COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.895  -0.578   0.006  1.00  0.00           C  
HETATM    2  C   UNL     1       4.149  -1.942   0.004  1.00  0.00           C  
HETATM    3  C   UNL     1       5.451  -2.402  -0.002  1.00  0.00           C  
HETATM    4  C   UNL     1       6.503  -1.505  -0.005  1.00  0.00           C  
HETATM    5  C   UNL     1       6.253  -0.143  -0.002  1.00  0.00           C  
HETATM    6  C   UNL     1       4.951   0.322   0.002  1.00  0.00           C  
HETATM    7  C   UNL     1       4.680   1.804   0.004  1.00  0.00           C  
HETATM    8  O   UNL     1       2.614  -0.124   0.005  1.00  0.00           O  
HETATM    9 CL   UNL     1       7.576   0.981  -0.005  1.00  0.00          Cl  
HETATM   10  C   UNL     1      -7.678  -1.518  -0.005  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.474  -0.387  -0.003  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.897   0.871   0.001  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.524   1.003   0.002  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.717  -0.133   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.303  -1.397  -0.003  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.239   0.003   0.001  1.00  0.00           C  
HETATM   17  N   UNL     1      -3.366  -1.013   0.000  1.00  0.00           N  
HETATM   18  N   UNL     1      -3.578   1.140  -0.001  1.00  0.00           N  
HETATM   19  N   UNL     1      -2.214   0.817   0.001  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.137  -0.543   0.001  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.909  -1.163   0.001  1.00  0.00           N  
HETATM   22  C   UNL     1       0.235  -0.422   0.003  1.00  0.00           C  
HETATM   23  C   UNL     1       0.166   0.929   0.005  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.095   1.562  -0.001  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.169   2.778  -0.005  1.00  0.00           O  
HETATM   26  C   UNL     1       1.577  -1.107   0.003  1.00  0.00           C  
HETATM   27  H   UNL     1       3.328  -2.644   0.007  1.00  0.00           H  
HETATM   28  H   UNL     1       5.649  -3.464  -0.004  1.00  0.00           H  
HETATM   29  H   UNL     1       7.520  -1.866  -0.009  1.00  0.00           H  
HETATM   30  H   UNL     1       4.618   2.161   1.032  1.00  0.00           H  
HETATM   31  H   UNL     1       5.488   2.322  -0.512  1.00  0.00           H  
HETATM   32  H   UNL     1       3.737   2.001  -0.506  1.00  0.00           H  
HETATM   33  H   UNL     1      -8.133  -2.497  -0.003  1.00  0.00           H  
HETATM   34  H   UNL     1      -9.549  -0.485  -0.004  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.524   1.751   0.002  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.075   1.985   0.005  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.682  -2.281  -0.005  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.856  -2.132  -0.001  1.00  0.00           H  
HETATM   39  H   UNL     1       1.071   1.519   0.008  1.00  0.00           H  
HETATM   40  H   UNL     1       1.668  -1.728  -0.888  1.00  0.00           H  
HETATM   41  H   UNL     1       1.666  -1.731   0.892  1.00  0.00           H  
CONECT    1    2    2    6    8                                       
CONECT    2    1    1    3   27                                       
CONECT    3    2    4    4   28                                       
CONECT    4    3    3    5   29                                       
CONECT    5    4    6    6    9                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6   30   31   32                                       
CONECT    8    1   26                                                 
CONECT    9    5                                                      
CONECT   10   11   11   15   33                                       
CONECT   11   10   10   12   34                                       
CONECT   12   11   13   13   35                                       
CONECT   13   12   12   14   36                                       
CONECT   14   13   15   15   16                                       
CONECT   15   10   14   14   37                                       
CONECT   16   14   17   18   18                                       
CONECT   17   16   20   20                                            
CONECT   18   16   16   19                                            
CONECT   19   18   20   24                                            
CONECT   20   17   17   19   21                                       
CONECT   21   20   22   38                                            
CONECT   22   21   23   23   26                                       
CONECT   23   22   22   24   39                                       
CONECT   24   19   23   25   25                                       
CONECT   25   24   24                                                 
CONECT   26    8   22   40   41                                       
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   15                                                      
CONECT   38   21                                                      
CONECT   39   23                                                      
CONECT   40   26                                                      
CONECT   41   26                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
