COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.997   1.266   0.183  1.00  0.00           C  
HETATM    2  O   UNL     1      -6.528  -0.083   0.139  1.00  0.00           O  
HETATM    3  C   UNL     1      -5.183  -0.266   0.048  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.339   0.826   0.007  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.657  -1.557   0.001  1.00  0.00           C  
HETATM    6  O   UNL     1      -5.490  -2.629   0.047  1.00  0.00           O  
HETATM    7  C   UNL     1      -4.885  -3.923  -0.005  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.285  -1.749  -0.093  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.435  -0.666  -0.140  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.955   0.633  -0.087  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.052   1.790  -0.131  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.708   1.603  -0.096  1.00  0.00           C  
HETATM   13  C   UNL     1       0.314   2.657  -0.019  1.00  0.00           C  
HETATM   14  O   UNL     1       0.140   3.863   0.022  1.00  0.00           O  
HETATM   15  O   UNL     1      -0.065   0.412  -0.120  1.00  0.00           O  
HETATM   16  C   UNL     1       1.277   0.564  -0.073  1.00  0.00           C  
HETATM   17  C   UNL     1       2.308  -0.368  -0.076  1.00  0.00           C  
HETATM   18  C   UNL     1       1.596   1.929  -0.003  1.00  0.00           C  
HETATM   19  C   UNL     1       2.927   2.342   0.060  1.00  0.00           C  
HETATM   20  C   UNL     1       3.929   1.414   0.060  1.00  0.00           C  
HETATM   21  C   UNL     1       3.625   0.057  -0.019  1.00  0.00           C  
HETATM   22  O   UNL     1       4.627  -0.858  -0.019  1.00  0.00           O  
HETATM   23  C   UNL     1       5.963  -0.357   0.065  1.00  0.00           C  
HETATM   24  C   UNL     1       6.934  -1.510   0.052  1.00  0.00           C  
HETATM   25  O   UNL     1       6.523  -2.645  -0.020  1.00  0.00           O  
HETATM   26  O   UNL     1       8.254  -1.277   0.122  1.00  0.00           O  
HETATM   27  H   UNL     1      -8.085   1.270   0.256  1.00  0.00           H  
HETATM   28  H   UNL     1      -6.573   1.770   1.051  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.692   1.787  -0.725  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.745   1.826   0.048  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.326  -4.025  -0.936  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.207  -4.042   0.840  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.659  -4.688   0.039  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.883  -2.751  -0.129  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.369  -0.819  -0.212  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.457   2.789  -0.191  1.00  0.00           H  
HETATM   37  H   UNL     1       2.082  -1.423  -0.122  1.00  0.00           H  
HETATM   38  H   UNL     1       3.165   3.395   0.109  1.00  0.00           H  
HETATM   39  H   UNL     1       4.960   1.733   0.109  1.00  0.00           H  
HETATM   40  H   UNL     1       6.161   0.293  -0.787  1.00  0.00           H  
HETATM   41  H   UNL     1       6.082   0.208   0.989  1.00  0.00           H  
HETATM   42  H   UNL     1       8.837  -2.048   0.111  1.00  0.00           H  
CONECT    1    2   27   28   29                                       
CONECT    2    3    1                                                 
CONECT    3    4    2    5    5                                       
CONECT    4   10   10    3   30                                       
CONECT    5    3    3    8    6                                       
CONECT    6    5    7                                                 
CONECT    7    6   31   32   33                                       
CONECT    8    9    9    5   34                                       
CONECT    9   10    8    8   35                                       
CONECT   10   11    4    4    9                                       
CONECT   11   12   12   10   36                                       
CONECT   12   13   15   11   11                                       
CONECT   13   14   14   18   12                                       
CONECT   14   13   13                                                 
CONECT   15   16   12                                                 
CONECT   16   18   18   17   15                                       
CONECT   17   21   21   16   37                                       
CONECT   18   19   13   16   16                                       
CONECT   19   20   20   18   38                                       
CONECT   20   19   19   21   39                                       
CONECT   21   20   22   17   17                                       
CONECT   22   23   21                                                 
CONECT   23   24   22   40   41                                       
CONECT   24   25   25   23   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   42                                                 
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    4                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   11                                                      
CONECT   37   17                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   23                                                      
CONECT   41   23                                                      
CONECT   42   26                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
