COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.661  -2.094   1.098  1.00  0.00           C  
HETATM    2  O   UNL     1       5.537  -1.661   0.329  1.00  0.00           O  
HETATM    3  C   UNL     1       4.285  -2.168   0.794  1.00  0.00           C  
HETATM    4  C   UNL     1       3.175  -1.651  -0.085  1.00  0.00           C  
HETATM    5  C   UNL     1       2.788  -2.369  -1.202  1.00  0.00           C  
HETATM    6  C   UNL     1       1.770  -1.901  -2.014  1.00  0.00           C  
HETATM    7  C   UNL     1       1.135  -0.714  -1.714  1.00  0.00           C  
HETATM    8  C   UNL     1       1.521   0.015  -0.588  1.00  0.00           C  
HETATM    9  C   UNL     1       2.544  -0.465   0.229  1.00  0.00           C  
HETATM   10  C   UNL     1       0.843   1.290  -0.261  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.479   1.449   0.122  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.701   2.788   0.331  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.975   3.380   0.749  1.00  0.00           C  
HETATM   14  N   UNL     1       0.478   3.498   0.085  1.00  0.00           N  
HETATM   15  C   UNL     1       0.639   4.949   0.201  1.00  0.00           C  
HETATM   16  C   UNL     1       1.443   2.627  -0.271  1.00  0.00           C  
HETATM   17  O   UNL     1       2.596   2.900  -0.552  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.473   0.371   0.276  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.145  -0.782   1.013  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.043  -1.787   1.169  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.322  -1.686   0.591  1.00  0.00           C  
HETATM   22  N   UNL     1      -4.219  -2.668   0.735  1.00  0.00           N  
HETATM   23  C   UNL     1      -5.407  -2.552   0.186  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.746  -1.413  -0.548  1.00  0.00           C  
HETATM   25  N   UNL     1      -4.883  -0.435  -0.704  1.00  0.00           N  
HETATM   26  C   UNL     1      -3.667  -0.530  -0.154  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.727   0.503  -0.301  1.00  0.00           C  
HETATM   28  H   UNL     1       6.544  -1.764   2.130  1.00  0.00           H  
HETATM   29  H   UNL     1       6.724  -3.182   1.069  1.00  0.00           H  
HETATM   30  H   UNL     1       7.573  -1.667   0.681  1.00  0.00           H  
HETATM   31  H   UNL     1       4.298  -3.257   0.759  1.00  0.00           H  
HETATM   32  H   UNL     1       4.118  -1.840   1.820  1.00  0.00           H  
HETATM   33  H   UNL     1       3.283  -3.299  -1.442  1.00  0.00           H  
HETATM   34  H   UNL     1       1.473  -2.466  -2.885  1.00  0.00           H  
HETATM   35  H   UNL     1       0.341  -0.350  -2.349  1.00  0.00           H  
HETATM   36  H   UNL     1       2.844   0.093   1.104  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.984   3.496   1.833  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.093   4.356   0.278  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.795   2.729   0.446  1.00  0.00           H  
HETATM   40  H   UNL     1       0.951   5.200   1.215  1.00  0.00           H  
HETATM   41  H   UNL     1       1.396   5.288  -0.506  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.309   5.439  -0.019  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.165  -0.868   1.461  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.776  -2.666   1.737  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.129  -3.346   0.304  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.728  -1.335  -0.991  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.977   1.391  -0.862  1.00  0.00           H  
CONECT    1    2   28   29   30                                       
CONECT    2    1    3                                                 
CONECT    3    2    4   31   32                                       
CONECT    4    3    5    5    9                                       
CONECT    5    4    4    6   33                                       
CONECT    6    5    7    7   34                                       
CONECT    7    6    6    8   35                                       
CONECT    8    7    9    9   10                                       
CONECT    9    4    8    8   36                                       
CONECT   10    8   11   11   16                                       
CONECT   11   10   10   12   18                                       
CONECT   12   11   13   14                                            
CONECT   13   12   37   38   39                                       
CONECT   14   12   15   16                                            
CONECT   15   14   40   41   42                                       
CONECT   16   10   14   17   17                                       
CONECT   17   16   16                                                 
CONECT   18   11   19   19   27                                       
CONECT   19   18   18   20   43                                       
CONECT   20   19   21   21   44                                       
CONECT   21   20   20   22   26                                       
CONECT   22   21   23   23                                            
CONECT   23   22   22   24   45                                       
CONECT   24   23   25   25   46                                       
CONECT   25   24   24   26                                            
CONECT   26   21   25   27   27                                       
CONECT   27   18   26   26   47                                       
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    9                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   27                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
