COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.725  -0.455  -0.017  1.00  0.00           C  
HETATM    2  O   UNL     1       3.853  -1.657  -0.140  1.00  0.00           O  
HETATM    3  O   UNL     1       4.810   0.322   0.175  1.00  0.00           O  
HETATM    4  C   UNL     1       2.389   0.153  -0.085  1.00  0.00           C  
HETATM    5  C   UNL     1       2.280   1.641   0.072  1.00  0.00           C  
HETATM    6  C   UNL     1       0.922   2.127  -0.441  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.175   1.260   0.188  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.490   1.817  -0.138  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.544   1.571   0.666  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.404   0.889   1.658  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.897   2.144   0.330  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.061  -0.156  -0.380  1.00  0.00           C  
HETATM   13  C   UNL     1       1.357  -0.640  -0.285  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.914  -1.033   0.359  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.424  -2.128  -0.405  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.652  -3.329   0.515  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.749  -1.724  -1.055  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.499  -0.605  -2.068  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.309  -3.811   1.068  1.00  0.00           C  
HETATM   20  N   UNL     1       0.723   3.531  -0.058  1.00  0.00           N  
HETATM   21  H   UNL     1       5.668  -0.122   0.209  1.00  0.00           H  
HETATM   22  H   UNL     1       2.382   1.902   1.125  1.00  0.00           H  
HETATM   23  H   UNL     1       3.075   2.124  -0.497  1.00  0.00           H  
HETATM   24  H   UNL     1       0.886   2.032  -1.527  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.046   1.235   1.270  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.602   2.363  -0.932  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.828   2.724  -0.590  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.612   1.333   0.195  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.229   2.790   1.143  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.369  -0.152  -1.425  1.00  0.00           H  
HETATM   31  H   UNL     1       1.540  -1.700  -0.383  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.705  -2.395  -1.180  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.301  -3.036   1.340  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.123  -4.134  -0.049  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.181  -2.585  -1.564  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.438  -1.372  -0.287  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.067   0.257  -1.559  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.810  -0.957  -2.836  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.443  -0.317  -2.531  1.00  0.00           H  
HETATM   40  H   UNL     1       0.339  -4.104   0.242  1.00  0.00           H  
HETATM   41  H   UNL     1       0.161  -3.005   1.632  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.472  -4.666   1.723  1.00  0.00           H  
HETATM   43  H   UNL     1       1.444   4.118  -0.448  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.193   3.854  -0.330  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    2    1    1                                                 
CONECT    3    1   21                                                 
CONECT    4    1    5   13   13                                       
CONECT    5    4    6   22   23                                       
CONECT    6    5    7   20   24                                       
CONECT    7    6    8   12   25                                       
CONECT    8    7    9   26                                            
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   27   28   29                                       
CONECT   12    7   13   14   30                                       
CONECT   13    4    4   12   31                                       
CONECT   14   12   15                                                 
CONECT   15   14   16   17   32                                       
CONECT   16   15   19   33   34                                       
CONECT   17   15   18   35   36                                       
CONECT   18   17   37   38   39                                       
CONECT   19   16   40   41   42                                       
CONECT   20    6   43   44                                            
CONECT   21    3                                                      
CONECT   22    5                                                      
CONECT   23    5                                                      
CONECT   24    6                                                      
CONECT   25    7                                                      
CONECT   26    8                                                      
CONECT   27   11                                                      
CONECT   28   11                                                      
CONECT   29   11                                                      
CONECT   30   12                                                      
CONECT   31   13                                                      
CONECT   32   15                                                      
CONECT   33   16                                                      
CONECT   34   16                                                      
CONECT   35   17                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
