@MOLECULE 2-(dimethylamino)ethanesulfonic acid 20 19 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.5197 0.1304 -1.4835 O.2 1 UNL1111111111 -0.8962 2 S -1.5634 0.1243 -0.0462 S.O2 1 UNL1111111111 2.3891 3 O -2.3219 1.1255 0.6568 O.2 1 UNL1111111111 -0.9024 4 O -2.1951 -1.3346 0.4329 O.3 1 UNL1111111111 -0.8499 5 C 0.0548 -0.0691 0.6307 C.3 1 UNL1111111111 -0.5983 6 C 1.1741 0.3141 -0.3585 C.3 1 UNL1111111111 -0.0901 7 N 2.4594 -0.0124 0.3121 N.3 1 UNL1111111111 -0.3925 8 C 2.9682 -1.3301 -0.1222 C.3 1 UNL1111111111 -0.2818 9 C 3.4742 1.0363 0.0844 C.3 1 UNL1111111111 -0.2820 10 H -3.1521 -1.4323 0.4304 H 1 UNL1111111111 0.3877 11 H 0.1763 0.5281 1.5618 H 1 UNL1111111111 0.2012 12 H 0.2138 -1.1164 0.9759 H 1 UNL1111111111 0.2027 13 H 1.0504 -0.2156 -1.3306 H 1 UNL1111111111 0.1450 14 H 1.1238 1.4001 -0.5947 H 1 UNL1111111111 0.1402 15 H 3.2417 -1.3858 -1.1866 H 1 UNL1111111111 0.1215 16 H 3.8586 -1.5851 0.4762 H 1 UNL1111111111 0.1442 17 H 2.2069 -2.1009 0.0836 H 1 UNL1111111111 0.1475 18 H 3.1018 1.9934 0.4869 H 1 UNL1111111111 0.1480 19 H 4.3843 0.7830 0.6541 H 1 UNL1111111111 0.1453 20 H 3.7569 1.1815 -0.9684 H 1 UNL1111111111 0.1210 @BOND 1 1 2 2 2 2 3 2 3 2 4 1 4 2 5 1 5 4 10 1 6 5 6 1 7 5 11 1 8 5 12 1 9 6 7 1 10 6 13 1 11 6 14 1 12 7 8 1 13 7 9 1 14 8 15 1 15 8 16 1 16 8 17 1 17 9 18 1 18 9 19 1 19 9 20 1