@MOLECULE (2s)-2-sulfosuccinic acid 18 17 0 0 0 SMALL GASTEIGER @ATOM 1 S 1.6121 0.6017 -0.1073 S.O2 1 UNL11 2.4090 2 O 2.1380 0.6736 1.4529 O.3 1 UNL11 -0.8345 3 O 1.4554 1.9382 -0.5982 O.2 1 UNL11 -0.8649 4 O 2.4548 -0.3518 -0.7671 O.2 1 UNL11 -0.8842 5 O 0.4358 -2.3265 0.7173 O.3 1 UNL11 -0.5447 6 O -0.6237 -1.9605 -1.2165 O.2 1 UNL11 -0.4807 7 O -3.4389 1.0775 -0.5187 O.3 1 UNL11 -0.5553 8 O -2.6599 -0.0061 1.2699 O.2 1 UNL11 -0.5078 9 C -0.0309 -0.0840 0.2122 C.3 1 UNL11 -0.5027 10 C -1.1266 0.7223 -0.4800 C.3 1 UNL11 -0.3342 11 C -0.1193 -1.5220 -0.2190 C.2 1 UNL11 0.6524 12 C -2.4407 0.5277 0.2153 C.2 1 UNL11 0.6458 13 H -0.1978 -0.0465 1.3379 H 1 UNL11 0.2456 14 H -1.2297 0.4383 -1.5600 H 1 UNL11 0.2125 15 H -0.9024 1.8222 -0.5145 H 1 UNL11 0.2192 16 H 3.0388 0.3708 1.6401 H 1 UNL11 0.3978 17 H 0.4321 -3.2869 0.4674 H 1 UNL11 0.3658 18 H -4.3359 0.9745 -0.1119 H 1 UNL11 0.3609 @BOND 1 1 2 1 2 1 3 2 3 1 4 2 4 1 9 1 5 2 16 1 6 5 11 1 7 5 17 1 8 6 11 2 9 7 12 1 10 7 18 1 11 8 12 2 12 9 10 1 13 9 11 1 14 9 13 1 15 10 12 1 16 10 14 1 17 10 15 1