COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O5* UNL     1       3.556   4.611   0.660  1.00  0.00           O  
HETATM    2  C5* UNL     1       4.133   3.688  -0.266  1.00  0.00           C  
HETATM    3  C4* UNL     1       4.193   2.298   0.370  1.00  0.00           C  
HETATM    4  C3* UNL     1       4.910   1.318  -0.579  1.00  0.00           C  
HETATM    5  O3* UNL     1       6.077   0.780   0.047  1.00  0.00           O  
HETATM    6  C2* UNL     1       3.866   0.204  -0.834  1.00  0.00           C  
HETATM    7  O2* UNL     1       4.483  -1.085  -0.828  1.00  0.00           O  
HETATM    8  O4* UNL     1       2.861   1.796   0.574  1.00  0.00           O  
HETATM    9  C1* UNL     1       2.914   0.367   0.378  1.00  0.00           C  
HETATM   10  N   UNL     1       1.584  -0.160   0.063  1.00  0.00           N  
HETATM   11  C   UNL     1       1.212  -1.467   0.183  1.00  0.00           C  
HETATM   12  N   UNL     1       1.852  -2.577   0.578  1.00  0.00           N  
HETATM   13  C   UNL     1       1.245  -3.742   0.599  1.00  0.00           C  
HETATM   14  N   UNL     1       1.944  -4.848   1.013  1.00  0.00           N  
HETATM   15  N   UNL     1      -0.058  -3.887   0.225  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.771  -2.814  -0.186  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.937  -2.929  -0.523  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.130  -1.556  -0.213  1.00  0.00           C  
HETATM   19  C   UNL     1       0.527   0.590  -0.389  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.540  -0.202  -0.582  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.900   0.223  -1.072  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.814   0.353   0.071  1.00  0.00           N  
HETATM   23  C   UNL     1      -4.152   0.768  -0.370  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.898   1.490   0.777  1.00  0.00           C  
HETATM   25  O   UNL     1      -4.810   2.909   0.632  1.00  0.00           O  
HETATM   26  C   UNL     1      -5.003  -0.442  -0.679  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.200  -0.317  -0.174  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.347   0.998   0.557  1.00  0.00           C  
HETATM   29  O   UNL     1      -7.074   1.933  -0.243  1.00  0.00           O  
HETATM   30  H5* UNL     1       3.487   5.515   0.323  1.00  0.00           H  
HETATM   31 H5*1 UNL     1       3.523   3.649  -1.168  1.00  0.00           H  
HETATM   32 H5*2 UNL     1       5.141   4.014  -0.523  1.00  0.00           H  
HETATM   33  H4* UNL     1       4.720   2.348   1.322  1.00  0.00           H  
HETATM   34  H3* UNL     1       5.174   1.815  -1.512  1.00  0.00           H  
HETATM   35  H3* UNL     1       6.739   1.444   0.281  1.00  0.00           H  
HETATM   36  H2* UNL     1       3.336   0.375  -1.771  1.00  0.00           H  
HETATM   37  H2* UNL     1       5.154  -1.203  -1.515  1.00  0.00           H  
HETATM   38  H1* UNL     1       3.324  -0.129   1.257  1.00  0.00           H  
HETATM   39  H   UNL     1       2.872  -4.762   1.283  1.00  0.00           H  
HETATM   40  H   UNL     1       1.511  -5.715   1.035  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.475  -4.762   0.253  1.00  0.00           H  
HETATM   42  H   UNL     1       0.551   1.656  -0.566  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.818   1.183  -1.582  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.287  -0.524  -1.764  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.857  -0.505   0.599  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.080   1.416  -1.243  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.520   1.173   1.749  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.263   3.404   1.329  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.665  -1.298  -1.244  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.982  -1.055  -0.266  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.846   0.846   1.514  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.991   1.676  -0.413  1.00  0.00           H  
CONECT    1    2   30                                                 
CONECT    2    1    3   31   32                                       
CONECT    3    4    2    8   33                                       
CONECT    4    6    5    3   34                                       
CONECT    5    4   35                                                 
CONECT    6    7    4    9   36                                       
CONECT    7    6   37                                                 
CONECT    8    9    3                                                 
CONECT    9    6   10    8   38                                       
CONECT   10    9   19   11                                            
CONECT   11   10   18   18   12                                       
CONECT   12   11   13   13                                            
CONECT   13   12   12   15   14                                       
CONECT   14   13   39   40                                            
CONECT   15   16   13   41                                            
CONECT   16   18   15   17   17                                       
CONECT   17   16   16                                                 
CONECT   18   20   11   11   16                                       
CONECT   19   10   20   20   42                                       
CONECT   20   19   19   21   18                                       
CONECT   21   20   22   43   44                                       
CONECT   22   21   23   45                                            
CONECT   23   22   26   24   46                                       
CONECT   24   23   25   28   47                                       
CONECT   25   24   48                                                 
CONECT   26   23   27   27   49                                       
CONECT   27   26   26   28   50                                       
CONECT   28   27   24   29   51                                       
CONECT   29   28   52                                                 
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    9                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   19                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   29                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
