COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1       3.230   3.482  -1.872  1.00  0.00          Cl  
HETATM    2  C   UNL     1       2.160   2.678  -0.766  1.00  0.00           C  
HETATM    3  C   UNL     1       0.867   2.381  -1.153  1.00  0.00           C  
HETATM    4  C   UNL     1       0.021   1.728  -0.275  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.385   1.394  -0.710  1.00  0.00           C  
HETATM    6  C   UNL     1       0.463   1.379   0.986  1.00  0.00           C  
HETATM    7  C   UNL     1       1.754   1.676   1.378  1.00  0.00           C  
HETATM    8  C   UNL     1       2.607   2.332   0.502  1.00  0.00           C  
HETATM    9  O   UNL     1       3.869   2.648   0.889  1.00  0.00           O  
HETATM   10  C   UNL     1       4.687   1.602   1.419  1.00  0.00           C  
HETATM   11  C   UNL     1       4.253   0.287   0.830  1.00  0.00           C  
HETATM   12  C   UNL     1       4.428  -0.827   1.495  1.00  0.00           C  
HETATM   13  C   UNL     1       3.904  -2.124   0.919  1.00  0.00           C  
HETATM   14  O   UNL     1       2.653  -1.862   0.287  1.00  0.00           O  
HETATM   15  C   UNL     1       1.881  -2.910  -0.078  1.00  0.00           C  
HETATM   16  C   UNL     1       2.401  -4.187  -0.203  1.00  0.00           C  
HETATM   17  C   UNL     1       1.590  -5.229  -0.611  1.00  0.00           C  
HETATM   18  C   UNL     1       0.255  -5.002  -0.902  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.285  -3.740  -0.772  1.00  0.00           C  
HETATM   20  C   UNL     1       0.521  -2.683  -0.346  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.028  -1.329  -0.164  1.00  0.00           C  
HETATM   22  O   UNL     1       0.648  -0.465   0.360  1.00  0.00           O  
HETATM   23  N   UNL     1      -1.299  -1.042  -0.585  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.874   0.153   0.033  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.378   0.086  -0.045  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.911  -0.643  -0.854  1.00  0.00           O  
HETATM   27  N   UNL     1      -4.129   0.837   0.785  1.00  0.00           N  
HETATM   28  C   UNL     1      -5.591   0.773   0.709  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.148   0.569  -0.637  1.00  0.00           C  
HETATM   30  N   UNL     1      -6.579   0.412  -1.677  1.00  0.00           N  
HETATM   31  C   UNL     1      -6.387   1.648   1.679  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.331   0.132   1.885  1.00  0.00           C  
HETATM   33  H   UNL     1       0.518   2.658  -2.137  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.043   2.233  -0.485  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.396   1.201  -1.782  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.203   0.871   1.668  1.00  0.00           H  
HETATM   37  H   UNL     1       2.098   1.400   2.364  1.00  0.00           H  
HETATM   38  H   UNL     1       5.730   1.789   1.162  1.00  0.00           H  
HETATM   39  H   UNL     1       4.580   1.569   2.503  1.00  0.00           H  
HETATM   40  H   UNL     1       3.797   0.267  -0.150  1.00  0.00           H  
HETATM   41  H   UNL     1       4.913  -0.821   2.456  1.00  0.00           H  
HETATM   42  H   UNL     1       4.611  -2.513   0.186  1.00  0.00           H  
HETATM   43  H   UNL     1       3.767  -2.852   1.718  1.00  0.00           H  
HETATM   44  H   UNL     1       3.443  -4.369   0.018  1.00  0.00           H  
HETATM   45  H   UNL     1       1.999  -6.224  -0.705  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.368  -5.819  -1.233  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.327  -3.569  -1.000  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.776  -1.582  -1.235  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.564   0.208   1.077  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.702   1.421   1.432  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.824   2.271   2.373  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.325   2.072   1.320  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.231  -0.440   1.661  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.731  -0.241   2.715  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    3    3    8    1                                       
CONECT    3    4    2    2   33                                       
CONECT    4    5    6    6    3                                       
CONECT    5   24    4   34   35                                       
CONECT    6    4    4    7   36                                       
CONECT    7    6    8    8   37                                       
CONECT    8    7    7    2    9                                       
CONECT    9    8   10                                                 
CONECT   10   11    9   38   39                                       
CONECT   11   12   12   10   40                                       
CONECT   12   13   11   11   41                                       
CONECT   13   14   12   42   43                                       
CONECT   14   15   13                                                 
CONECT   15   20   20   16   14                                       
CONECT   16   17   17   15   44                                       
CONECT   17   18   16   16   45                                       
CONECT   18   19   19   17   46                                       
CONECT   19   18   18   20   47                                       
CONECT   20   19   21   15   15                                       
CONECT   21   23   22   22   20                                       
CONECT   22   21   21                                                 
CONECT   23   24   21   48                                            
CONECT   24   25   23    5   49                                       
CONECT   25   26   26   27   24                                       
CONECT   26   25   25                                                 
CONECT   27   28   25   50                                            
CONECT   28   32   31   29   27                                       
CONECT   29   30   30   30   28                                       
CONECT   30   29   29   29                                            
CONECT   31   32   28   51   52                                       
CONECT   32   31   28   53   54                                       
CONECT   33    3                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   27                                                      
CONECT   51   31                                                      
CONECT   52   31                                                      
CONECT   53   32                                                      
CONECT   54   32                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
