COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.180  -0.438   0.064  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.052   0.839   0.624  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.127   1.702   0.614  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.331   1.308   0.053  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.465   0.046  -0.503  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.399  -0.828  -0.502  1.00  0.00           C  
HETATM    7  N   UNL     1      -6.480   2.241   0.047  1.00  0.00           N1+
HETATM    8  O   UNL     1      -7.626   1.870  -0.485  1.00  0.00           O  
HETATM    9  O   UNL     1      -6.357   3.441   0.575  1.00  0.00           O1-
HETATM   10  C   UNL     1      -2.033  -1.365   0.065  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.832  -3.195   0.151  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.597  -1.001  -0.078  1.00  0.00           C  
HETATM   13  C   UNL     1       1.420  -2.481  -0.089  1.00  0.00           C  
HETATM   14  C   UNL     1       1.868  -3.780   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.954  -4.812   0.166  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.408  -4.515   0.248  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.082  -2.668   0.197  1.00  0.00           N  
HETATM   18  N   UNL     1       0.091  -2.200  -0.016  1.00  0.00           N  
HETATM   19  N   UNL     1      -0.085   0.216  -0.232  1.00  0.00           N  
HETATM   20  C   UNL     1       1.384   0.175  -0.223  1.00  0.00           C  
HETATM   21  C   UNL     1       1.935   1.601  -0.261  1.00  0.00           C  
HETATM   22  C   UNL     1       3.441   1.558  -0.252  1.00  0.00           C  
HETATM   23  C   UNL     1       4.137   1.505  -1.445  1.00  0.00           C  
HETATM   24  C   UNL     1       5.518   1.466  -1.440  1.00  0.00           C  
HETATM   25  C   UNL     1       6.207   1.479  -0.235  1.00  0.00           C  
HETATM   26  C   UNL     1       5.506   1.533   0.961  1.00  0.00           C  
HETATM   27  C   UNL     1       4.125   1.578   0.950  1.00  0.00           C  
HETATM   28  O   UNL     1       7.565   1.440  -0.227  1.00  0.00           O  
HETATM   29  C   UNL     1       8.207   1.457   1.049  1.00  0.00           C  
HETATM   30  H   UNL     1      -2.115   1.147   1.062  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.030   2.687   1.045  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.407  -0.253  -0.938  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.505  -1.811  -0.936  1.00  0.00           H  
HETATM   34  H   UNL     1       2.130  -1.678  -0.219  1.00  0.00           H  
HETATM   35  H   UNL     1       2.925  -3.994  -0.060  1.00  0.00           H  
HETATM   36  H   UNL     1       1.294  -5.835   0.237  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.129  -5.308   0.383  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.433   0.847   0.475  1.00  0.00           H  
HETATM   39  H   UNL     1       1.728  -0.324   0.683  1.00  0.00           H  
HETATM   40  H   UNL     1       1.737  -0.374  -1.097  1.00  0.00           H  
HETATM   41  H   UNL     1       1.591   2.100  -1.166  1.00  0.00           H  
HETATM   42  H   UNL     1       1.582   2.150   0.613  1.00  0.00           H  
HETATM   43  H   UNL     1       3.601   1.494  -2.382  1.00  0.00           H  
HETATM   44  H   UNL     1       6.061   1.424  -2.372  1.00  0.00           H  
HETATM   45  H   UNL     1       6.040   1.543   1.900  1.00  0.00           H  
HETATM   46  H   UNL     1       3.579   1.624   1.881  1.00  0.00           H  
HETATM   47  H   UNL     1       9.288   1.422   0.913  1.00  0.00           H  
HETATM   48  H   UNL     1       7.937   2.371   1.579  1.00  0.00           H  
HETATM   49  H   UNL     1       7.886   0.592   1.629  1.00  0.00           H  
CONECT    1    2   10    6    6                                       
CONECT    2    3    3    1   30                                       
CONECT    3    2    2    4   31                                       
CONECT    4    3    7    5    5                                       
CONECT    5    4    4    6   32                                       
CONECT    6    1    1    5   33                                       
CONECT    7    8    8    4    9                                       
CONECT    8    7    7                                                 
CONECT    9    7                                                      
CONECT   10   12   12    1   17                                       
CONECT   11   18   16   17   17                                       
CONECT   12   19   18   10   10                                       
CONECT   13   14   14   18   34                                       
CONECT   14   13   13   15   35                                       
CONECT   15   14   16   16   36                                       
CONECT   16   15   15   11   37                                       
CONECT   17   11   11   10                                            
CONECT   18   13   12   11                                            
CONECT   19   20   12   38                                            
CONECT   20   19   21   39   40                                       
CONECT   21   20   22   41   42                                       
CONECT   22   21   27   27   23                                       
CONECT   23   22   24   24   43                                       
CONECT   24   23   23   25   44                                       
CONECT   25   26   26   24   28                                       
CONECT   26   27   25   25   45                                       
CONECT   27   22   22   26   46                                       
CONECT   28   25   29                                                 
CONECT   29   28   47   48   49                                       
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
CONECT   47   29                                                      
CONECT   48   29                                                      
CONECT   49   29                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
