COMPND    HMDB0003584
HETATM    1  N1  UNL     1       2.442  -0.113  -0.807  1.00  0.00           N  
HETATM    2  C1  UNL     1       1.760   0.141   0.412  1.00  0.00           C  
HETATM    3  N2  UNL     1       2.441   0.882   1.415  1.00  0.00           N  
HETATM    4  N3  UNL     1       0.569  -0.258   0.660  1.00  0.00           N  
HETATM    5  C2  UNL     1      -0.136  -1.006  -0.336  1.00  0.00           C  
HETATM    6  C3  UNL     1      -1.603  -1.141  -0.010  1.00  0.00           C  
HETATM    7  S1  UNL     1      -2.384   0.456   0.105  1.00  0.00           S  
HETATM    8  O1  UNL     1      -1.756   1.284   1.187  1.00  0.00           O  
HETATM    9  O2  UNL     1      -3.848   0.189   0.420  1.00  0.00           O  
HETATM   10  O3  UNL     1      -2.245   1.281  -1.352  1.00  0.00           O  
HETATM   11  H1  UNL     1       2.742   0.698  -1.390  1.00  0.00           H  
HETATM   12  H2  UNL     1       2.648  -1.081  -1.128  1.00  0.00           H  
HETATM   13  H3  UNL     1       2.530   1.925   1.303  1.00  0.00           H  
HETATM   14  H4  UNL     1       2.834   0.368   2.236  1.00  0.00           H  
HETATM   15  H5  UNL     1       0.255  -2.045  -0.461  1.00  0.00           H  
HETATM   16  H6  UNL     1      -0.062  -0.472  -1.305  1.00  0.00           H  
HETATM   17  H7  UNL     1      -1.774  -1.645   0.964  1.00  0.00           H  
HETATM   18  H8  UNL     1      -2.154  -1.710  -0.784  1.00  0.00           H  
HETATM   19  H9  UNL     1      -2.259   2.245  -1.129  1.00  0.00           H  
CONECT    1    2   11   12
CONECT    2    3    4    4
CONECT    3   13   14
CONECT    4    5
CONECT    5    6   15   16
CONECT    6    7   17   18
CONECT    7    8    8    9    9
CONECT    7   10
CONECT   10   19
END