COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.765   0.464   0.432  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.157   1.552  -0.169  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.800   1.528  -0.438  1.00  0.00           C  
HETATM    4  C   UNL     1       0.123  -1.703  -0.007  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.345  -1.242   1.222  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.696  -1.266   1.496  1.00  0.00           C  
HETATM    7  C   UNL     1       1.577  -1.679  -0.306  1.00  0.00           C  
HETATM    8  C   UNL     1       4.974  -1.036   0.403  1.00  0.00           C  
HETATM    9  C   UNL     1       5.297   0.414   0.035  1.00  0.00           C  
HETATM   10  C   UNL     1       6.613   0.827   0.696  1.00  0.00           C  
HETATM   11  C   UNL     1       6.869   2.289   0.436  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.049   0.416  -0.107  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.657  -0.676   0.496  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.018  -0.649   0.765  1.00  0.00           C  
HETATM   15  O   UNL     1      -3.920  -1.770   0.822  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.590  -1.748   0.549  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.126  -2.208  -0.677  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.775  -2.191  -0.954  1.00  0.00           C  
HETATM   19  N   UNL     1       2.170  -2.091  -1.435  1.00  0.00           N  
HETATM   20  N   UNL     1       3.438  -1.902  -1.293  1.00  0.00           N  
HETATM   21  N   UNL     1       3.657  -1.394  -0.131  1.00  0.00           N  
HETATM   22  N   UNL     1       2.536  -1.243   0.487  1.00  0.00           N  
HETATM   23 CL   UNL     1      -7.098   2.950  -0.586  1.00  0.00          Cl  
HETATM   24  N   UNL     1       5.423   0.532  -1.424  1.00  0.00           N  
HETATM   25  O   UNL     1       7.974   2.874   0.924  1.00  0.00           O  
HETATM   26  O   UNL     1       6.080   2.934  -0.213  1.00  0.00           O  
HETATM   27  H   UNL     1      -7.823   0.487   0.645  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.327   2.378  -0.908  1.00  0.00           H  
HETATM   29  H   UNL     1       0.350  -0.867   1.959  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.060  -0.909   2.448  1.00  0.00           H  
HETATM   31  H   UNL     1       5.730  -1.696  -0.023  1.00  0.00           H  
HETATM   32  H   UNL     1       4.967  -1.143   1.487  1.00  0.00           H  
HETATM   33  H   UNL     1       4.495   1.064   0.384  1.00  0.00           H  
HETATM   34  H   UNL     1       6.549   0.655   1.771  1.00  0.00           H  
HETATM   35  H   UNL     1       7.429   0.235   0.282  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.990   0.397  -0.318  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.492  -1.497   1.237  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.823  -2.582  -1.411  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.414  -2.553  -1.906  1.00  0.00           H  
HETATM   40  H   UNL     1       5.573   1.492  -1.697  1.00  0.00           H  
HETATM   41  H   UNL     1       6.161  -0.062  -1.772  1.00  0.00           H  
HETATM   42  H   UNL     1       8.095   3.814   0.730  1.00  0.00           H  
CONECT    1    2    2   14   27                                       
CONECT    2   23    1    1    3                                       
CONECT    3    2   12   12   28                                       
CONECT    4    5    7   18   18                                       
CONECT    5    6    6    4   29                                       
CONECT    6    5    5   16   30                                       
CONECT    7   22   22    4   19                                       
CONECT    8    9   21   31   32                                       
CONECT    9   24   10    8   33                                       
CONECT   10   11    9   34   35                                       
CONECT   11   26   26   25   10                                       
CONECT   12    3    3   13   36                                       
CONECT   13   14   14   12   15                                       
CONECT   14    1   13   13   37                                       
CONECT   15   13   16                                                 
CONECT   16    6   15   17   17                                       
CONECT   17   16   16   18   38                                       
CONECT   18    4    4   17   39                                       
CONECT   19    7   20   20                                            
CONECT   20   21   19   19                                            
CONECT   21    8   22   20                                            
CONECT   22   21    7    7                                            
CONECT   23    2                                                      
CONECT   24    9   40   41                                            
CONECT   25   11   42                                                 
CONECT   26   11   11                                                 
CONECT   27    1                                                      
CONECT   28    3                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37   14                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   24                                                      
CONECT   41   24                                                      
CONECT   42   25                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
