COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.809  -1.274  -0.639  1.00  0.00           C  
HETATM    2  O   UNL     1       3.878  -2.138  -1.490  1.00  0.00           O  
HETATM    3  O   UNL     1       4.931  -0.816  -0.052  1.00  0.00           O  
HETATM    4  C   UNL     1       6.187  -1.400  -0.486  1.00  0.00           C  
HETATM    5  C   UNL     1       7.324  -0.769   0.276  1.00  0.00           C  
HETATM    6  C   UNL     1       7.747  -1.321   1.471  1.00  0.00           C  
HETATM    7  C   UNL     1       8.790  -0.741   2.169  1.00  0.00           C  
HETATM    8  C   UNL     1       9.410   0.389   1.673  1.00  0.00           C  
HETATM    9  C   UNL     1       8.989   0.941   0.477  1.00  0.00           C  
HETATM   10  C   UNL     1       7.949   0.359  -0.223  1.00  0.00           C  
HETATM   11  N   UNL     1       2.610  -0.770  -0.286  1.00  0.00           N  
HETATM   12  C   UNL     1       1.390  -1.263  -0.929  1.00  0.00           C  
HETATM   13  C   UNL     1       0.195  -0.543  -0.360  1.00  0.00           C  
HETATM   14  O   UNL     1       0.348   0.301   0.499  1.00  0.00           O  
HETATM   15  N   UNL     1      -1.043  -0.835  -0.804  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.205  -0.134  -0.251  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.432  -0.994  -0.409  1.00  0.00           C  
HETATM   18  O   UNL     1      -3.345  -2.085  -0.932  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.407   1.186  -0.998  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.233   2.094  -0.739  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.133   2.057  -1.576  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.259   2.969   0.331  1.00  0.00           C  
HETATM   23  C   UNL     1       0.944   2.891  -1.338  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.182   3.802   0.568  1.00  0.00           C  
HETATM   25  C   UNL     1       0.921   3.761  -0.265  1.00  0.00           C  
HETATM   26  N   UNL     1      -4.627  -0.551   0.032  1.00  0.00           N  
HETATM   27  C   UNL     1      -5.820  -1.387  -0.122  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.015  -0.666   0.447  1.00  0.00           C  
HETATM   29  O   UNL     1      -6.883   0.432   0.931  1.00  0.00           O  
HETATM   30  C   UNL     1      -8.374  -1.316   0.413  1.00  0.00           C  
HETATM   31 CL   UNL     1      -9.587  -0.213   1.163  1.00  0.00          Cl  
HETATM   32  H   UNL     1       6.174  -2.473  -0.295  1.00  0.00           H  
HETATM   33  H   UNL     1       6.322  -1.222  -1.553  1.00  0.00           H  
HETATM   34  H   UNL     1       7.262  -2.204   1.859  1.00  0.00           H  
HETATM   35  H   UNL     1       9.119  -1.172   3.103  1.00  0.00           H  
HETATM   36  H   UNL     1      10.225   0.842   2.219  1.00  0.00           H  
HETATM   37  H   UNL     1       9.474   1.824   0.089  1.00  0.00           H  
HETATM   38  H   UNL     1       7.622   0.788  -1.159  1.00  0.00           H  
HETATM   39  H   UNL     1       2.555  -0.080   0.394  1.00  0.00           H  
HETATM   40  H   UNL     1       1.446  -1.082  -2.002  1.00  0.00           H  
HETATM   41  H   UNL     1       1.290  -2.333  -0.746  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.165  -1.510  -1.491  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.037   0.068   0.807  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.487   0.990  -2.067  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.322   1.665  -0.647  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.115   1.377  -2.414  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.120   3.001   0.982  1.00  0.00           H  
HETATM   48  H   UNL     1       1.804   2.861  -1.991  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.201   4.486   1.404  1.00  0.00           H  
HETATM   50  H   UNL     1       1.762   4.412  -0.080  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.696   0.321   0.450  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.988  -1.590  -1.180  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.675  -2.328   0.410  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.655  -1.516  -0.621  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.342  -2.254   0.968  1.00  0.00           H  
CONECT    1    2    2    3   11                                       
CONECT    2    1    1                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5   32   33                                       
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   34                                       
CONECT    7    6    8    8   35                                       
CONECT    8    7    7    9   36                                       
CONECT    9    8   10   10   37                                       
CONECT   10    5    9    9   38                                       
CONECT   11   12   39    1                                            
CONECT   12   11   13   40   41                                       
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   16   42   13                                            
CONECT   16   15   17   19   43                                       
CONECT   17   16   18   18   26                                       
CONECT   18   17   17                                                 
CONECT   19   16   20   44   45                                       
CONECT   20   19   21   21   22                                       
CONECT   21   20   20   23   46                                       
CONECT   22   20   24   24   47                                       
CONECT   23   21   25   25   48                                       
CONECT   24   22   22   25   49                                       
CONECT   25   23   23   24   50                                       
CONECT   26   27   51   17                                            
CONECT   27   26   28   52   53                                       
CONECT   28   27   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   31   54   55   28                                       
CONECT   31   30                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   27                                                      
CONECT   54   30                                                      
CONECT   55   30                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
