COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      27.500  50.085  -3.594  1.00  0.00           O  
HETATM    2  C   UNL     1      26.419  49.729  -2.749  1.00  0.00           C  
HETATM    3  C   UNL     1      26.751  48.429  -1.985  1.00  0.00           C  
HETATM    4  C   UNL     1      27.836  48.649  -0.900  1.00  0.00           C  
HETATM    5  O   UNL     1      27.480  49.783  -0.106  1.00  0.00           O  
HETATM    6  C   UNL     1      28.054  47.409   0.007  1.00  0.00           C  
HETATM    7  O   UNL     1      29.429  47.332   0.403  1.00  0.00           O  
HETATM    8  O   UNL     1      28.226  44.868  -0.293  1.00  0.00           O  
HETATM    9  N   UNL     1      27.330  47.336  -2.795  1.00  0.00           N1+
HETATM   10  C   UNL     1      27.654  47.272  -4.102  1.00  0.00           C  
HETATM   11  C   UNL     1      28.339  46.080  -4.256  1.00  0.00           C  
HETATM   12  N   UNL     1      28.338  45.413  -3.068  1.00  0.00           N  
HETATM   13  C   UNL     1      27.757  46.251  -2.183  1.00  0.00           C  
HETATM   14  C   UNL     1      28.868  45.562  -5.553  1.00  0.00           C  
HETATM   15  N   UNL     1      30.318  45.701  -5.629  1.00  0.00           N  
HETATM   16  C   UNL     1      30.983  46.887  -5.850  1.00  0.00           C  
HETATM   17  C   UNL     1      30.326  48.027  -6.337  1.00  0.00           C  
HETATM   18  C   UNL     1      31.059  49.225  -6.547  1.00  0.00           C  
HETATM   19  C   UNL     1      32.439  49.311  -6.279  1.00  0.00           C  
HETATM   20  C   UNL     1      33.112  48.169  -5.796  1.00  0.00           C  
HETATM   21  C   UNL     1      32.375  46.978  -5.594  1.00  0.00           C  
HETATM   22  C   UNL     1      27.603  46.109  -0.684  1.00  0.00           C  
HETATM   23  H   UNL     1      27.190  50.165  -4.489  1.00  0.00           H  
HETATM   24  H   UNL     1      26.240  50.539  -2.027  1.00  0.00           H  
HETATM   25  H   UNL     1      25.520  49.568  -3.362  1.00  0.00           H  
HETATM   26  H   UNL     1      25.760  48.152  -1.597  1.00  0.00           H  
HETATM   27  H   UNL     1      28.790  48.823  -1.419  1.00  0.00           H  
HETATM   28  H   UNL     1      27.401  49.521   0.804  1.00  0.00           H  
HETATM   29  H   UNL     1      27.430  47.526   0.905  1.00  0.00           H  
HETATM   30  H   UNL     1      29.981  47.315  -0.370  1.00  0.00           H  
HETATM   31  H   UNL     1      26.562  46.011  -0.343  1.00  0.00           H  
HETATM   32  H   UNL     1      28.363  44.326  -1.061  1.00  0.00           H  
HETATM   33  H   UNL     1      27.427  47.999  -4.868  1.00  0.00           H  
HETATM   34  H   UNL     1      28.693  44.495  -2.889  1.00  0.00           H  
HETATM   35  H   UNL     1      28.608  44.497  -5.643  1.00  0.00           H  
HETATM   36  H   UNL     1      28.420  46.147  -6.370  1.00  0.00           H  
HETATM   37  H   UNL     1      30.649  45.387  -4.739  1.00  0.00           H  
HETATM   38  H   UNL     1      29.268  47.994  -6.551  1.00  0.00           H  
HETATM   39  H   UNL     1      32.893  46.103  -5.230  1.00  0.00           H  
HETATM   40  H   UNL     1      30.543  50.096  -6.923  1.00  0.00           H  
HETATM   41  H   UNL     1      32.973  50.236  -6.440  1.00  0.00           H  
HETATM   42  H   UNL     1      34.171  48.203  -5.584  1.00  0.00           H  
CONECT    1    2   23                                                 
CONECT    2    1    3   24   25                                       
CONECT    3    2    4    9   26                                       
CONECT    4    3    5    6   27                                       
CONECT    5    4   28                                                 
CONECT    6    4    7   22   29                                       
CONECT    7    6   30                                                 
CONECT    8   22   32                                                 
CONECT    9    3   10   13   13                                       
CONECT   10    9   11   11   33                                       
CONECT   11   10   10   12   14                                       
CONECT   12   11   13   34                                            
CONECT   13    9    9   12   22                                       
CONECT   14   11   15   35   36                                       
CONECT   15   14   16   37                                            
CONECT   16   15   17   21   21                                       
CONECT   17   16   18   18   38                                       
CONECT   18   17   17   19   40                                       
CONECT   19   18   20   20   41                                       
CONECT   20   19   19   21   42                                       
CONECT   21   16   16   20   39                                       
CONECT   22    6    8   13   31                                       
CONECT   23    1                                                      
CONECT   24    2                                                      
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31   22                                                      
CONECT   32    8                                                      
CONECT   33   10                                                      
CONECT   34   12                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   17                                                      
CONECT   39   21                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
