COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.269   0.120  -2.195  1.00  0.00           C  
HETATM    2  O   UNL     1       3.392  -0.136  -3.376  1.00  0.00           O  
HETATM    3  O   UNL     1       4.350   0.449  -1.460  1.00  0.00           O  
HETATM    4  C   UNL     1       1.937   0.072  -1.565  1.00  0.00           C  
HETATM    5  C   UNL     1       0.924  -0.256  -2.344  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.487  -0.361  -1.826  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.528   0.255  -0.420  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.735  -0.188   0.282  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.468   0.696   0.986  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.169   1.872   0.981  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.659   0.225   1.780  1.00  0.00           C  
HETATM   12  C   UNL     1       0.721  -0.225   0.327  1.00  0.00           C  
HETATM   13  O   UNL     1       1.875   0.367  -0.255  1.00  0.00           O  
HETATM   14  C   UNL     1       0.626   0.176   1.777  1.00  0.00           C  
HETATM   15  O   UNL     1       1.175   1.187   2.162  1.00  0.00           O  
HETATM   16  N   UNL     1      -0.068  -0.586   2.644  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.625  -1.868   2.207  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.266  -0.132   4.023  1.00  0.00           C  
HETATM   19  C   UNL     1       0.884  -0.637   4.896  1.00  0.00           C  
HETATM   20  C   UNL     1       0.677  -0.164   6.336  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.395   0.369  -2.714  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.984  -0.275  -3.776  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.736  -1.536  -3.992  1.00  0.00           N  
HETATM   24  N   UNL     1      -2.836   0.409  -4.610  1.00  0.00           N  
HETATM   25  H   UNL     1       5.224   0.480  -1.873  1.00  0.00           H  
HETATM   26  H   UNL     1       1.112  -0.457  -3.388  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.785  -1.408  -1.777  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.520   1.342  -0.492  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.006  -1.118   0.240  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.160   1.084   2.227  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.352  -0.296   1.121  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.326  -0.450   2.567  1.00  0.00           H  
HETATM   33  H   UNL     1       0.794  -1.311   0.255  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.459  -1.991   1.137  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.135  -2.679   2.746  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.695  -1.889   2.414  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.209  -0.524   4.402  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.289   0.957   4.047  1.00  0.00           H  
HETATM   39  H   UNL     1       1.827  -0.245   4.516  1.00  0.00           H  
HETATM   40  H   UNL     1       0.907  -1.727   4.872  1.00  0.00           H  
HETATM   41  H   UNL     1       1.496  -0.524   6.958  1.00  0.00           H  
HETATM   42  H   UNL     1       0.654   0.925   6.360  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.266  -0.556   6.715  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.580   1.307  -2.554  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.151  -1.991  -4.741  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.252  -0.045  -5.359  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.021   1.348  -4.449  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    2    1    1                                                 
CONECT    3    1   25                                                 
CONECT    4    1    5    5   13                                       
CONECT    5    4    4    6   26                                       
CONECT    6    5    7   21   27                                       
CONECT    7    6    8   12   28                                       
CONECT    8    7    9   29                                            
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   30   31   32                                       
CONECT   12    7   13   14   33                                       
CONECT   13    4   12                                                 
CONECT   14   12   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   18                                            
CONECT   17   16   34   35   36                                       
CONECT   18   16   19   37   38                                       
CONECT   19   18   20   39   40                                       
CONECT   20   19   41   42   43                                       
CONECT   21    6   22   44                                            
CONECT   22   21   23   23   24                                       
CONECT   23   22   22   45                                            
CONECT   24   22   46   47                                            
CONECT   25    3                                                      
CONECT   26    5                                                      
CONECT   27    6                                                      
CONECT   28    7                                                      
CONECT   29    8                                                      
CONECT   30   11                                                      
CONECT   31   11                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   17                                                      
CONECT   35   17                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
