COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1       7.760   1.057   0.961  1.00  0.00          Cl  
HETATM    2  C   UNL     1       6.097   0.631   0.709  1.00  0.00           C  
HETATM    3  C   UNL     1       5.284   1.402  -0.131  1.00  0.00           C  
HETATM    4  C   UNL     1       5.487   2.607  -0.945  1.00  0.00           C  
HETATM    5  N   UNL     1       6.667   3.326  -1.071  1.00  0.00           N  
HETATM    6  N   UNL     1       4.350   2.875  -1.527  1.00  0.00           N  
HETATM    7  O   UNL     1       3.386   1.912  -1.149  1.00  0.00           O  
HETATM    8  C   UNL     1       3.946   1.022  -0.308  1.00  0.00           C  
HETATM    9  C   UNL     1       5.560  -0.466   1.323  1.00  0.00           C  
HETATM   10  N   UNL     1       4.295  -0.808   1.138  1.00  0.00           N  
HETATM   11  C   UNL     1       3.480  -0.112   0.364  1.00  0.00           C  
HETATM   12  N   UNL     1       2.158  -0.518   0.205  1.00  0.00           N  
HETATM   13  C   UNL     1       1.716  -1.346   1.352  1.00  0.00           C  
HETATM   14  C   UNL     1       1.274  -2.707   0.729  1.00  0.00           C  
HETATM   15  C   UNL     1       2.002  -1.365  -1.017  1.00  0.00           C  
HETATM   16  C   UNL     1       3.118  -2.447  -0.893  1.00  0.00           C  
HETATM   17  C   UNL     1       2.614  -3.364   0.271  1.00  0.00           C  
HETATM   18  C   UNL     1       0.721  -2.194  -0.649  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.461  -1.343  -0.489  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.687  -1.899  -0.418  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.811  -3.107  -0.486  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.878  -1.042  -0.256  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.736   0.345  -0.177  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.850   1.142  -0.027  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.151  -1.617  -0.188  1.00  0.00           C  
HETATM   26 CL   UNL     1      -4.334  -3.340  -0.292  1.00  0.00          Cl  
HETATM   27  C   UNL     1      -5.260  -0.812  -0.037  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.114   0.567   0.047  1.00  0.00           C  
HETATM   29  N   UNL     1      -6.242   1.380   0.200  1.00  0.00           N  
HETATM   30  C   UNL     1      -7.524   0.975   0.292  1.00  0.00           C  
HETATM   31  N   UNL     1      -8.276   2.037   0.427  1.00  0.00           N  
HETATM   32  N   UNL     1      -6.263   2.781   0.296  1.00  0.00           N  
HETATM   33  C   UNL     1      -7.516   3.132   0.426  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.019   4.547   0.560  1.00  0.00           C  
HETATM   35  H   UNL     1       7.462   3.042  -0.594  1.00  0.00           H  
HETATM   36  H   UNL     1       6.697   4.113  -1.637  1.00  0.00           H  
HETATM   37  H   UNL     1       6.180  -1.066   1.972  1.00  0.00           H  
HETATM   38  H   UNL     1       2.540  -1.499   2.049  1.00  0.00           H  
HETATM   39  H   UNL     1       0.876  -0.871   1.859  1.00  0.00           H  
HETATM   40  H   UNL     1       0.602  -3.320   1.329  1.00  0.00           H  
HETATM   41  H   UNL     1       1.967  -0.827  -1.964  1.00  0.00           H  
HETATM   42  H   UNL     1       3.199  -3.018  -1.818  1.00  0.00           H  
HETATM   43  H   UNL     1       4.073  -1.982  -0.649  1.00  0.00           H  
HETATM   44  H   UNL     1       3.336  -3.366   1.088  1.00  0.00           H  
HETATM   45  H   UNL     1       2.438  -4.378  -0.087  1.00  0.00           H  
HETATM   46  H   UNL     1       0.541  -3.009  -1.350  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.361  -0.380  -0.434  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.755   0.793  -0.234  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.741   2.215   0.035  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.244  -1.255   0.016  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.870  -0.048   0.260  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.046   4.824   1.613  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.352   5.222   0.023  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.022   4.617   0.139  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    9    9    3    1                                       
CONECT    3    8    8    2    4                                       
CONECT    4    3    6    6    5                                       
CONECT    5    4   35   36                                            
CONECT    6    7    4    4                                            
CONECT    7    8    6                                                 
CONECT    8   11    7    3    3                                       
CONECT    9   10    2    2   37                                       
CONECT   10   11   11    9                                            
CONECT   11   12   10   10    8                                       
CONECT   12   13   15   11                                            
CONECT   13   14   12   38   39                                       
CONECT   14   17   13   18   40                                       
CONECT   15   16   18   12   41                                       
CONECT   16   17   15   42   43                                       
CONECT   17   14   16   44   45                                       
CONECT   18   14   19   15   46                                       
CONECT   19   18   20   47                                            
CONECT   20   21   21   19   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   23   25                                       
CONECT   23   22   22   24   48                                       
CONECT   24   23   28   28   49                                       
CONECT   25   22   26   27   27                                       
CONECT   26   25                                                      
CONECT   27   25   25   28   50                                       
CONECT   28   24   24   27   29                                       
CONECT   29   28   30   32                                            
CONECT   30   29   31   31   51                                       
CONECT   31   30   30   33                                            
CONECT   32   29   33   33                                            
CONECT   33   31   32   32   34                                       
CONECT   34   33   52   53   54                                       
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    9                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   27                                                      
CONECT   51   30                                                      
CONECT   52   34                                                      
CONECT   53   34                                                      
CONECT   54   34                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
