COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.800  -0.739   0.090  1.00  0.00           C  
HETATM    2  C   UNL     1       3.655  -1.523   0.256  1.00  0.00           C  
HETATM    3  C   UNL     1       2.410  -0.936   0.227  1.00  0.00           C  
HETATM    4  C   UNL     1       2.292   0.440   0.031  1.00  0.00           C  
HETATM    5  C   UNL     1       4.680   0.639  -0.107  1.00  0.00           C  
HETATM    6  C   UNL     1       0.951   1.071   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.964   4.006  -0.258  1.00  0.00           C  
HETATM    8  C   UNL     1       0.849   2.438  -0.201  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.427   3.023  -0.229  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.614   4.403  -0.429  1.00  0.00           C  
HETATM   11  C   UNL     1       6.136  -1.367   0.127  1.00  0.00           C  
HETATM   12  O   UNL     1       6.240  -2.564   0.303  1.00  0.00           O  
HETATM   13  O   UNL     1       7.240  -0.611  -0.034  1.00  0.00           O  
HETATM   14  C   UNL     1       3.434   1.224  -0.136  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.131   0.310   0.161  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.894   4.881  -0.440  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.782   2.720  -0.072  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.560   2.190  -0.050  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.354   0.802   0.145  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.515  -0.099   0.329  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.481  -1.398  -0.178  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.645   0.346   1.015  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.723  -0.498   1.184  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.685  -1.784   0.675  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.565  -2.233  -0.002  1.00  0.00           C  
HETATM   26  N   UNL     1      -3.531  -3.612  -0.539  1.00  0.00           N1+
HETATM   27  O   UNL     1      -2.546  -4.009  -1.136  1.00  0.00           O  
HETATM   28  O   UNL     1      -4.488  -4.350  -0.385  1.00  0.00           O1-
HETATM   29  H   UNL     1       3.747  -2.588   0.408  1.00  0.00           H  
HETATM   30  H   UNL     1       1.525  -1.541   0.355  1.00  0.00           H  
HETATM   31  H   UNL     1       5.565   1.245  -0.235  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.970   4.398  -0.269  1.00  0.00           H  
HETATM   33  H   UNL     1       1.735   3.042  -0.334  1.00  0.00           H  
HETATM   34  H   UNL     1       0.229   5.064  -0.568  1.00  0.00           H  
HETATM   35  H   UNL     1       8.092  -1.066  -0.002  1.00  0.00           H  
HETATM   36  H   UNL     1       3.341   2.289  -0.287  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.076   5.934  -0.591  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.608  -1.750  -0.706  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.676   1.350   1.413  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.599  -0.155   1.716  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.532  -2.441   0.810  1.00  0.00           H  
CONECT    1   11    2    2    5                                       
CONECT    2    1    1    3   29                                       
CONECT    3    2    4    4   30                                       
CONECT    4    3    3   14    6                                       
CONECT    5    1   14   14   31                                       
CONECT    6    4   15   15    8                                       
CONECT    7   17   17   16   32                                       
CONECT    8    6    9    9   33                                       
CONECT    9    8    8   18   10                                       
CONECT   10    9   16   16   34                                       
CONECT   11   12   12   13    1                                       
CONECT   12   11   11                                                 
CONECT   13   11   35                                                 
CONECT   14    5    5    4   36                                       
CONECT   15    6    6   19                                            
CONECT   16   10   10    7   37                                       
CONECT   17   18    7    7                                            
CONECT   18   19   19    9   17                                       
CONECT   19   15   20   18   18                                       
CONECT   20   21   19   22   22                                       
CONECT   21   25   25   20   38                                       
CONECT   22   20   20   23   39                                       
CONECT   23   24   24   22   40                                       
CONECT   24   25   23   23   41                                       
CONECT   25   26   21   21   24                                       
CONECT   26   28   27   27   25                                       
CONECT   27   26   26                                                 
CONECT   28   26                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    5                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34   10                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   16                                                      
CONECT   38   21                                                      
CONECT   39   22                                                      
CONECT   40   23                                                      
CONECT   41   24                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
