COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.495   1.301  -0.438  1.00  0.00           C  
HETATM    2  C   UNL     1       5.466   2.447  -0.554  1.00  0.00           C  
HETATM    3  C   UNL     1       4.896   0.022  -0.659  1.00  0.00           C  
HETATM    4  C   UNL     1       3.967  -1.032  -0.544  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.330  -1.689   0.409  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.120  -2.276  -0.838  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.580  -2.493   1.519  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.618  -3.866   1.379  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.161  -3.649  -0.966  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.408  -4.443   0.139  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.712   0.159   1.190  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.601   0.488   0.019  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.076   1.775  -0.148  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.936  -0.497  -0.892  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.888   2.078  -1.225  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.751  -0.195  -1.967  1.00  0.00           C  
HETATM   17  O   UNL     1       4.338  -2.175  -0.744  1.00  0.00           O  
HETATM   18  O   UNL     1       2.685  -0.808  -0.219  1.00  0.00           O  
HETATM   19  C   UNL     1       2.224   0.438   0.013  1.00  0.00           C  
HETATM   20  C   UNL     1       3.095   1.536  -0.078  1.00  0.00           C  
HETATM   21  C   UNL     1       2.618   2.833   0.163  1.00  0.00           C  
HETATM   22  C   UNL     1       1.315   3.039   0.498  1.00  0.00           C  
HETATM   23  C   UNL     1       0.432   1.962   0.607  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.878   1.880   0.915  1.00  0.00           O  
HETATM   25  C   UNL     1       0.886   0.661   0.352  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.282  -0.214   0.554  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.304   0.607   0.894  1.00  0.00           C  
HETATM   28  O   UNL     1      -3.190   0.833   2.356  1.00  0.00           O  
HETATM   29  C   UNL     1      -5.223   1.094  -2.136  1.00  0.00           C  
HETATM   30  H   UNL     1       6.450   2.064  -0.824  1.00  0.00           H  
HETATM   31  H   UNL     1       5.122   3.139  -1.323  1.00  0.00           H  
HETATM   32  H   UNL     1       5.529   2.968   0.401  1.00  0.00           H  
HETATM   33  H   UNL     1       5.923  -0.186  -0.922  1.00  0.00           H  
HETATM   34  H   UNL     1       0.073  -1.657  -1.702  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.742  -2.044   2.488  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.811  -4.490   2.238  1.00  0.00           H  
HETATM   37  H   UNL     1       0.002  -4.105  -1.932  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.438  -5.517   0.034  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.722  -0.918   1.363  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.814   2.544   0.564  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.561  -1.501  -0.764  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.256   3.084  -1.358  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.013  -0.964  -2.679  1.00  0.00           H  
HETATM   44  H   UNL     1       3.291   3.675   0.084  1.00  0.00           H  
HETATM   45  H   UNL     1       0.961   4.043   0.681  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.209   1.796   2.273  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.857   1.330  -2.978  1.00  0.00           H  
CONECT    1    2   20    3    3                                       
CONECT    2    1   30   31   32                                       
CONECT    3    1    1    4   33                                       
CONECT    4    3   18   17   17                                       
CONECT    5   26    7    7    6                                       
CONECT    6    5    9    9   34                                       
CONECT    7    5    5    8   35                                       
CONECT    8    7   10   10   36                                       
CONECT    9    6    6   10   37                                       
CONECT   10    8    8    9   38                                       
CONECT   11   12   28   27   39                                       
CONECT   12   13   13   14   11                                       
CONECT   13   15   12   12   40                                       
CONECT   14   16   16   12   41                                       
CONECT   15   29   29   13   42                                       
CONECT   16   29   14   14   43                                       
CONECT   17    4    4                                                 
CONECT   18   19    4                                                 
CONECT   19   20   20   25   18                                       
CONECT   20   21    1   19   19                                       
CONECT   21   22   22   20   44                                       
CONECT   22   21   21   23   45                                       
CONECT   23   22   24   25   25                                       
CONECT   24   23   27                                                 
CONECT   25   23   23   19   26                                       
CONECT   26   27   27   25    5                                       
CONECT   27   24   11   26   26                                       
CONECT   28   11   46                                                 
CONECT   29   15   15   16   47                                       
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   28                                                      
CONECT   47   29                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
