COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.451  -0.224  -1.235  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.730   0.183  -0.983  1.00  0.00           C  
HETATM    3  O   UNL     1      -6.648   0.225  -1.984  1.00  0.00           O  
HETATM    4  C   UNL     1      -6.086   0.561   0.333  1.00  0.00           C  
HETATM    5  O   UNL     1      -7.223   0.928   0.583  1.00  0.00           O  
HETATM    6  N   UNL     1      -5.157   0.510   1.309  1.00  0.00           N  
HETATM    7  N   UNL     1      -3.855   0.088   1.020  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.517  -0.263  -0.192  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.108  -0.718  -0.471  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.291  -0.670   0.822  1.00  0.00           C  
HETATM   11  C   UNL     1       0.118  -1.125   0.543  1.00  0.00           C  
HETATM   12  C   UNL     1       0.401  -2.486   0.455  1.00  0.00           C  
HETATM   13  C   UNL     1       1.692  -2.921   0.200  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.595  -3.393   0.620  1.00  0.00           O  
HETATM   15  C   UNL     1       1.110  -0.201   0.374  1.00  0.00           C  
HETATM   16  C   UNL     1       2.415  -0.623   0.110  1.00  0.00           C  
HETATM   17  C   UNL     1       2.710  -1.995   0.031  1.00  0.00           C  
HETATM   18  O   UNL     1       3.973  -2.400  -0.224  1.00  0.00           O  
HETATM   19  C   UNL     1       4.975  -1.526  -0.408  1.00  0.00           C  
HETATM   20  O   UNL     1       6.095  -1.949  -0.635  1.00  0.00           O  
HETATM   21  C   UNL     1       4.768  -0.138  -0.347  1.00  0.00           C  
HETATM   22  C   UNL     1       3.503   0.351  -0.077  1.00  0.00           C  
HETATM   23  C   UNL     1       3.246   1.806  -0.005  1.00  0.00           C  
HETATM   24  C   UNL     1       3.393   2.601  -1.143  1.00  0.00           C  
HETATM   25  C   UNL     1       3.152   3.957  -1.069  1.00  0.00           C  
HETATM   26  C   UNL     1       2.766   4.530   0.130  1.00  0.00           C  
HETATM   27  C   UNL     1       2.619   3.747   1.261  1.00  0.00           C  
HETATM   28  C   UNL     1       2.851   2.389   1.199  1.00  0.00           C  
HETATM   29  H   UNL     1      -4.163  -0.520  -2.233  1.00  0.00           H  
HETATM   30  H   UNL     1      -7.523   0.527  -1.702  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.392   0.767   2.215  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.124  -1.740  -0.852  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.653  -0.061  -1.213  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.274   0.352   1.203  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.745  -1.326   1.564  1.00  0.00           H  
HETATM   36  H   UNL     1       1.904  -3.978   0.133  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.048  -3.634  -0.199  1.00  0.00           H  
HETATM   38  H   UNL     1       0.885   0.853   0.443  1.00  0.00           H  
HETATM   39  H   UNL     1       5.594   0.542  -0.491  1.00  0.00           H  
HETATM   40  H   UNL     1       3.695   2.155  -2.079  1.00  0.00           H  
HETATM   41  H   UNL     1       3.265   4.573  -1.949  1.00  0.00           H  
HETATM   42  H   UNL     1       2.579   5.592   0.182  1.00  0.00           H  
HETATM   43  H   UNL     1       2.313   4.200   2.193  1.00  0.00           H  
HETATM   44  H   UNL     1       2.735   1.780   2.084  1.00  0.00           H  
CONECT    1    2    2    8   29                                       
CONECT    2    4    3    1    1                                       
CONECT    3    2   30                                                 
CONECT    4    5    5    6    2                                       
CONECT    5    4    4                                                 
CONECT    6    4    7   31                                            
CONECT    7    6    8    8                                            
CONECT    8    7    7    1    9                                       
CONECT    9    8   10   32   33                                       
CONECT   10    9   11   34   35                                       
CONECT   11   15   12   12   10                                       
CONECT   12   11   11   13   14                                       
CONECT   13   17   17   12   36                                       
CONECT   14   12   37                                                 
CONECT   15   16   16   11   38                                       
CONECT   16   22   15   15   17                                       
CONECT   17   16   18   13   13                                       
CONECT   18   19   17                                                 
CONECT   19   21   20   20   18                                       
CONECT   20   19   19                                                 
CONECT   21   22   22   19   39                                       
CONECT   22   23   21   21   16                                       
CONECT   23   28   22   24   24                                       
CONECT   24   23   23   25   40                                       
CONECT   25   26   26   24   41                                       
CONECT   26   27   25   25   42                                       
CONECT   27   28   28   26   43                                       
CONECT   28   27   27   23   44                                       
CONECT   29    1                                                      
CONECT   30    3                                                      
CONECT   31    6                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   21                                                      
CONECT   40   24                                                      
CONECT   41   25                                                      
CONECT   42   26                                                      
CONECT   43   27                                                      
CONECT   44   28                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
