COMPND    HMDB0031337
HETATM    1  N1  UNL     1      -2.535  -2.015   0.093  1.00  0.00           N  
HETATM    2  C1  UNL     1      -2.191  -0.934  -0.163  1.00  0.00           C  
HETATM    3  C2  UNL     1      -1.755   0.431  -0.467  1.00  0.00           C  
HETATM    4  C3  UNL     1      -0.911   0.962   0.665  1.00  0.00           C  
HETATM    5  C4  UNL     1       0.311   0.114   0.889  1.00  0.00           C  
HETATM    6  C5  UNL     1       1.189   0.071  -0.345  1.00  0.00           C  
HETATM    7  C6  UNL     1       2.476  -0.794  -0.177  1.00  0.00           C  
HETATM    8  S1  UNL     1       2.729   0.935  -0.386  1.00  0.00           S  
HETATM    9  H1  UNL     1      -2.689   1.059  -0.470  1.00  0.00           H  
HETATM   10  H2  UNL     1      -1.280   0.521  -1.459  1.00  0.00           H  
HETATM   11  H3  UNL     1      -0.688   2.019   0.520  1.00  0.00           H  
HETATM   12  H4  UNL     1      -1.553   0.894   1.583  1.00  0.00           H  
HETATM   13  H5  UNL     1       0.060  -0.922   1.161  1.00  0.00           H  
HETATM   14  H6  UNL     1       0.919   0.521   1.720  1.00  0.00           H  
HETATM   15  H7  UNL     1       0.667  -0.049  -1.317  1.00  0.00           H  
HETATM   16  H8  UNL     1       2.604  -1.288   0.808  1.00  0.00           H  
HETATM   17  H9  UNL     1       2.647  -1.523  -1.019  1.00  0.00           H  
CONECT    1    2    2    2
CONECT    2    3
CONECT    3    4    9   10
CONECT    4    5   11   12
CONECT    5    6   13   14
CONECT    6    7    8   15
CONECT    7    8   16   17
END