@MOLECULE 4-morpholinesulfonic acid 19 19 0 0 0 SMALL GASTEIGER @ATOM 1 S -1.5072 0.0099 0.1588 S.O2 1 UNL11 2.5000 2 O 2.9934 -0.0105 -0.2075 O.3 1 UNL11 -0.3852 3 O -1.7099 0.0417 -1.4864 O.3 1 UNL11 -0.8587 4 O -1.9914 1.2486 0.6917 O.2 1 UNL11 -0.8573 5 O -2.0226 -1.2630 0.5823 O.2 1 UNL11 -0.8939 6 N 0.2162 0.0009 0.2306 N.3 1 UNL11 -0.7035 7 C 0.8969 1.2118 -0.2716 C.3 1 UNL11 -0.1245 8 C 0.8955 -1.2306 -0.2192 C.3 1 UNL11 -0.1243 9 C 2.3559 1.1759 0.2281 C.3 1 UNL11 -0.0466 10 C 2.3526 -1.1717 0.2863 C.3 1 UNL11 -0.0463 11 H 0.3909 2.1238 0.1241 H 1 UNL11 0.1635 12 H 0.8827 1.2721 -1.3841 H 1 UNL11 0.1420 13 H 0.8887 -1.3365 -1.3278 H 1 UNL11 0.1392 14 H 0.3875 -2.1251 0.2118 H 1 UNL11 0.1625 15 H 2.9675 1.9711 -0.2325 H 1 UNL11 0.1383 16 H 2.4118 1.2473 1.3286 H 1 UNL11 0.1326 17 H 2.4017 -1.1858 1.3894 H 1 UNL11 0.1327 18 H 2.9661 -1.9902 -0.1281 H 1 UNL11 0.1378 19 H -2.4842 -0.3977 -1.8555 H 1 UNL11 0.3918 @BOND 1 1 3 1 2 1 4 2 3 1 5 2 4 1 6 1 5 2 9 1 6 2 10 1 7 3 19 1 8 6 7 1 9 6 8 1 10 7 9 1 11 7 11 1 12 7 12 1 13 8 10 1 14 8 13 1 15 8 14 1 16 9 15 1 17 9 16 1 18 10 17 1 19 10 18 1