COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.663   1.680  -0.026  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.323   3.065   0.179  1.00  0.00           N  
HETATM    3  O   UNL     1       1.056   2.500  -0.821  1.00  0.00           O  
HETATM    4  C   UNL     1      -0.750   1.749   0.493  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.590   0.656  -0.171  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.831  -0.448  -0.218  1.00  0.00           C  
HETATM    7  N   UNL     1      -5.172  -0.458   0.372  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.991   0.645   0.445  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.105  -1.358  -0.066  1.00  0.00           C  
HETATM   10  N   UNL     1      -5.794  -2.224  -1.029  1.00  0.00           N  
HETATM   11  N   UNL     1      -7.324  -1.367   0.470  1.00  0.00           N1+
HETATM   12  C   UNL     1       6.173  -1.307   0.042  1.00  0.00           C  
HETATM   13  O   UNL     1       5.779  -2.130   0.834  1.00  0.00           O  
HETATM   14  C   UNL     1       5.251  -0.211  -0.427  1.00  0.00           C  
HETATM   15  C   UNL     1       3.886  -0.370   0.246  1.00  0.00           C  
HETATM   16  C   UNL     1       2.950   0.743  -0.230  1.00  0.00           C  
HETATM   17  C   UNL     1       1.585   0.585   0.443  1.00  0.00           C  
HETATM   18  H   UNL     1      -0.824   3.800   0.658  1.00  0.00           H  
HETATM   19  H   UNL     1      -1.335   3.227  -0.817  1.00  0.00           H  
HETATM   20  H   UNL     1      -0.749   1.601   1.572  1.00  0.00           H  
HETATM   21  H   UNL     1      -1.665   0.854  -1.240  1.00  0.00           H  
HETATM   22  H   UNL     1      -1.116  -0.312  -0.013  1.00  0.00           H  
HETATM   23  H   UNL     1      -3.357  -1.416  -0.060  1.00  0.00           H  
HETATM   24  H   UNL     1      -3.906  -0.250  -1.288  1.00  0.00           H  
HETATM   25  H   UNL     1      -5.398   0.172   1.073  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.916   0.447   1.514  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.465   1.614   0.287  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.906  -2.217  -1.420  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.456  -2.862  -1.340  1.00  0.00           H  
HETATM   30  H   UNL     1      -7.550  -0.737   1.171  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.985  -2.005   0.159  1.00  0.00           H  
HETATM   32  O   UNL     1       7.432  -1.368  -0.419  1.00  0.00           O  
HETATM   33  H   UNL     1       5.675   0.758  -0.164  1.00  0.00           H  
HETATM   34  H   UNL     1       5.132  -0.274  -1.509  1.00  0.00           H  
HETATM   35  H   UNL     1       3.462  -1.339  -0.016  1.00  0.00           H  
HETATM   36  H   UNL     1       4.005  -0.306   1.328  1.00  0.00           H  
HETATM   37  H   UNL     1       3.374   1.712   0.033  1.00  0.00           H  
HETATM   38  H   UNL     1       2.831   0.680  -1.312  1.00  0.00           H  
HETATM   39  H   UNL     1       1.704   0.648   1.525  1.00  0.00           H  
HETATM   40  H   UNL     1       1.161  -0.384   0.181  1.00  0.00           H  
HETATM   41  H   UNL     1       7.986  -2.089  -0.090  1.00  0.00           H  
CONECT    1    4    3    3   17                                       
CONECT    2   18   19    4                                            
CONECT    3    1    1                                                 
CONECT    4    1    2    5   20                                       
CONECT    5    4    8   21   22                                       
CONECT    6    7   23   24    8                                       
CONECT    7    6    9   25                                            
CONECT    8    5    6   26   27                                       
CONECT    9    7   10   11   11                                       
CONECT   10    9   28   29                                            
CONECT   11    9    9   30   31                                       
CONECT   12   13   13   14   32                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   33   34                                       
CONECT   15   14   16   35   36                                       
CONECT   16   15   17   37   38                                       
CONECT   17   16    1   39   40                                       
CONECT   18    2                                                      
CONECT   19    2                                                      
CONECT   20    4                                                      
CONECT   21    5                                                      
CONECT   22    5                                                      
CONECT   23    6                                                      
CONECT   24    6                                                      
CONECT   25    7                                                      
CONECT   26    8                                                      
CONECT   27    8                                                      
CONECT   28   10                                                      
CONECT   29   10                                                      
CONECT   30   11                                                      
CONECT   31   11                                                      
CONECT   32   12   41                                                 
CONECT   33   14                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   32                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
