COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.128  -1.768   0.068  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.293  -4.218   0.271  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.972  -4.636   0.290  1.00  0.00           C  
HETATM    4  C   UNL     1       0.050  -3.715   0.219  1.00  0.00           C  
HETATM    5  C   UNL     1       0.843  -1.361   0.050  1.00  0.00           C  
HETATM    6  C   UNL     1       3.159  -0.838  -0.102  1.00  0.00           C  
HETATM    7  C   UNL     1       4.052   1.364   0.241  1.00  0.00           C  
HETATM    8  C   UNL     1       4.311  -1.195  -0.791  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.268  -0.262   0.005  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.489   1.990  -1.219  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.463   1.497  -2.643  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.246  -2.352   0.127  1.00  0.00           C  
HETATM   13  C   UNL     1       5.204   0.999  -0.443  1.00  0.00           C  
HETATM   14  C   UNL     1       5.329  -0.276  -0.959  1.00  0.00           C  
HETATM   15  C   UNL     1       5.028   3.511   0.541  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.405   1.235  -0.098  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.476   2.177   0.954  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.435   1.884   2.432  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.583  -1.934   0.108  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.599  -2.875   0.175  1.00  0.00           C  
HETATM   21  C   UNL     1       3.029   0.445   0.412  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.590   3.346   0.394  1.00  0.00           N  
HETATM   23  O   UNL     1      -1.883  -0.614   0.019  1.00  0.00           O  
HETATM   24  O   UNL     1       0.582  -0.176  -0.030  1.00  0.00           O  
HETATM   25  O   UNL     1       3.931   2.619   0.748  1.00  0.00           O  
HETATM   26  O   UNL     1      -3.593   3.263  -0.812  1.00  0.00           O  
HETATM   27  H   UNL     1       2.338  -2.705   0.204  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.087  -4.948   0.327  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.743  -5.689   0.362  1.00  0.00           H  
HETATM   30  H   UNL     1       1.078  -4.045   0.235  1.00  0.00           H  
HETATM   31  H   UNL     1       4.411  -2.192  -1.195  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.740  -0.608   0.924  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.753  -0.731  -0.851  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.480   1.285  -2.973  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.025   2.262  -3.284  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.865   0.588  -2.702  1.00  0.00           H  
HETATM   37  H   UNL     1       6.003   1.714  -0.572  1.00  0.00           H  
HETATM   38  H   UNL     1       6.224  -0.556  -1.495  1.00  0.00           H  
HETATM   39  H   UNL     1       5.192   3.642  -0.529  1.00  0.00           H  
HETATM   40  H   UNL     1       4.802   4.476   0.994  1.00  0.00           H  
HETATM   41  H   UNL     1       5.926   3.096   0.998  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.448   1.719   2.798  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.834   0.992   2.609  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.992   2.730   2.958  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.631  -2.557   0.160  1.00  0.00           H  
HETATM   46  H   UNL     1       2.133   0.727   0.944  1.00  0.00           H  
CONECT    1    5    6   27                                            
CONECT    2   20    3    3   28                                       
CONECT    3    2    2    4   29                                       
CONECT    4    3   12   12   30                                       
CONECT    5   12    1   24   24                                       
CONECT    6    1    8    8   21                                       
CONECT    7   21   21   13   25                                       
CONECT    8    6    6   14   31                                       
CONECT    9   16   23   32   33                                       
CONECT   10   16   16   26   11                                       
CONECT   11   10   34   35   36                                       
CONECT   12   19    4    4    5                                       
CONECT   13   14   14    7   37                                       
CONECT   14    8   13   13   38                                       
CONECT   15   25   39   40   41                                       
CONECT   16   17    9   10   10                                       
CONECT   17   18   22   22   16                                       
CONECT   18   17   42   43   44                                       
CONECT   19   20   20   23   12                                       
CONECT   20    2   19   19   45                                       
CONECT   21    6    7    7   46                                       
CONECT   22   17   17   26                                            
CONECT   23    9   19                                                 
CONECT   24    5    5                                                 
CONECT   25    7   15                                                 
CONECT   26   22   10                                                 
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
