COMPND    HMDB0247094
HETATM    1  C1  UNL     1       2.770   0.169   0.071  1.00  0.00           C  
HETATM    2  N1  UNL     1       1.443  -0.453   0.040  1.00  0.00           N  
HETATM    3  N2  UNL     1       1.416  -1.831   0.101  1.00  0.00           N  
HETATM    4  O1  UNL     1       1.876  -2.438   1.111  1.00  0.00           O  
HETATM    5  C2  UNL     1       0.312   0.397  -0.049  1.00  0.00           C  
HETATM    6  N3  UNL     1       0.450   1.734  -0.103  1.00  0.00           N  
HETATM    7  C3  UNL     1      -0.590   2.579  -0.188  1.00  0.00           C  
HETATM    8  N4  UNL     1      -1.822   2.043  -0.218  1.00  0.00           N  
HETATM    9  C4  UNL     1      -2.044   0.715  -0.168  1.00  0.00           C  
HETATM   10  N5  UNL     1      -3.136  -0.070  -0.181  1.00  0.00           N  
HETATM   11  C5  UNL     1      -2.802  -1.370  -0.107  1.00  0.00           C  
HETATM   12  N6  UNL     1      -1.441  -1.397  -0.046  1.00  0.00           N  
HETATM   13  C6  UNL     1      -0.965  -0.141  -0.081  1.00  0.00           C  
HETATM   14  H1  UNL     1       3.356  -0.341  -0.728  1.00  0.00           H  
HETATM   15  H2  UNL     1       3.255   0.019   1.058  1.00  0.00           H  
HETATM   16  H3  UNL     1       2.706   1.256  -0.202  1.00  0.00           H  
HETATM   17  H4  UNL     1      -0.445   3.669  -0.231  1.00  0.00           H  
HETATM   18  H5  UNL     1      -3.441  -2.248  -0.096  1.00  0.00           H  
HETATM   19  H6  UNL     1      -0.897  -2.291   0.019  1.00  0.00           H  
CONECT    1    2   14   15   16
CONECT    2    3    5
CONECT    3    4    4
CONECT    5    6    6   13
CONECT    6    7
CONECT    7    8    8   17
CONECT    8    9
CONECT    9   10   13   13
CONECT   10   11   11
CONECT   11   12   18
CONECT   12   13   19
END