COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.042   0.241  -0.078  1.00  0.00           C  
HETATM    2  C   UNL     1       4.600   0.363   0.914  1.00  0.00           C  
HETATM    3  C   UNL     1       3.841   1.873  -1.285  1.00  0.00           C  
HETATM    4  C   UNL     1       3.123   0.743  -0.942  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.924  -4.285  -0.081  1.00  0.00           C  
HETATM    6  C   UNL     1       0.088  -5.426  -0.208  1.00  0.00           C  
HETATM    7  C   UNL     1       1.940  -3.892   0.084  1.00  0.00           C  
HETATM    8  C   UNL     1       0.983  -2.704   0.220  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.289  -2.986  -0.585  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.260  -1.848  -0.406  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.735  -1.536   0.854  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.622  -0.489   1.020  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.575  -0.078  -1.340  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.684  -1.122  -1.503  1.00  0.00           C  
HETATM   15  C   UNL     1       1.657  -1.440  -0.317  1.00  0.00           C  
HETATM   16  C   UNL     1       3.496  -0.010   0.161  1.00  0.00           C  
HETATM   17  C   UNL     1       5.325   1.491   0.569  1.00  0.00           C  
HETATM   18  C   UNL     1       4.944   2.249  -0.536  1.00  0.00           C  
HETATM   19  C   UNL     1       6.960   2.947   0.124  1.00  0.00           C  
HETATM   20  I   UNL     1      -4.392   1.823   0.171  1.00  0.00           I  
HETATM   21  N   UNL     1       1.286  -5.109   0.580  1.00  0.00           N  
HETATM   22  O   UNL     1       2.781  -1.115   0.503  1.00  0.00           O  
HETATM   23  O   UNL     1       5.807   3.301  -0.661  1.00  0.00           O  
HETATM   24  O   UNL     1       6.428   2.064   1.132  1.00  0.00           O  
HETATM   25  H   UNL     1       4.891  -0.225   1.773  1.00  0.00           H  
HETATM   26  H   UNL     1       3.548   2.458  -2.144  1.00  0.00           H  
HETATM   27  H   UNL     1       2.269   0.447  -1.533  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.807  -4.514  -0.679  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.212  -4.168   0.964  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.357  -6.349   0.163  1.00  0.00           H  
HETATM   31  H   UNL     1       0.364  -5.551  -1.255  1.00  0.00           H  
HETATM   32  H   UNL     1       2.208  -4.024  -0.965  1.00  0.00           H  
HETATM   33  H   UNL     1       2.841  -3.701   0.667  1.00  0.00           H  
HETATM   34  H   UNL     1       0.726  -2.563   1.270  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.037  -3.089  -1.640  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.410  -2.109   1.711  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.986  -0.240   2.005  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.906   0.489  -2.197  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.313  -1.366  -2.488  1.00  0.00           H  
HETATM   40  H   UNL     1       1.992  -1.613  -1.340  1.00  0.00           H  
HETATM   41  H   UNL     1       0.946  -0.615  -0.302  1.00  0.00           H  
HETATM   42  H   UNL     1       7.698   2.428  -0.488  1.00  0.00           H  
HETATM   43  H   UNL     1       7.399   3.832   0.584  1.00  0.00           H  
HETATM   44  H   UNL     1       1.928  -5.887   0.589  1.00  0.00           H  
CONECT    1   12   12   13   20                                       
CONECT    2   17   17   16   25                                       
CONECT    3   18   18    4   26                                       
CONECT    4    3   16   16   27                                       
CONECT    5    9    6   28   29                                       
CONECT    6   21    5   30   31                                       
CONECT    7    8   21   32   33                                       
CONECT    8   15    7    9   34                                       
CONECT    9    8   10    5   35                                       
CONECT   10    9   11   11   14                                       
CONECT   11   10   10   12   36                                       
CONECT   12   11    1    1   37                                       
CONECT   13   14   14    1   38                                       
CONECT   14   10   13   13   39                                       
CONECT   15   22    8   40   41                                       
CONECT   16    4    4    2   22                                       
CONECT   17   18   24    2    2                                       
CONECT   18   23    3    3   17                                       
CONECT   19   23   24   42   43                                       
CONECT   20    1                                                      
CONECT   21    7    6   44                                            
CONECT   22   16   15                                                 
CONECT   23   19   18                                                 
CONECT   24   19   17                                                 
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   21                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
