COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.680   2.740   0.997  1.00  0.00           C  
HETATM    2  N   UNL     1      -4.957   1.486   0.745  1.00  0.00           N  
HETATM    3  C   UNL     1      -4.799   1.250  -0.696  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.205  -0.145  -0.919  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.969  -0.259  -0.131  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.019   0.095   1.296  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.659   1.480   1.432  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.821  -0.676  -0.701  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.798  -0.964  -1.881  1.00  0.00           O  
HETATM   10  O   UNL     1      -0.700  -0.774   0.038  1.00  0.00           O  
HETATM   11  C   UNL     1       0.475  -1.321  -0.616  1.00  0.00           C  
HETATM   12  N   UNL     1       1.690  -0.709  -0.067  1.00  0.00           N  
HETATM   13  C   UNL     1       2.450  -1.672   0.481  1.00  0.00           C  
HETATM   14  O   UNL     1       3.523  -1.488   1.021  1.00  0.00           O  
HETATM   15  C   UNL     1       1.793  -2.988   0.333  1.00  0.00           C  
HETATM   16  N   UNL     1       2.150  -4.214   0.707  1.00  0.00           N  
HETATM   17  C   UNL     1       1.361  -5.237   0.445  1.00  0.00           C  
HETATM   18  C   UNL     1       0.159  -5.042  -0.220  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.201  -3.826  -0.595  1.00  0.00           N  
HETATM   20  C   UNL     1       0.582  -2.800  -0.336  1.00  0.00           C  
HETATM   21  C   UNL     1       2.003   0.649  -0.107  1.00  0.00           C  
HETATM   22  N   UNL     1       3.156   1.070   0.389  1.00  0.00           N  
HETATM   23  C   UNL     1       3.493   2.345   0.371  1.00  0.00           C  
HETATM   24  C   UNL     1       2.646   3.294  -0.171  1.00  0.00           C  
HETATM   25 CL   UNL     1       3.102   4.969  -0.188  1.00  0.00          Cl  
HETATM   26  C   UNL     1       1.426   2.892  -0.701  1.00  0.00           C  
HETATM   27  C   UNL     1       1.105   1.547  -0.672  1.00  0.00           C  
HETATM   28  H   UNL     1      -6.669   2.687   0.541  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.784   2.890   2.072  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.125   3.573   0.566  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.771   1.314  -1.184  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.130   2.001  -1.116  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.918  -0.902  -0.594  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.979  -0.281  -1.977  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.618  -0.640   1.834  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.008   0.116   1.703  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.006   2.228   0.983  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.805   1.711   2.488  1.00  0.00           H  
HETATM   39  H   UNL     1       0.421  -1.146  -1.691  1.00  0.00           H  
HETATM   40  H   UNL     1       1.652  -6.232   0.748  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.482  -5.884  -0.433  1.00  0.00           H  
HETATM   42  H   UNL     1       4.442   2.652   0.786  1.00  0.00           H  
HETATM   43  H   UNL     1       0.747   3.613  -1.131  1.00  0.00           H  
HETATM   44  H   UNL     1       0.167   1.199  -1.080  1.00  0.00           H  
CONECT    1    2   28   29   30                                       
CONECT    2    1    3    7                                            
CONECT    3    2    4   31   32                                       
CONECT    4    3    5   33   34                                       
CONECT    5    4    6    8                                            
CONECT    6    5    7   35   36                                       
CONECT    7    2    6   37   38                                       
CONECT    8    5    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11                                                 
CONECT   11   10   12   20   39                                       
CONECT   12   11   13   21                                            
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   16   20                                       
CONECT   16   15   15   17                                            
CONECT   17   16   18   18   40                                       
CONECT   18   17   17   19   41                                       
CONECT   19   18   20   20                                            
CONECT   20   11   15   19   19                                       
CONECT   21   12   22   22   27                                       
CONECT   22   21   21   23                                            
CONECT   23   22   24   24   42                                       
CONECT   24   23   23   25   26                                       
CONECT   25   24                                                      
CONECT   26   24   27   27   43                                       
CONECT   27   21   26   26   44                                       
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39   11                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   23                                                      
CONECT   43   26                                                      
CONECT   44   27                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
