COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.448   0.886  -0.246  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.143  -0.064   1.153  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.877  -0.807   1.372  1.00  0.00           C  
HETATM    4  C   UNL     1       1.668   0.236  -0.407  1.00  0.00           C  
HETATM    5  C   UNL     1       3.048  -0.247  -0.165  1.00  0.00           C  
HETATM    6  C   UNL     1       3.350  -1.612  -0.221  1.00  0.00           C  
HETATM    7  C   UNL     1       4.649  -2.024   0.009  1.00  0.00           C  
HETATM    8  C   UNL     1       5.360   0.150   0.339  1.00  0.00           C  
HETATM    9  C   UNL     1       4.081   0.647   0.119  1.00  0.00           C  
HETATM   10  C   UNL     1       6.121   2.453   0.822  1.00  0.00           C  
HETATM   11  C   UNL     1       7.170   3.281   1.567  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.630  -0.200  -0.811  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.962   0.789  -1.758  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.238   1.211  -1.879  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.622  -0.731  -0.013  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.941  -0.270  -0.164  1.00  0.00           C  
HETATM   17  N   UNL     1      -3.221   0.692  -1.095  1.00  0.00           N  
HETATM   18  N   UNL     1      -4.079  -0.583   0.444  1.00  0.00           N  
HETATM   19  C   UNL     1      -6.493   0.073   0.362  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.074   0.144  -0.065  1.00  0.00           C  
HETATM   21  N   UNL     1      -4.599   0.937  -1.006  1.00  0.00           N  
HETATM   22  C   UNL     1      -8.767   0.815   0.154  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.200  -0.877   1.757  1.00  0.00           C  
HETATM   24  N   UNL     1       0.686  -0.643  -0.686  1.00  0.00           N  
HETATM   25  O   UNL     1       1.423   1.425  -0.354  1.00  0.00           O  
HETATM   26  N   UNL     1       5.600  -1.150   0.281  1.00  0.00           N  
HETATM   27 CL   UNL     1       5.035  -3.715  -0.058  1.00  0.00          Cl  
HETATM   28  N   UNL     1       6.400   1.029   0.623  1.00  0.00           N  
HETATM   29  C   UNL     1       6.989   3.456   0.058  1.00  0.00           C  
HETATM   30  H   UNL     1      -7.155   1.573  -1.026  1.00  0.00           H  
HETATM   31  H   UNL     1     -10.177  -0.122   1.458  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.141  -1.440   1.846  1.00  0.00           H  
HETATM   33  H   UNL     1       2.579  -2.335  -0.442  1.00  0.00           H  
HETATM   34  H   UNL     1       3.889   1.709   0.167  1.00  0.00           H  
HETATM   35  H   UNL     1       5.073   2.710   0.977  1.00  0.00           H  
HETATM   36  H   UNL     1       6.812   4.082   2.214  1.00  0.00           H  
HETATM   37  H   UNL     1       8.067   2.766   1.910  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.193   1.211  -2.388  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.481   1.970  -2.608  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.389  -1.490   0.719  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.506   1.448  -0.314  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.501  -1.568   2.531  1.00  0.00           H  
HETATM   43  H   UNL     1       0.894  -1.584  -0.799  1.00  0.00           H  
HETATM   44  H   UNL     1       7.310   0.699   0.689  1.00  0.00           H  
HETATM   45  H   UNL     1       7.767   3.056  -0.592  1.00  0.00           H  
HETATM   46  H   UNL     1       6.512   4.373  -0.289  1.00  0.00           H  
CONECT    1   19   19   22   30                                       
CONECT    2   22   22   23   31                                       
CONECT    3   19   23   23   32                                       
CONECT    4   24    5   25   25                                       
CONECT    5    4    6    6    9                                       
CONECT    6    5    5    7   33                                       
CONECT    7    6   26   26   27                                       
CONECT    8   26    9    9   28                                       
CONECT    9    5    8    8   34                                       
CONECT   10   28   11   29   35                                       
CONECT   11   10   29   36   37                                       
CONECT   12   13   15   15   24                                       
CONECT   13   12   14   14   38                                       
CONECT   14   13   13   17   39                                       
CONECT   15   12   12   16   40                                       
CONECT   16   15   17   18   18                                       
CONECT   17   14   16   21                                            
CONECT   18   16   16   20                                            
CONECT   19   20    1    1    3                                       
CONECT   20   18   19   21   21                                       
CONECT   21   17   20   20                                            
CONECT   22    1    2    2   41                                       
CONECT   23    2    3    3   42                                       
CONECT   24   12    4   43                                            
CONECT   25    4    4                                                 
CONECT   26    7    7    8                                            
CONECT   27    7                                                      
CONECT   28    8   10   44                                            
CONECT   29   10   11   45   46                                       
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    6                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
CONECT   43   24                                                      
CONECT   44   28                                                      
CONECT   45   29                                                      
CONECT   46   29                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
