COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      39.207  26.276 -39.071  1.00  0.00           C  
HETATM    2  C   UNL     1      40.192  27.270 -39.190  1.00  0.00           C  
HETATM    3 CL   UNL     1      40.055  28.855 -38.525  1.00  0.00          Cl  
HETATM    4  C   UNL     1      41.369  27.069 -39.864  1.00  0.00           C  
HETATM    5  C   UNL     1      41.637  25.875 -40.465  1.00  0.00           C  
HETATM    6  C   UNL     1      40.690  24.889 -40.360  1.00  0.00           C  
HETATM    7  C   UNL     1      39.508  25.073 -39.669  1.00  0.00           C  
HETATM    8  C   UNL     1      38.620  23.844 -39.671  1.00  0.00           C  
HETATM    9  C   UNL     1      37.181  24.222 -39.904  1.00  0.00           C  
HETATM   10  C   UNL     1      37.225  24.465 -41.403  1.00  0.00           C  
HETATM   11  N   UNL     1      35.975  24.976 -41.925  1.00  0.00           N  
HETATM   12  C   UNL     1      39.025  22.867 -38.545  1.00  0.00           C  
HETATM   13  O   UNL     1      39.679  21.870 -38.889  1.00  0.00           O  
HETATM   14  N   UNL     1      38.777  23.155 -37.261  1.00  0.00           N  
HETATM   15  C   UNL     1      39.255  22.304 -36.307  1.00  0.00           C  
HETATM   16  C   UNL     1      40.324  21.346 -36.465  1.00  0.00           C  
HETATM   17  C   UNL     1      40.767  20.499 -35.405  1.00  0.00           C  
HETATM   18  C   UNL     1      38.676  22.403 -35.069  1.00  0.00           C  
HETATM   19  C   UNL     1      39.123  21.580 -34.036  1.00  0.00           C  
HETATM   20  C   UNL     1      40.135  20.638 -34.177  1.00  0.00           C  
HETATM   21  N   UNL     1      40.669  19.766 -33.304  1.00  0.00           N  
HETATM   22  N   UNL     1      41.570  19.119 -33.858  1.00  0.00           N  
HETATM   23  C   UNL     1      41.729  19.495 -35.115  1.00  0.00           C  
HETATM   24  N   UNL     1      42.611  18.854 -35.878  1.00  0.00           N  
HETATM   25  C   UNL     1      43.161  19.375 -36.972  1.00  0.00           C  
HETATM   26  O   UNL     1      43.010  20.541 -37.289  1.00  0.00           O  
HETATM   27  C   UNL     1      44.049  18.462 -37.869  1.00  0.00           C  
HETATM   28  C   UNL     1      44.746  19.001 -38.955  1.00  0.00           C  
HETATM   29  C   UNL     1      45.543  18.202 -39.778  1.00  0.00           C  
HETATM   30  C   UNL     1      45.666  16.831 -39.547  1.00  0.00           C  
HETATM   31  C   UNL     1      44.979  16.319 -38.463  1.00  0.00           C  
HETATM   32  C   UNL     1      44.173  17.109 -37.645  1.00  0.00           C  
HETATM   33  H   UNL     1      38.278  26.444 -38.547  1.00  0.00           H  
HETATM   34  H   UNL     1      42.094  27.868 -39.920  1.00  0.00           H  
HETATM   35  H   UNL     1      42.559  25.712 -41.003  1.00  0.00           H  
HETATM   36  H   UNL     1      40.874  23.936 -40.834  1.00  0.00           H  
HETATM   37  H   UNL     1      38.783  23.194 -40.543  1.00  0.00           H  
HETATM   38  H   UNL     1      36.477  23.426 -39.619  1.00  0.00           H  
HETATM   39  H   UNL     1      36.821  25.072 -39.306  1.00  0.00           H  
HETATM   40  H   UNL     1      38.015  25.201 -41.612  1.00  0.00           H  
HETATM   41  H   UNL     1      37.420  23.499 -41.892  1.00  0.00           H  
HETATM   42  H   UNL     1      35.324  25.094 -41.175  1.00  0.00           H  
HETATM   43  H   UNL     1      36.135  25.858 -42.369  1.00  0.00           H  
HETATM   44  H   UNL     1      38.256  23.971 -37.008  1.00  0.00           H  
HETATM   45  H   UNL     1      40.809  21.267 -37.427  1.00  0.00           H  
HETATM   46  H   UNL     1      37.880  23.112 -34.895  1.00  0.00           H  
HETATM   47  H   UNL     1      38.655  21.681 -33.068  1.00  0.00           H  
HETATM   48  H   UNL     1      40.383  19.656 -32.352  1.00  0.00           H  
HETATM   49  H   UNL     1      42.876  17.927 -35.614  1.00  0.00           H  
HETATM   50  H   UNL     1      44.666  20.058 -39.162  1.00  0.00           H  
HETATM   51  H   UNL     1      43.639  16.654 -36.824  1.00  0.00           H  
HETATM   52  H   UNL     1      46.072  18.652 -40.605  1.00  0.00           H  
HETATM   53  H   UNL     1      46.269  16.201 -40.184  1.00  0.00           H  
HETATM   54  H   UNL     1      45.070  15.266 -38.241  1.00  0.00           H  
CONECT    1    2    7    7   33                                       
CONECT    2    1    3    4    4                                       
CONECT    3    2                                                      
CONECT    4    2    2    5   34                                       
CONECT    5    4    6    6   35                                       
CONECT    6    5    5    7   36                                       
CONECT    7    1    1    6    8                                       
CONECT    8    7    9   12   37                                       
CONECT    9    8   10   38   39                                       
CONECT   10    9   11   40   41                                       
CONECT   11   10   42   43                                            
CONECT   12    8   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   44                                            
CONECT   15   14   16   18   18                                       
CONECT   16   15   17   17   45                                       
CONECT   17   16   16   20   23                                       
CONECT   18   15   15   19   46                                       
CONECT   19   18   20   20   47                                       
CONECT   20   17   19   19   21                                       
CONECT   21   20   22   48                                            
CONECT   22   21   23   23                                            
CONECT   23   17   22   22   24                                       
CONECT   24   23   25   49                                            
CONECT   25   24   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   28   32   32                                       
CONECT   28   27   29   29   50                                       
CONECT   29   28   28   30   52                                       
CONECT   30   29   31   31   53                                       
CONECT   31   30   30   32   54                                       
CONECT   32   27   27   31   51                                       
CONECT   33    1                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   11                                                      
CONECT   44   14                                                      
CONECT   45   16                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   21                                                      
CONECT   49   24                                                      
CONECT   50   28                                                      
CONECT   51   32                                                      
CONECT   52   29                                                      
CONECT   53   30                                                      
CONECT   54   31                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
