COMPND    HMDB0242163
HETATM    1  C1  UNL     1      -2.590  -1.285   0.423  1.00  0.00           C  
HETATM    2  O1  UNL     1      -1.779  -0.912  -0.679  1.00  0.00           O  
HETATM    3  C2  UNL     1      -0.656  -0.127  -0.449  1.00  0.00           C  
HETATM    4  C3  UNL     1      -0.856   1.234  -0.505  1.00  0.00           C  
HETATM    5  O2  UNL     1      -2.098   1.794  -0.774  1.00  0.00           O  
HETATM    6  C4  UNL     1       0.225   2.057  -0.285  1.00  0.00           C  
HETATM    7  O3  UNL     1       0.064   3.452  -0.333  1.00  0.00           O  
HETATM    8  C5  UNL     1       1.454   1.496  -0.018  1.00  0.00           C  
HETATM    9  C6  UNL     1       1.646   0.107   0.036  1.00  0.00           C  
HETATM   10  C7  UNL     1       0.598  -0.696  -0.178  1.00  0.00           C  
HETATM   11  O4  UNL     1       0.845  -2.051  -0.111  1.00  0.00           O  
HETATM   12  S1  UNL     1       2.482  -2.190   0.366  1.00  0.00           S  
HETATM   13  O5  UNL     1       3.229  -2.944  -0.669  1.00  0.00           O  
HETATM   14  O6  UNL     1       2.618  -2.739   1.737  1.00  0.00           O  
HETATM   15  O7  UNL     1       2.844  -0.525   0.297  1.00  0.00           O  
HETATM   16  H1  UNL     1      -1.921  -1.791   1.147  1.00  0.00           H  
HETATM   17  H2  UNL     1      -2.974  -0.351   0.872  1.00  0.00           H  
HETATM   18  H3  UNL     1      -3.381  -1.975   0.080  1.00  0.00           H  
HETATM   19  H4  UNL     1      -2.898   1.222  -0.938  1.00  0.00           H  
HETATM   20  H5  UNL     1       0.867   4.044  -0.169  1.00  0.00           H  
HETATM   21  H6  UNL     1       2.281   2.182   0.150  1.00  0.00           H  
CONECT    1    2   16   17   18
CONECT    2    3
CONECT    3    4    4   10
CONECT    4    5    6
CONECT    5   19
CONECT    6    7    8    8
CONECT    7   20
CONECT    8    9   21
CONECT    9   10   10   15
CONECT   10   11
CONECT   11   12
CONECT   12   13   13   14   14
CONECT   12   15
END