COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.232   0.694  -0.595  1.00  0.00           C  
HETATM    2  C   UNL     1       6.764   1.962  -0.475  1.00  0.00           C  
HETATM    3  C   UNL     1       5.938   3.037  -0.200  1.00  0.00           C  
HETATM    4  C   UNL     1       4.577   2.849  -0.044  1.00  0.00           C  
HETATM    5  C   UNL     1       4.034   1.586  -0.163  1.00  0.00           C  
HETATM    6  C   UNL     1       4.861   0.498  -0.440  1.00  0.00           C  
HETATM    7  C   UNL     1       4.284  -0.862  -0.567  1.00  0.00           C  
HETATM    8  N   UNL     1       4.672  -1.819  -1.372  1.00  0.00           N  
HETATM    9  O   UNL     1       4.005  -2.816  -1.246  1.00  0.00           O  
HETATM   10  C   UNL     1       3.045  -2.699  -0.325  1.00  0.00           C  
HETATM   11  C   UNL     1       2.046  -3.754   0.073  1.00  0.00           C  
HETATM   12  C   UNL     1       3.151  -1.433   0.192  1.00  0.00           C  
HETATM   13  C   UNL     1       2.333  -0.796   1.237  1.00  0.00           C  
HETATM   14  O   UNL     1       2.658  -0.889   2.405  1.00  0.00           O  
HETATM   15  N   UNL     1       1.223  -0.109   0.900  1.00  0.00           N  
HETATM   16  C   UNL     1       0.808   0.011  -0.506  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.665  -0.399  -0.615  1.00  0.00           C  
HETATM   18  C   UNL     1       0.391   0.534   1.928  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.064   0.103   1.718  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.460   0.388   0.336  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.827   0.161   0.154  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.671   1.217  -0.172  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.022   0.989  -0.352  1.00  0.00           C  
HETATM   24 CL   UNL     1      -3.027   2.820  -0.352  1.00  0.00          Cl  
HETATM   25  C   UNL     1      -3.345  -1.120   0.291  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.697  -1.340   0.110  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.534  -0.287  -0.209  1.00  0.00           C  
HETATM   28  N   UNL     1      -6.982  -0.527  -0.402  1.00  0.00           N1+
HETATM   29  O   UNL     1      -7.720   0.399  -0.688  1.00  0.00           O1-
HETATM   30  O   UNL     1      -7.435  -1.651  -0.276  1.00  0.00           O  
HETATM   31  H   UNL     1       6.877  -0.144  -0.814  1.00  0.00           H  
HETATM   32  H   UNL     1       7.826   2.115  -0.596  1.00  0.00           H  
HETATM   33  H   UNL     1       6.359   4.028  -0.106  1.00  0.00           H  
HETATM   34  H   UNL     1       3.937   3.692   0.171  1.00  0.00           H  
HETATM   35  H   UNL     1       2.971   1.440  -0.041  1.00  0.00           H  
HETATM   36  H   UNL     1       2.218  -4.657  -0.512  1.00  0.00           H  
HETATM   37  H   UNL     1       2.160  -3.981   1.133  1.00  0.00           H  
HETATM   38  H   UNL     1       1.036  -3.387  -0.113  1.00  0.00           H  
HETATM   39  H   UNL     1       0.927   1.043  -0.836  1.00  0.00           H  
HETATM   40  H   UNL     1       1.418  -0.647  -1.125  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.020  -0.211  -1.629  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.765  -1.459  -0.385  1.00  0.00           H  
HETATM   43  H   UNL     1       0.726   0.222   2.918  1.00  0.00           H  
HETATM   44  H   UNL     1       0.469   1.617   1.837  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.158  -0.966   1.911  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.709   0.655   2.401  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.678   1.809  -0.605  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.692  -1.943   0.539  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.100  -2.336   0.217  1.00  0.00           H  
CONECT    1    6    6    2   31                                       
CONECT    2    1    3    3   32                                       
CONECT    3    2    2    4   33                                       
CONECT    4    5    5    3   34                                       
CONECT    5    6    4    4   35                                       
CONECT    6    7    1    1    5                                       
CONECT    7    8    8   12    6                                       
CONECT    8    9    7    7                                            
CONECT    9   10    8                                                 
CONECT   10   11    9   12   12                                       
CONECT   11   10   36   37   38                                       
CONECT   12   10   10    7   13                                       
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   18   16                                            
CONECT   16   15   17   39   40                                       
CONECT   17   16   20   41   42                                       
CONECT   18   15   19   43   44                                       
CONECT   19   18   20   45   46                                       
CONECT   20   19   17   21                                            
CONECT   21   20   22   22   25                                       
CONECT   22   24   21   21   23                                       
CONECT   23   22   27   27   47                                       
CONECT   24   22                                                      
CONECT   25   21   26   26   48                                       
CONECT   26   25   25   27   49                                       
CONECT   27   23   23   26   28                                       
CONECT   28   27   29   30   30                                       
CONECT   29   28                                                      
CONECT   30   28   28                                                 
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   23                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
