COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.289  -0.903   0.912  1.00  0.00           C  
HETATM    2  C   UNL     1       7.338  -0.836  -0.090  1.00  0.00           C  
HETATM    3  N   UNL     1       7.654  -0.391  -1.291  1.00  0.00           N1+
HETATM    4  C   UNL     1       8.877   0.014  -1.581  1.00  0.00           C  
HETATM    5  C   UNL     1       9.877  -0.020  -0.629  1.00  0.00           C  
HETATM    6  C   UNL     1       9.583  -0.487   0.644  1.00  0.00           C  
HETATM    7  C   UNL     1       5.928  -1.286   0.191  1.00  0.00           C  
HETATM    8  C   UNL     1       4.989  -0.079   0.149  1.00  0.00           C  
HETATM    9  N   UNL     1       3.640  -0.495   0.538  1.00  0.00           N  
HETATM   10  C   UNL     1       2.609   0.436   0.575  1.00  0.00           C  
HETATM   11  C   UNL     1       1.254   0.029   0.958  1.00  0.00           C  
HETATM   12  N   UNL     1       0.282   0.969   0.986  1.00  0.00           N  
HETATM   13  C   UNL     1       0.591   2.253   0.648  1.00  0.00           C  
HETATM   14  C   UNL     1       1.852   2.592   0.294  1.00  0.00           C  
HETATM   15  N   UNL     1       2.835   1.694   0.261  1.00  0.00           N  
HETATM   16  O   UNL     1       1.010  -1.129   1.254  1.00  0.00           O  
HETATM   17 CL   UNL     1      -0.648   3.468   0.673  1.00  0.00          Cl  
HETATM   18  C   UNL     1      -1.086   0.611   1.368  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.860   0.204   0.141  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.151  -0.169   0.251  1.00  0.00           N  
HETATM   21  O   UNL     1      -1.322   0.213  -0.946  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.903  -0.564  -0.943  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.311  -0.932  -0.550  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.664  -2.260  -0.410  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.956  -2.599  -0.049  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.897  -1.609   0.173  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.251   0.063  -0.322  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.548  -0.280   0.035  1.00  0.00           C  
HETATM   29  F   UNL     1       5.534  -2.217  -0.777  1.00  0.00           F  
HETATM   30  F   UNL     1       5.870  -1.878   1.457  1.00  0.00           F  
HETATM   31 CL   UNL     1      -7.398  -4.269   0.126  1.00  0.00          Cl  
HETATM   32  O   UNL     1       6.655  -0.341  -2.293  1.00  0.00           O1-
HETATM   33  N   UNL     1      -5.715   3.525  -0.166  1.00  0.00           N  
HETATM   34  N   UNL     1      -5.008   3.242  -1.200  1.00  0.00           N  
HETATM   35  N   UNL     1      -5.059   1.977  -1.443  1.00  0.00           N  
HETATM   36  N   UNL     1      -5.894   1.412  -0.462  1.00  0.00           N  
HETATM   37  C   UNL     1      -6.274   2.447   0.318  1.00  0.00           C  
HETATM   38  H   UNL     1       8.025  -1.273   1.892  1.00  0.00           H  
HETATM   39  H   UNL     1       9.097   0.377  -2.574  1.00  0.00           H  
HETATM   40  H   UNL     1      10.875   0.313  -0.872  1.00  0.00           H  
HETATM   41  H   UNL     1      10.346  -0.525   1.408  1.00  0.00           H  
HETATM   42  H   UNL     1       5.348   0.684   0.839  1.00  0.00           H  
HETATM   43  H   UNL     1       4.966   0.329  -0.862  1.00  0.00           H  
HETATM   44  H   UNL     1       3.466  -1.420   0.771  1.00  0.00           H  
HETATM   45  H   UNL     1       2.067   3.618   0.031  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.061  -0.220   2.073  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.569   1.469   1.835  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.581  -0.176   1.120  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.929   0.267  -1.648  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.420  -1.422  -1.409  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.932  -3.035  -0.584  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.905  -1.876   0.455  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.283   0.493   0.209  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.920   2.393   1.182  1.00  0.00           H  
CONECT    1    2    6    6   38                                       
CONECT    2    1    3    3    7                                       
CONECT    3    2    2    4   32                                       
CONECT    4    3    5    5   39                                       
CONECT    5    4    4    6   40                                       
CONECT    6    1    1    5   41                                       
CONECT    7    2    8   29   30                                       
CONECT    8    7    9   42   43                                       
CONECT    9    8   10   44                                            
CONECT   10    9   11   15   15                                       
CONECT   11   10   12   16   16                                       
CONECT   12   11   13   18                                            
CONECT   13   12   14   14   17                                       
CONECT   14   13   13   15   45                                       
CONECT   15   10   10   14                                            
CONECT   16   11   11                                                 
CONECT   17   13                                                      
CONECT   18   12   19   46   47                                       
CONECT   19   18   20   21   21                                       
CONECT   20   19   22   48                                            
CONECT   21   19   19                                                 
CONECT   22   20   23   49   50                                       
CONECT   23   22   24   24   27                                       
CONECT   24   23   23   25   51                                       
CONECT   25   24   26   26   31                                       
CONECT   26   25   25   28   52                                       
CONECT   27   23   28   28   36                                       
CONECT   28   26   27   27   53                                       
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31   25                                                      
CONECT   32    3                                                      
CONECT   33   34   37   37                                            
CONECT   34   33   35   35                                            
CONECT   35   34   34   36                                            
CONECT   36   27   35   37                                            
CONECT   37   33   33   36   54                                       
CONECT   38    1                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   14                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   20                                                      
CONECT   49   22                                                      
CONECT   50   22                                                      
CONECT   51   24                                                      
CONECT   52   26                                                      
CONECT   53   28                                                      
CONECT   54   37                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
