COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      -7.142  -3.270  -0.567  1.00  0.00          Cl  
HETATM    2  C   UNL     1      -6.005  -2.002  -0.233  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.997  -1.388   1.007  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.090  -0.379   1.272  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.102  -1.609  -1.205  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.196  -0.599  -0.938  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.193   0.018   0.299  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.205   1.119   0.589  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.713   2.430  -0.015  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.775   3.572   0.384  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.249   4.797  -0.179  1.00  0.00           O  
HETATM   12  N   UNL     1      -1.908   0.780  -0.001  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.777   1.303   0.512  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.833   2.055   1.462  1.00  0.00           O  
HETATM   15  C   UNL     1       0.558   0.954  -0.095  1.00  0.00           C  
HETATM   16  C   UNL     1       1.562   2.071   0.201  1.00  0.00           C  
HETATM   17  C   UNL     1       2.930   1.683  -0.365  1.00  0.00           C  
HETATM   18  N   UNL     1       0.410   0.799  -1.548  1.00  0.00           N  
HETATM   19  C   UNL     1       1.068  -0.357   0.510  1.00  0.00           C  
HETATM   20  C   UNL     1       2.450  -0.674  -0.064  1.00  0.00           C  
HETATM   21  N   UNL     1       3.375   0.424   0.247  1.00  0.00           N  
HETATM   22  C   UNL     1       4.665   0.112  -0.144  1.00  0.00           C  
HETATM   23  N   UNL     1       5.338   0.907  -0.970  1.00  0.00           N  
HETATM   24  C   UNL     1       6.570   0.613  -1.346  1.00  0.00           C  
HETATM   25  N   UNL     1       7.200  -0.466  -0.934  1.00  0.00           N  
HETATM   26  C   UNL     1       5.298  -1.049   0.326  1.00  0.00           C  
HETATM   27  C   UNL     1       4.923  -2.144   1.218  1.00  0.00           C  
HETATM   28  C   UNL     1       5.976  -2.975   1.277  1.00  0.00           C  
HETATM   29  N   UNL     1       6.992  -2.494   0.492  1.00  0.00           N  
HETATM   30  C   UNL     1       6.609  -1.325  -0.105  1.00  0.00           C  
HETATM   31  H   UNL     1      -6.698  -1.698   1.767  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.084   0.100   2.240  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.104  -2.091  -2.171  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.491  -0.292  -1.697  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.095   1.234   1.667  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.738   2.345  -1.101  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.716   2.637   0.357  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.750   3.658   1.471  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.772   3.365   0.013  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.702   5.565   0.034  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.863   0.178  -0.761  1.00  0.00           H  
HETATM   42  H   UNL     1       1.225   2.997  -0.265  1.00  0.00           H  
HETATM   43  H   UNL     1       1.641   2.213   1.279  1.00  0.00           H  
HETATM   44  H   UNL     1       2.854   1.554  -1.444  1.00  0.00           H  
HETATM   45  H   UNL     1       3.651   2.470  -0.143  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.247   0.066  -1.769  1.00  0.00           H  
HETATM   47  H   UNL     1       0.139   1.670  -1.979  1.00  0.00           H  
HETATM   48  H   UNL     1       1.139  -0.254   1.593  1.00  0.00           H  
HETATM   49  H   UNL     1       0.377  -1.164   0.266  1.00  0.00           H  
HETATM   50  H   UNL     1       2.822  -1.599   0.375  1.00  0.00           H  
HETATM   51  H   UNL     1       2.376  -0.790  -1.146  1.00  0.00           H  
HETATM   52  H   UNL     1       7.081   1.286  -2.018  1.00  0.00           H  
HETATM   53  H   UNL     1       3.980  -2.262   1.732  1.00  0.00           H  
HETATM   54  H   UNL     1       6.017  -3.886   1.856  1.00  0.00           H  
HETATM   55  H   UNL     1       7.858  -2.917   0.383  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    5    5    3                                       
CONECT    3    2    4    4   31                                       
CONECT    4    3    3    7   32                                       
CONECT    5    2    2    6   33                                       
CONECT    6    5    7    7   34                                       
CONECT    7    6    6    4    8                                       
CONECT    8    7   12    9   35                                       
CONECT    9    8   10   36   37                                       
CONECT   10    9   11   38   39                                       
CONECT   11   10   40                                                 
CONECT   12   13    8   41                                            
CONECT   13   15   14   14   12                                       
CONECT   14   13   13                                                 
CONECT   15   16   19   13   18                                       
CONECT   16   17   15   42   43                                       
CONECT   17   21   16   44   45                                       
CONECT   18   15   46   47                                            
CONECT   19   20   15   48   49                                       
CONECT   20   21   19   50   51                                       
CONECT   21   22   17   20                                            
CONECT   22   26   26   23   21                                       
CONECT   23   24   24   22                                            
CONECT   24   25   23   23   52                                       
CONECT   25   30   30   24                                            
CONECT   26   30   27   22   22                                       
CONECT   27   28   28   26   53                                       
CONECT   28   29   27   27   54                                       
CONECT   29   30   28   55                                            
CONECT   30   25   25   29   26                                       
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   24                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   29                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
