HEADER
REMARK isethionic_acid_7545
HETATM    1  C           1       1.544  -1.002   0.117                       C
HETATM    2  C           1       0.035  -0.999  -0.106                       C
HETATM    3  O           1       1.931  -2.368   0.060                       O
HETATM    4  O           1      -0.413   1.035   1.423                       O
HETATM    5  O           1      -2.123   0.554  -0.384                       O
HETATM    6  O           1       0.129   1.532  -0.999                       O
HETATM    7  S           1      -0.683   0.650  -0.163                       S
HETATM    8  H           1       1.777  -0.551   1.092                       H
HETATM    9  H           1       2.029  -0.402  -0.664                       H
HETATM   10  H           1      -0.211  -1.443  -1.076                       H
HETATM   11  H           1      -0.493  -1.551   0.675                       H
HETATM   12  H           1       2.895  -2.408   0.160                       H
HETATM   13  H           1      -0.737   1.947   1.561                       H
CONECT    1    2    3    8    9
CONECT    2    1    7   10   11
CONECT    3    1   12
CONECT    4    7   13
CONECT    5    7
CONECT    6    7
CONECT    7    2    4    5    6
CONECT    8    1
CONECT    9    1
CONECT   10    2
CONECT   11    2
CONECT   12    3
CONECT   13    4
END