COMPND    HMDB0246294
HETATM    1  O1  UNL     1       4.575  -0.397   2.399  1.00  0.00           O  
HETATM    2  N1  UNL     1       4.156   0.427   1.570  1.00  0.00           N1+
HETATM    3  O2  UNL     1       4.864   1.581   1.384  1.00  0.00           O1-
HETATM    4  C1  UNL     1       2.955   0.125   0.854  1.00  0.00           C  
HETATM    5  C2  UNL     1       2.467   1.023  -0.072  1.00  0.00           C  
HETATM    6  C3  UNL     1       1.307   0.762  -0.783  1.00  0.00           C  
HETATM    7  C4  UNL     1       0.638  -0.409  -0.557  1.00  0.00           C  
HETATM    8  C5  UNL     1      -0.596  -0.699  -1.305  1.00  0.00           C  
HETATM    9  C6  UNL     1      -1.820  -0.214  -0.640  1.00  0.00           C  
HETATM   10  C7  UNL     1      -2.504  -1.018   0.244  1.00  0.00           C  
HETATM   11  C8  UNL     1      -3.644  -0.525   0.843  1.00  0.00           C  
HETATM   12  N2  UNL     1      -4.108   0.719   0.589  1.00  0.00           N  
HETATM   13  C9  UNL     1      -3.423   1.496  -0.283  1.00  0.00           C  
HETATM   14  C10 UNL     1      -2.280   1.056  -0.909  1.00  0.00           C  
HETATM   15  C11 UNL     1       1.120  -1.299   0.360  1.00  0.00           C  
HETATM   16  C12 UNL     1       2.276  -1.066   1.085  1.00  0.00           C  
HETATM   17  H1  UNL     1       2.988   1.971  -0.270  1.00  0.00           H  
HETATM   18  H2  UNL     1       0.960   1.508  -1.508  1.00  0.00           H  
HETATM   19  H3  UNL     1      -0.558  -0.256  -2.324  1.00  0.00           H  
HETATM   20  H4  UNL     1      -0.733  -1.805  -1.472  1.00  0.00           H  
HETATM   21  H5  UNL     1      -2.179  -2.010   0.479  1.00  0.00           H  
HETATM   22  H6  UNL     1      -4.231  -1.105   1.550  1.00  0.00           H  
HETATM   23  H7  UNL     1      -3.794   2.495  -0.489  1.00  0.00           H  
HETATM   24  H8  UNL     1      -1.719   1.656  -1.606  1.00  0.00           H  
HETATM   25  H9  UNL     1       0.615  -2.250   0.572  1.00  0.00           H  
HETATM   26  H10 UNL     1       2.666  -1.767   1.814  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    4    5    5   16
CONECT    5    6   17
CONECT    6    7    7   18
CONECT    7    8   15
CONECT    8    9   19   20
CONECT    9   10   10   14
CONECT   10   11   21
CONECT   11   12   12   22
CONECT   12   13
CONECT   13   14   14   23
CONECT   14   24
CONECT   15   16   16   25
CONECT   16   26
END