@MOLECULE 2,3-dihydroxy-1-propanesulfonic acid 17 16 0 0 0 SMALL GASTEIGER @ATOM 1 S -1.4538 0.0570 0.1514 S.O2 1 UNL1111111111 2.4209 2 O 1.3770 -1.2632 -0.2402 O.3 1 UNL1111111111 -0.5942 3 O -2.2420 0.0060 -1.2998 O.3 1 UNL1111111111 -0.8453 4 O 3.7078 0.1956 0.3128 O.3 1 UNL1111111111 -0.5391 5 O -2.2041 0.9445 0.9925 O.2 1 UNL1111111111 -0.8861 6 O -1.2056 -1.3058 0.5639 O.2 1 UNL1111111111 -0.9240 7 C 1.3039 0.0763 0.1871 C.3 1 UNL1111111111 0.1457 8 C 0.0649 0.7784 -0.3996 C.3 1 UNL1111111111 -0.6639 9 C 2.5941 0.7088 -0.3797 C.3 1 UNL1111111111 -0.0262 10 H 1.3179 0.0955 1.3022 H 1 UNL1111111111 0.1383 11 H 0.0948 1.8613 -0.1626 H 1 UNL1111111111 0.1959 12 H 0.1180 0.7255 -1.5127 H 1 UNL1111111111 0.2103 13 H 2.6471 1.7956 -0.1962 H 1 UNL1111111111 0.1398 14 H 2.7076 0.4954 -1.4582 H 1 UNL1111111111 0.1317 15 H 0.6011 -1.7864 0.0920 H 1 UNL1111111111 0.3702 16 H -3.1698 -0.2557 -1.3125 H 1 UNL1111111111 0.3938 17 H 3.7000 -0.7883 0.2620 H 1 UNL1111111111 0.3322 @BOND 1 1 3 1 2 1 5 2 3 1 6 2 4 1 8 1 5 2 7 1 6 2 15 1 7 3 16 1 8 4 9 1 9 4 17 1 10 7 8 1 11 7 9 1 12 7 10 1 13 8 11 1 14 8 12 1 15 9 13 1 16 9 14 1