COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.536   0.930  -0.821  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.412   0.108  -0.892  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.763   1.714   0.326  1.00  0.00           C  
HETATM    4  N   UNL     1      -6.931   2.413   0.114  1.00  0.00           N  
HETATM    5  C   UNL     1      -4.860   1.662   1.384  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.761   0.855   1.310  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.526   0.072   0.176  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.534   3.351   1.064  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.326  -0.800   0.114  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.460  -2.145  -0.247  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.352  -2.961  -0.307  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.096  -2.450  -0.009  1.00  0.00           C  
HETATM   13  C   UNL     1       0.049  -1.101   0.354  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.075  -0.276   0.408  1.00  0.00           C  
HETATM   15  N   UNL     1       1.176  -2.995   0.023  1.00  0.00           N  
HETATM   16  N   UNL     1       1.372  -0.890   0.585  1.00  0.00           N  
HETATM   17  C   UNL     1       2.034  -2.000   0.391  1.00  0.00           C  
HETATM   18  O   UNL     1       3.372  -2.142   0.534  1.00  0.00           O  
HETATM   19  C   UNL     1       4.106  -1.032   0.810  1.00  0.00           C  
HETATM   20  C   UNL     1       4.143  -0.530   2.105  1.00  0.00           C  
HETATM   21  C   UNL     1       4.887   0.599   2.392  1.00  0.00           C  
HETATM   22  C   UNL     1       5.599   1.235   1.394  1.00  0.00           C  
HETATM   23  C   UNL     1       5.567   0.737   0.090  1.00  0.00           C  
HETATM   24  C   UNL     1       4.820  -0.406  -0.197  1.00  0.00           C  
HETATM   25  C   UNL     1       6.408   2.465   1.712  1.00  0.00           C  
HETATM   26 CL   UNL     1      -4.029  -2.788  -0.620  1.00  0.00          Cl  
HETATM   27  C   UNL     1      -6.653   1.207  -1.729  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.444   2.101  -1.115  1.00  0.00           C  
HETATM   29  C   UNL     1       6.328   1.415  -0.981  1.00  0.00           C  
HETATM   30  N   UNL     1       6.201   1.006  -2.259  1.00  0.00           N  
HETATM   31  O   UNL     1       7.067   2.341  -0.710  1.00  0.00           O  
HETATM   32  O   UNL     1       6.929   1.656  -3.286  1.00  0.00           O  
HETATM   33  H   UNL     1      -4.233  -0.496  -1.769  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.030   2.261   2.266  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.066   0.822   2.136  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.147   4.353   0.880  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.616   3.351   0.938  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.287   3.047   2.082  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.461  -3.999  -0.585  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.973   0.762   0.686  1.00  0.00           H  
HETATM   41  H   UNL     1       1.414  -3.914  -0.179  1.00  0.00           H  
HETATM   42  H   UNL     1       3.589  -1.023   2.889  1.00  0.00           H  
HETATM   43  H   UNL     1       4.912   0.986   3.400  1.00  0.00           H  
HETATM   44  H   UNL     1       4.795  -0.798  -1.203  1.00  0.00           H  
HETATM   45  H   UNL     1       7.449   2.184   1.872  1.00  0.00           H  
HETATM   46  H   UNL     1       6.345   3.166   0.879  1.00  0.00           H  
HETATM   47  H   UNL     1       6.016   2.936   2.613  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.806   0.779  -2.708  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.356   2.508  -1.527  1.00  0.00           H  
HETATM   50  H   UNL     1       5.611   0.267  -2.476  1.00  0.00           H  
HETATM   51  H   UNL     1       6.773   1.293  -4.168  1.00  0.00           H  
CONECT    1   27    2    2    3                                       
CONECT    2    1    1    7   33                                       
CONECT    3    1    4    5    5                                       
CONECT    4   28    3    8                                            
CONECT    5    3    3    6   34                                       
CONECT    6    7    7    5   35                                       
CONECT    7    2    9    6    6                                       
CONECT    8    4   36   37   38                                       
CONECT    9   14   14   10    7                                       
CONECT   10   11   11    9   26                                       
CONECT   11   12   10   10   39                                       
CONECT   12   15   13   13   11                                       
CONECT   13   16   12   12   14                                       
CONECT   14   13    9    9   40                                       
CONECT   15   17   12   41                                            
CONECT   16   17   17   13                                            
CONECT   17   18   16   16   15                                       
CONECT   18   19   17                                                 
CONECT   19   20   18   24   24                                       
CONECT   20   21   21   19   42                                       
CONECT   21   20   20   22   43                                       
CONECT   22   21   25   23   23                                       
CONECT   23   22   22   24   29                                       
CONECT   24   19   19   23   44                                       
CONECT   25   22   45   46   47                                       
CONECT   26   10                                                      
CONECT   27   28   28    1   48                                       
CONECT   28   27   27    4   49                                       
CONECT   29   23   31   31   30                                       
CONECT   30   32   29   50                                            
CONECT   31   29   29                                                 
CONECT   32   30   51                                                 
CONECT   33    2                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39   11                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   27                                                      
CONECT   49   28                                                      
CONECT   50   30                                                      
CONECT   51   32                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
