COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.376   1.262   0.082  1.00  0.00           C  
HETATM    2  O   UNL     1      -5.021   0.053   0.756  1.00  0.00           O  
HETATM    3  C   UNL     1      -3.663   0.016   0.805  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.022  -1.056   1.410  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.644  -1.098   1.462  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.921   1.051   0.253  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.543   1.018   0.306  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.895  -0.060   0.907  1.00  0.00           C  
HETATM    9  C   UNL     1       0.583  -0.100   0.962  1.00  0.00           C  
HETATM   10  C   UNL     1       1.411   0.000   2.114  1.00  0.00           C  
HETATM   11  C   UNL     1       0.954   0.160   3.508  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.234   0.224   3.755  1.00  0.00           O  
HETATM   13  N   UNL     1       1.854   0.236   4.508  1.00  0.00           N  
HETATM   14  C   UNL     1       1.401   0.396   5.892  1.00  0.00           C  
HETATM   15  C   UNL     1       2.614   0.454   6.823  1.00  0.00           C  
HETATM   16  N   UNL     1       2.660  -0.084   1.707  1.00  0.00           N  
HETATM   17  N   UNL     1       2.721  -0.220   0.432  1.00  0.00           N  
HETATM   18  C   UNL     1       1.467  -0.235  -0.102  1.00  0.00           C  
HETATM   19  C   UNL     1       1.116  -0.373  -1.530  1.00  0.00           C  
HETATM   20  C   UNL     1       1.463   0.629  -2.437  1.00  0.00           C  
HETATM   21  C   UNL     1       1.134   0.496  -3.769  1.00  0.00           C  
HETATM   22 CL   UNL     1       1.567   1.743  -4.897  1.00  0.00          Cl  
HETATM   23  C   UNL     1       0.457  -0.634  -4.213  1.00  0.00           C  
HETATM   24  O   UNL     1       0.136  -0.759  -5.527  1.00  0.00           O  
HETATM   25  C   UNL     1       0.109  -1.635  -3.318  1.00  0.00           C  
HETATM   26  C   UNL     1       0.439  -1.514  -1.980  1.00  0.00           C  
HETATM   27  O   UNL     1       0.099  -2.494  -1.103  1.00  0.00           O  
HETATM   28  H   UNL     1      -6.461   1.337   0.018  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.985   2.115   0.638  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.952   1.258  -0.921  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.602  -1.860   1.839  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.146  -1.933   1.932  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.423   1.884  -0.216  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.967   1.824  -0.124  1.00  0.00           H  
HETATM   35  H   UNL     1       2.803   0.184   4.311  1.00  0.00           H  
HETATM   36  H   UNL     1       0.771  -0.449   6.168  1.00  0.00           H  
HETATM   37  H   UNL     1       0.829   1.319   5.982  1.00  0.00           H  
HETATM   38  H   UNL     1       2.276   0.573   7.852  1.00  0.00           H  
HETATM   39  H   UNL     1       3.186  -0.469   6.732  1.00  0.00           H  
HETATM   40  H   UNL     1       3.243   1.300   6.547  1.00  0.00           H  
HETATM   41  H   UNL     1       3.542  -0.301  -0.077  1.00  0.00           H  
HETATM   42  H   UNL     1       1.989   1.508  -2.095  1.00  0.00           H  
HETATM   43  H   UNL     1       0.879  -1.207  -5.955  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.416  -2.512  -3.667  1.00  0.00           H  
HETATM   45  H   UNL     1       0.866  -3.078  -1.024  1.00  0.00           H  
CONECT    1    2   28   29   30                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4    6                                       
CONECT    4    3    3    5   31                                       
CONECT    5    4    8    8   32                                       
CONECT    6    3    7    7   33                                       
CONECT    7    6    6    8   34                                       
CONECT    8    5    5    7    9                                       
CONECT    9    8   10   18   18                                       
CONECT   10    9   11   16   16                                       
CONECT   11   10   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   35                                            
CONECT   14   13   15   36   37                                       
CONECT   15   14   38   39   40                                       
CONECT   16   10   10   17                                            
CONECT   17   16   18   41                                            
CONECT   18    9    9   17   19                                       
CONECT   19   18   20   20   26                                       
CONECT   20   19   19   21   42                                       
CONECT   21   20   22   23   23                                       
CONECT   22   21                                                      
CONECT   23   21   21   24   25                                       
CONECT   24   23   43                                                 
CONECT   25   23   26   26   44                                       
CONECT   26   19   25   25   27                                       
CONECT   27   26   45                                                 
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   17                                                      
CONECT   42   20                                                      
CONECT   43   24                                                      
CONECT   44   25                                                      
CONECT   45   27                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
