  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.467   3.413   0.921  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.071   1.657   0.296  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.123  -0.322  -2.131  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.201  -1.813  -1.786  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.680   0.872  -0.820  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.875  -0.989   1.546  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.169   0.776   1.460  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.356   0.476   0.490  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.279  -0.892   1.650  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.809  -1.411  -0.942  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.648  -2.458  -0.067  1.00  0.00           H  
CONECT    1    2    2    7    8                                       
CONECT    2    1    1    3    4                                       
CONECT    3    2                                                      
CONECT    4    2    5    5   27                                       
CONECT    5    4    4    6   11                                       
CONECT    6    5    7    7   12                                       
CONECT    7    1    6    6   28                                       
CONECT    8    1    9   10   10                                       
CONECT    9    8   29   30                                            
CONECT   10    8    8   31   32                                       
CONECT   11    5   13   33                                            
CONECT   12    6   13   13   34                                       
CONECT   13   11   12   12   14                                       
CONECT   14   13   15   15   20                                       
CONECT   15   14   14   16   35                                       
CONECT   16   15   17   17   36                                       
CONECT   17   16   16   18   37                                       
CONECT   18   17   19   20   20                                       
CONECT   19   18   23                                                 
CONECT   20   14   18   18   21                                       
CONECT   21   20                                                      
CONECT   22   23   26   38   39                                       
CONECT   23   19   22   24   40                                       
CONECT   24   23   25   41   42                                       
CONECT   25   24   26   43   44                                       
CONECT   26   22   25   45   46                                       
CONECT   27    4                                                      
CONECT   28    7                                                      
CONECT   29    9                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   22                                                      
CONECT   39   22                                                      
CONECT   40   23                                                      
CONECT   41   24                                                      
CONECT   42   24                                                      
CONECT   43   25                                                      
CONECT   44   25                                                      
CONECT   45   26                                                      
CONECT   46   26                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
