COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.102  -2.358   0.367  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.665  -1.304   0.147  1.00  0.00           C  
HETATM    3  C   UNL     1       0.113  -0.053   0.005  1.00  0.00           C  
HETATM    4  C   UNL     1       1.505  -0.091  -0.169  1.00  0.00           C  
HETATM    5  C   UNL     1       2.202  -1.391  -0.203  1.00  0.00           C  
HETATM    6  O   UNL     1       1.636  -2.415   0.117  1.00  0.00           O  
HETATM    7  C   UNL     1       3.648  -1.403  -0.651  1.00  0.00           C  
HETATM    8  C   UNL     1       4.343  -0.206   0.012  1.00  0.00           C  
HETATM    9  C   UNL     1       5.834  -0.228  -0.329  1.00  0.00           C  
HETATM   10  O   UNL     1       4.176  -0.283   1.429  1.00  0.00           O  
HETATM   11  C   UNL     1       3.722   1.089  -0.504  1.00  0.00           C  
HETATM   12  C   UNL     1       2.230   1.098  -0.306  1.00  0.00           C  
HETATM   13  C   UNL     1       1.571   2.310  -0.261  1.00  0.00           C  
HETATM   14  C   UNL     1       0.191   2.366  -0.087  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.438   3.565  -0.046  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.548   1.184   0.045  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.013   1.227   0.222  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.567   2.272   0.506  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.797  -0.011   0.051  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.137  -1.256   0.012  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.874  -2.424  -0.147  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.254  -2.360  -0.268  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.906  -1.145  -0.233  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.187   0.038  -0.077  1.00  0.00           C  
HETATM   25  O   UNL     1      -4.834   1.230  -0.042  1.00  0.00           O  
HETATM   26  H   UNL     1       4.127  -2.330  -0.336  1.00  0.00           H  
HETATM   27  H   UNL     1       3.701  -1.307  -1.736  1.00  0.00           H  
HETATM   28  H   UNL     1       5.961  -0.168  -1.410  1.00  0.00           H  
HETATM   29  H   UNL     1       6.327   0.622   0.143  1.00  0.00           H  
HETATM   30  H   UNL     1       6.277  -1.154   0.038  1.00  0.00           H  
HETATM   31  H   UNL     1       4.547  -1.084   1.825  1.00  0.00           H  
HETATM   32  H   UNL     1       4.158   1.932   0.032  1.00  0.00           H  
HETATM   33  H   UNL     1       3.940   1.191  -1.567  1.00  0.00           H  
HETATM   34  H   UNL     1       2.133   3.227  -0.362  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.732   3.885  -0.910  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.373  -3.380  -0.176  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.823  -3.270  -0.392  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.981  -1.111  -0.333  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.101   1.507   0.845  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   20    1    1    3                                       
CONECT    3   16    2    4    4                                       
CONECT    4    3    3   12    5                                       
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8   26   27                                       
CONECT    8   11    7    9   10                                       
CONECT    9    8   28   29   30                                       
CONECT   10    8   31                                                 
CONECT   11   12    8   32   33                                       
CONECT   12   13   13    4   11                                       
CONECT   13   14   12   12   34                                       
CONECT   14   15   16   16   13                                       
CONECT   15   14   35                                                 
CONECT   16   17   14   14    3                                       
CONECT   17   19   18   18   16                                       
CONECT   18   17   17                                                 
CONECT   19   24   17   20   20                                       
CONECT   20   19   19   21    2                                       
CONECT   21   22   22   20   36                                       
CONECT   22   23   21   21   37                                       
CONECT   23   24   24   22   38                                       
CONECT   24   25   23   23   19                                       
CONECT   25   24   39                                                 
CONECT   26    7                                                      
CONECT   27    7                                                      
CONECT   28    9                                                      
CONECT   29    9                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   13                                                      
CONECT   35   15                                                      
CONECT   36   21                                                      
CONECT   37   22                                                      
CONECT   38   23                                                      
CONECT   39   25                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
