COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -5.675   1.460  -2.184  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.134   1.156   0.367  1.00  0.00           C  
HETATM    3  O   UNL     1      -6.621  -2.125   1.854  1.00  0.00           O  
HETATM    4  C   UNL     1      -6.648  -0.415   0.227  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.183  -1.662   0.884  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.806  -3.473   1.033  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.756   0.904   0.014  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.691  -0.268   0.869  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.088   0.409  -1.414  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.356   1.702  -0.062  1.00  0.00           C  
HETATM   11  O   UNL     1      -5.486   0.073   0.932  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.235   3.555  -0.832  1.00  0.00           C  
HETATM   13  C   UNL     1       0.038   1.900   0.152  1.00  0.00           C  
HETATM   14  C   UNL     1       2.481   2.203   0.320  1.00  0.00           C  
HETATM   15  N   UNL     1      -8.286  -2.261   0.394  1.00  0.00           N  
HETATM   16  C   UNL     1      -6.106  -0.735  -1.190  1.00  0.00           C  
HETATM   17  O   UNL     1      -7.154  -0.682  -2.160  1.00  0.00           O  
HETATM   18  C   UNL     1       3.678   1.455   0.847  1.00  0.00           C  
HETATM   19  C   UNL     1       4.366   0.584   0.024  1.00  0.00           C  
HETATM   20  C   UNL     1       5.464  -0.103   0.507  1.00  0.00           C  
HETATM   21  C   UNL     1       5.874   0.082   1.815  1.00  0.00           C  
HETATM   22  C   UNL     1       5.186   0.953   2.638  1.00  0.00           C  
HETATM   23  C   UNL     1       4.091   1.643   2.153  1.00  0.00           C  
HETATM   24  I   UNL     1       6.507  -1.424  -0.741  1.00  0.00           I  
HETATM   25  N   UNL     1      -3.319   0.783   0.268  1.00  0.00           N  
HETATM   26  N   UNL     1      -1.411  -0.045   0.931  1.00  0.00           N  
HETATM   27  N   UNL     1      -2.358   2.894  -0.651  1.00  0.00           N  
HETATM   28  N   UNL     1      -0.064   3.082  -0.446  1.00  0.00           N  
HETATM   29  N   UNL     1       1.269   1.413   0.554  1.00  0.00           N  
HETATM   30  H   UNL     1      -5.903   1.205  -3.088  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.419   0.353   0.179  1.00  0.00           H  
HETATM   32  H   UNL     1      -9.695  -3.810   0.501  1.00  0.00           H  
HETATM   33  H   UNL     1      -8.046  -4.254   1.003  1.00  0.00           H  
HETATM   34  H   UNL     1      -9.063  -3.255   2.070  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.066   1.943   0.128  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.185  -1.153   1.242  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.190   0.033  -1.905  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.272   4.521  -1.315  1.00  0.00           H  
HETATM   39  H   UNL     1       2.395   3.160   0.835  1.00  0.00           H  
HETATM   40  H   UNL     1       2.602   2.376  -0.749  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.735  -1.891  -0.382  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.611  -1.706  -1.208  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.818  -1.378  -2.061  1.00  0.00           H  
HETATM   44  H   UNL     1       4.045   0.440  -0.998  1.00  0.00           H  
HETATM   45  H   UNL     1       6.732  -0.455   2.193  1.00  0.00           H  
HETATM   46  H   UNL     1       5.506   1.097   3.660  1.00  0.00           H  
HETATM   47  H   UNL     1       3.554   2.324   2.797  1.00  0.00           H  
HETATM   48  H   UNL     1       1.331   0.549   0.990  1.00  0.00           H  
CONECT    1    9   30                                                 
CONECT    2   26   13   13   10                                       
CONECT    3    5    5                                                 
CONECT    4    5   16   11   31                                       
CONECT    5    3    3   15    4                                       
CONECT    6   15   32   33   34                                       
CONECT    7   25    9   11   35                                       
CONECT    8   26   26   25   36                                       
CONECT    9    1    7   16   37                                       
CONECT   10    2   25   27   27                                       
CONECT   11    7    4                                                 
CONECT   12   28   28   27   38                                       
CONECT   13   29    2    2   28                                       
CONECT   14   18   29   39   40                                       
CONECT   15    6    5   41                                            
CONECT   16    9    4   17   42                                       
CONECT   17   16   43                                                 
CONECT   18   19   19   23   14                                       
CONECT   19   20   18   18   44                                       
CONECT   20   24   21   21   19                                       
CONECT   21   20   20   22   45                                       
CONECT   22   21   23   23   46                                       
CONECT   23   22   22   18   47                                       
CONECT   24   20                                                      
CONECT   25    8   10    7                                            
CONECT   26    8    8    2                                            
CONECT   27   10   10   12                                            
CONECT   28   13   12   12                                            
CONECT   29   14   13   48                                            
CONECT   30    1                                                      
CONECT   31    4                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   12                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   19                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   29                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
