COMPND    HMDB0015503
HETATM    1  C1  UNL     1       3.770   0.144   0.330  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.409   0.418  -0.171  1.00  0.00           C  
HETATM    3  C3  UNL     1       2.122   1.275  -1.215  1.00  0.00           C  
HETATM    4  C4  UNL     1       0.744   1.230  -1.344  1.00  0.00           C  
HETATM    5  O1  UNL     1       0.051   1.868  -2.184  1.00  0.00           O  
HETATM    6  N1  UNL     1       0.238   0.379  -0.409  1.00  0.00           N  
HETATM    7  C5  UNL     1      -1.151   0.106  -0.271  1.00  0.00           C  
HETATM    8  C6  UNL     1      -1.949  -0.229  -1.371  1.00  0.00           C  
HETATM    9  C7  UNL     1      -3.294  -0.491  -1.228  1.00  0.00           C  
HETATM   10  C8  UNL     1      -3.902  -0.432   0.009  1.00  0.00           C  
HETATM   11  C9  UNL     1      -3.138  -0.103   1.112  1.00  0.00           C  
HETATM   12  C10 UNL     1      -1.797   0.155   0.947  1.00  0.00           C  
HETATM   13  N2  UNL     1       1.260  -0.101   0.288  1.00  0.00           N  
HETATM   14  C11 UNL     1       1.137  -1.043   1.379  1.00  0.00           C  
HETATM   15  H1  UNL     1       4.045   0.866   1.120  1.00  0.00           H  
HETATM   16  H2  UNL     1       3.890  -0.883   0.721  1.00  0.00           H  
HETATM   17  H3  UNL     1       4.509   0.262  -0.486  1.00  0.00           H  
HETATM   18  H4  UNL     1       2.796   1.866  -1.821  1.00  0.00           H  
HETATM   19  H5  UNL     1      -1.451  -0.269  -2.329  1.00  0.00           H  
HETATM   20  H6  UNL     1      -3.914  -0.750  -2.072  1.00  0.00           H  
HETATM   21  H7  UNL     1      -4.962  -0.644   0.085  1.00  0.00           H  
HETATM   22  H8  UNL     1      -3.635  -0.062   2.077  1.00  0.00           H  
HETATM   23  H9  UNL     1      -1.206   0.411   1.814  1.00  0.00           H  
HETATM   24  H10 UNL     1       2.118  -1.570   1.497  1.00  0.00           H  
HETATM   25  H11 UNL     1       0.391  -1.837   1.174  1.00  0.00           H  
HETATM   26  H12 UNL     1       0.920  -0.565   2.349  1.00  0.00           H  
CONECT    1    2   15   16   17
CONECT    2    3    3   13
CONECT    3    4   18
CONECT    4    5    5    6
CONECT    6    7   13
CONECT    7    8    8   12
CONECT    8    9   19
CONECT    9   10   10   20
CONECT   10   11   21
CONECT   11   12   12   22
CONECT   12   23
CONECT   13   14
CONECT   14   24   25   26
END