COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.690  -4.518  -1.073  1.00  0.00           O  
HETATM    2  O   UNL     1      -2.576  -4.329   0.084  1.00  0.00           O  
HETATM    3  C   UNL     1      -1.519  -3.793  -0.559  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.369  -2.330  -0.637  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.318  -1.836  -1.276  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.085  -0.356  -1.415  1.00  0.00           C  
HETATM    7  N   UNL     1       1.331  -0.061  -1.185  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.937   0.394  -0.385  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.961   1.822  -0.710  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.362  -0.174  -0.436  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.314  -1.551  -0.058  1.00  0.00           O  
HETATM   12  C   UNL     1      -3.259   0.599   0.534  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.683   0.570   1.841  1.00  0.00           O  
HETATM   14  C   UNL     1      -4.645  -0.049   0.572  1.00  0.00           C  
HETATM   15  O   UNL     1      -5.220  -0.020  -0.735  1.00  0.00           O  
HETATM   16  C   UNL     1      -5.542   0.724   1.542  1.00  0.00           C  
HETATM   17  O   UNL     1      -6.797   0.053   1.666  1.00  0.00           O  
HETATM   18  C   UNL     1       2.141  -0.704  -0.313  1.00  0.00           C  
HETATM   19  C   UNL     1       3.364  -0.109  -0.426  1.00  0.00           C  
HETATM   20  N   UNL     1       3.229   0.854  -1.354  1.00  0.00           N  
HETATM   21  N   UNL     1       2.016   0.849  -1.783  1.00  0.00           N  
HETATM   22  C   UNL     1       4.596  -0.456   0.326  1.00  0.00           C  
HETATM   23  C   UNL     1       4.578  -1.492   1.259  1.00  0.00           C  
HETATM   24  C   UNL     1       5.727  -1.810   1.954  1.00  0.00           C  
HETATM   25  C   UNL     1       6.894  -1.104   1.728  1.00  0.00           C  
HETATM   26  C   UNL     1       6.918  -0.075   0.804  1.00  0.00           C  
HETATM   27  C   UNL     1       5.776   0.248   0.098  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.263   4.730  -0.037  1.00  0.00           C  
HETATM   29  C   UNL     1       0.004   4.097  -0.616  1.00  0.00           C  
HETATM   30  C   UNL     1       1.235   4.779  -0.014  1.00  0.00           C  
HETATM   31  C   UNL     1       0.030   2.628  -0.281  1.00  0.00           C  
HETATM   32  O   UNL     1       0.943   2.171   0.373  1.00  0.00           O  
HETATM   33  H   UNL     1      -2.632  -5.294   0.109  1.00  0.00           H  
HETATM   34  H   UNL     1       0.395  -2.519  -1.712  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.364  -0.037  -2.419  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.519   0.251   0.611  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.691   2.188  -1.234  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.756  -0.087  -1.448  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.350   1.632   0.200  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.572  -0.320   2.203  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.554  -1.082   0.906  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.331   0.871  -1.097  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.060   0.778   2.518  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.705   1.732   1.161  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.418   0.488   2.267  1.00  0.00           H  
HETATM   46  H   UNL     1       1.873  -1.521   0.340  1.00  0.00           H  
HETATM   47  H   UNL     1       3.667  -2.043   1.437  1.00  0.00           H  
HETATM   48  H   UNL     1       5.714  -2.613   2.677  1.00  0.00           H  
HETATM   49  H   UNL     1       7.790  -1.356   2.275  1.00  0.00           H  
HETATM   50  H   UNL     1       7.831   0.474   0.631  1.00  0.00           H  
HETATM   51  H   UNL     1       5.797   1.048  -0.627  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.281   5.793  -0.279  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.139   4.245  -0.466  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.270   4.603   1.046  1.00  0.00           H  
HETATM   55  H   UNL     1       0.012   4.223  -1.698  1.00  0.00           H  
HETATM   56  H   UNL     1       1.228   4.652   1.068  1.00  0.00           H  
HETATM   57  H   UNL     1       2.138   4.328  -0.427  1.00  0.00           H  
HETATM   58  H   UNL     1       1.217   5.841  -0.256  1.00  0.00           H  
CONECT    1    3    3                                                 
CONECT    2    3   33                                                 
CONECT    3    1    1    2    4                                       
CONECT    4    3   11    5    5                                       
CONECT    5    4    4    6   34                                       
CONECT    6    5    8    7   35                                       
CONECT    7    6   21   18                                            
CONECT    8   10    9    6   36                                       
CONECT    9    8   31   37                                            
CONECT   10   12   11    8   38                                       
CONECT   11   10    4                                                 
CONECT   12   14   10   13   39                                       
CONECT   13   12   40                                                 
CONECT   14   15   16   12   41                                       
CONECT   15   14   42                                                 
CONECT   16   17   14   43   44                                       
CONECT   17   16   45                                                 
CONECT   18    7   19   19   46                                       
CONECT   19   18   18   20   22                                       
CONECT   20   21   21   19                                            
CONECT   21    7   20   20                                            
CONECT   22   19   27   27   23                                       
CONECT   23   22   24   24   47                                       
CONECT   24   23   23   25   48                                       
CONECT   25   26   26   24   49                                       
CONECT   26   27   25   25   50                                       
CONECT   27   22   22   26   51                                       
CONECT   28   29   52   53   54                                       
CONECT   29   28   31   30   55                                       
CONECT   30   29   56   57   58                                       
CONECT   31    9   29   32   32                                       
CONECT   32   31   31                                                 
CONECT   33    2                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   27                                                      
CONECT   52   28                                                      
CONECT   53   28                                                      
CONECT   54   28                                                      
CONECT   55   29                                                      
CONECT   56   30                                                      
CONECT   57   30                                                      
CONECT   58   30                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
