COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.874   1.644   0.447  1.00  0.00           C  
HETATM    2  C   UNL     1       5.073   0.998   0.206  1.00  0.00           C  
HETATM    3  C   UNL     1       5.080  -0.318  -0.219  1.00  0.00           C  
HETATM    4  C   UNL     1       3.889  -0.992  -0.404  1.00  0.00           C  
HETATM    5  C   UNL     1       2.683  -0.346  -0.162  1.00  0.00           C  
HETATM    6  C   UNL     1       2.679   0.975   0.264  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.313   0.886  -1.509  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.252  -0.561   1.368  1.00  0.00           C  
HETATM    9  O   UNL     1       6.108   3.065   0.845  1.00  0.00           O  
HETATM   10  O   UNL     1       6.373  -2.164  -0.850  1.00  0.00           O  
HETATM   11  O   UNL     1       7.417  -0.411  -0.312  1.00  0.00           O1-
HETATM   12  C   UNL     1      -7.346   1.957  -0.843  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.287   1.819  -1.730  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.383   0.065  -0.383  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.939  -0.990  -0.914  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.429   1.163   0.280  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.776  -0.768   1.288  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.452   0.204   0.522  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.119  -1.439   1.280  1.00  0.00           C  
HETATM   20  C   UNL     1       6.374   1.731   0.407  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.270  -1.539  -0.466  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.542  -1.012   0.147  1.00  0.00           C  
HETATM   23  C   UNL     1       0.205  -0.343  -0.093  1.00  0.00           C  
HETATM   24  N   UNL     1      -6.256  -0.719   1.526  1.00  0.00           N  
HETATM   25  N   UNL     1       1.476  -1.025  -0.348  1.00  0.00           N  
HETATM   26  N   UNL     1      -2.157  -0.640  -0.135  1.00  0.00           N  
HETATM   27  N   UNL     1       6.366  -1.005  -0.475  1.00  0.00           N1+
HETATM   28  H   UNL     1       3.872   2.670   0.783  1.00  0.00           H  
HETATM   29  H   UNL     1       3.895  -2.019  -0.736  1.00  0.00           H  
HETATM   30  H   UNL     1       1.743   1.479   0.457  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.494   0.782  -2.206  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.020   0.316   1.972  1.00  0.00           H  
HETATM   33  H   UNL     1       0.228  -1.446   1.786  1.00  0.00           H  
HETATM   34  H   UNL     1       6.902   3.596   0.994  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.108   2.699  -1.031  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.232   2.455  -2.602  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.985  -0.560  -1.915  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.812  -2.071  -0.965  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.257   1.278   0.965  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.036  -1.761   1.654  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.285  -0.009   1.882  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.739  -2.230   1.910  1.00  0.00           H  
HETATM   43  H   UNL     1       6.970   1.214   1.160  1.00  0.00           H  
HETATM   44  H   UNL     1       6.924   1.760  -0.534  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.063  -2.534  -0.073  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.384  -1.593  -1.549  1.00  0.00           H  
HETATM   47  H   UNL     1       0.288   0.720  -0.318  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.839  -0.841   2.291  1.00  0.00           H  
HETATM   49  H   UNL     1       1.480  -1.948  -0.646  1.00  0.00           H  
CONECT    1    2    2    6   28                                       
CONECT    2    3   20    1    1                                       
CONECT    3   27    4    4    2                                       
CONECT    4    3    3    5   29                                       
CONECT    5    4   25    6    6                                       
CONECT    6    5    5    1   30                                       
CONECT    7   13   14   14   31                                       
CONECT    8   17   23   32   33                                       
CONECT    9   20   34                                                 
CONECT   10   27   27                                                 
CONECT   11   27                                                      
CONECT   12   13   13   16   35                                       
CONECT   13   12   12    7   36                                       
CONECT   14    7    7   18   22                                       
CONECT   15   26   23   37   38                                       
CONECT   16   12   18   18   39                                       
CONECT   17   26    8   40   41                                       
CONECT   18   16   16   14   24                                       
CONECT   19   24   22   22   42                                       
CONECT   20    2    9   43   44                                       
CONECT   21   22   26   45   46                                       
CONECT   22   14   19   19   21                                       
CONECT   23   15   25    8   47                                       
CONECT   24   18   19   48                                            
CONECT   25    5   23   49                                            
CONECT   26   21   15   17                                            
CONECT   27   11   10   10    3                                       
CONECT   28    1                                                      
CONECT   29    4                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
