COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.432  -4.662   0.324  1.00  0.00           C  
HETATM    2  C   UNL     1       2.933  -4.597   0.193  1.00  0.00           C  
HETATM    3  C   UNL     1       2.230  -3.265   0.233  1.00  0.00           C  
HETATM    4  C   UNL     1       0.723  -3.478   0.079  1.00  0.00           C  
HETATM    5  C   UNL     1       0.009  -2.125   0.119  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.181  -1.219  -0.009  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.384   2.304   0.306  1.00  0.00           C  
HETATM    8  C   UNL     1       2.744   1.882  -1.925  1.00  0.00           C  
HETATM    9  C   UNL     1       1.686   2.609   1.481  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.741   1.031   0.023  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.170  -2.639  -0.307  1.00  0.00           C  
HETATM   12  O   UNL     1       2.294  -5.613   0.055  1.00  0.00           O  
HETATM   13  O   UNL     1      -1.399  -2.325  -0.024  1.00  0.00           O  
HETATM   14  N   UNL     1      -1.629  -0.027   0.134  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.356   1.079   0.154  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.742   2.279   0.303  1.00  0.00           O  
HETATM   17  C   UNL     1       0.318   2.059  -0.868  1.00  0.00           C  
HETATM   18  C   UNL     1       1.694   2.091  -0.861  1.00  0.00           C  
HETATM   19  O   UNL     1       3.981   1.631  -1.235  1.00  0.00           O  
HETATM   20  B   UNL     1       3.896   2.314  -0.042  1.00  0.00           B1-
HETATM   21  O   UNL     1       4.588   1.649   0.931  1.00  0.00           O  
HETATM   22  O   UNL     1       4.387   3.581  -0.190  1.00  0.00           O  
HETATM   23  C   UNL     1       2.379   2.365   0.315  1.00  0.00           C  
HETATM   24  C   UNL     1       0.304   2.579   1.480  1.00  0.00           C  
HETATM   25 CL   UNL     1      -4.676   2.493   0.050  1.00  0.00          Cl  
HETATM   26  C   UNL     1      -4.364  -0.191  -0.140  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.571  -1.347  -0.152  1.00  0.00           C  
HETATM   28  N   UNL     1      -4.645  -3.663  -0.430  1.00  0.00           N  
HETATM   29  H   UNL     1       4.887  -4.598  -0.664  1.00  0.00           H  
HETATM   30  H   UNL     1       4.780  -3.831   0.938  1.00  0.00           H  
HETATM   31  H   UNL     1       4.715  -5.604   0.794  1.00  0.00           H  
HETATM   32  H   UNL     1       2.432  -2.776   1.186  1.00  0.00           H  
HETATM   33  H   UNL     1       2.593  -2.638  -0.581  1.00  0.00           H  
HETATM   34  H   UNL     1       0.521  -3.967  -0.874  1.00  0.00           H  
HETATM   35  H   UNL     1       0.359  -4.105   0.893  1.00  0.00           H  
HETATM   36  H   UNL     1       0.211  -1.637   1.072  1.00  0.00           H  
HETATM   37  H   UNL     1       0.372  -1.498  -0.695  1.00  0.00           H  
HETATM   38  H   UNL     1       2.482   1.024  -2.545  1.00  0.00           H  
HETATM   39  H   UNL     1       2.836   2.775  -2.543  1.00  0.00           H  
HETATM   40  H   UNL     1       2.222   2.823   2.394  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.215   1.845  -1.782  1.00  0.00           H  
HETATM   42  H   UNL     1       5.533   1.558   0.749  1.00  0.00           H  
HETATM   43  H   UNL     1       5.320   3.615  -0.443  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.241   2.775   2.391  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.437  -0.255  -0.243  1.00  0.00           H  
CONECT    1    2   29   30   31                                       
CONECT    2    3    1   12   12                                       
CONECT    3    4    2   32   33                                       
CONECT    4    5    3   34   35                                       
CONECT    5   13    4   36   37                                       
CONECT    6   27   27   14   13                                       
CONECT    7   16   17   17   24                                       
CONECT    8   18   19   38   39                                       
CONECT    9   24   24   23   40                                       
CONECT   10   25   26   26   15                                       
CONECT   11   28   28   28   27                                       
CONECT   12    2    2                                                 
CONECT   13    6    5                                                 
CONECT   14   15   15    6                                            
CONECT   15   10   16   14   14                                       
CONECT   16   15    7                                                 
CONECT   17    7    7   18   41                                       
CONECT   18   17    8   23   23                                       
CONECT   19    8   20                                                 
CONECT   20   23   19   22   21                                       
CONECT   21   20   42                                                 
CONECT   22   20   43                                                 
CONECT   23   18   18    9   20                                       
CONECT   24    7    9    9   44                                       
CONECT   25   10                                                      
CONECT   26   10   10   27   45                                       
CONECT   27   26   11    6    6                                       
CONECT   28   11   11   11                                            
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   17                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   24                                                      
CONECT   45   26                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
