@MOLECULE (1s,2s)-1,2-dihydroxy-1,2-ethanedisulfonic acid 18 17 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.1897 0.2108 0.1945 S.O2 1 UNL1111111111 2.3398 2 S 2.1910 0.2071 -0.1944 S.O2 1 UNL1111111111 2.3400 3 O -0.5771 -1.3859 -1.1894 O.3 1 UNL1111111111 -0.5073 4 O 0.5717 -1.3816 1.1921 O.3 1 UNL1111111111 -0.5091 5 O -2.8819 0.9803 -1.0890 O.3 1 UNL1111111111 -0.8329 6 O 2.8712 1.0086 1.0755 O.3 1 UNL1111111111 -0.8331 7 O -2.0188 1.1606 1.2512 O.2 1 UNL1111111111 -0.8604 8 O -2.9274 -1.0118 0.3577 O.2 1 UNL1111111111 -0.9009 9 O 2.9307 -1.0189 -0.3225 O.2 1 UNL1111111111 -0.9025 10 O 2.0278 1.1306 -1.2749 O.2 1 UNL1111111111 -0.8588 11 C -0.5583 -0.1490 -0.5298 C.3 1 UNL1111111111 -0.1886 12 C 0.5579 -0.1464 0.5281 C.3 1 UNL1111111111 -0.1895 13 H -0.3593 0.5760 -1.3723 H 1 UNL1111111111 0.2133 14 H 0.3582 0.5826 1.3670 H 1 UNL1111111111 0.2136 15 H -0.9610 -2.1042 -0.6186 H 1 UNL1111111111 0.3421 16 H 0.9934 -2.0949 0.6426 H 1 UNL1111111111 0.3429 17 H -3.7808 0.7222 -1.3363 H 1 UNL1111111111 0.3955 18 H 3.7759 0.7731 1.3250 H 1 UNL1111111111 0.3958 @BOND 1 1 5 1 2 1 7 2 3 1 8 2 4 1 11 1 5 2 6 1 6 2 9 2 7 2 10 2 8 2 12 1 9 3 11 1 10 3 15 1 11 4 12 1 12 4 16 1 13 5 17 1 14 6 18 1 15 11 12 1 16 11 13 1 17 12 14 1