@MOLECULE 4-sulfooxypiperidine-2-carboxylic acid 25 25 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.7424 0.4328 0.0859 S.O2 1 UNL1111111111 2.5536 2 O -1.3329 -0.0136 -0.6181 O.3 1 UNL1111111111 -0.7304 3 O 3.0518 2.0489 -0.2727 O.3 1 UNL1111111111 -0.5477 4 OXT 4.5840 0.4775 0.1226 O.2 1 UNL1111111111 -0.4998 5 O -3.5694 -0.9827 -0.0645 O.3 1 UNL1111111111 -0.8201 6 O -2.4979 0.6758 1.4755 O.2 1 UNL1111111111 -0.8751 7 O -3.4041 1.3666 -0.7753 O.2 1 UNL1111111111 -0.8726 8 N 2.4969 -1.4023 -0.1832 N.3 1 UNL1111111111 -0.5480 9 C -0.2209 -0.4871 0.1365 C.3 1 UNL1111111111 0.2220 10 C 0.9225 0.4922 -0.1649 C.3 1 UNL1111111111 -0.3147 11 CA 2.2279 -0.0743 0.4143 C.3 1 UNL1111111111 -0.0153 12 C 0.0934 -1.8806 -0.4227 C.3 1 UNL1111111111 -0.3274 13 C 1.4327 -2.3725 0.1506 C.3 1 UNL1111111111 -0.0963 14 C 3.4253 0.7938 0.0686 C.2 1 UNL1111111111 0.6169 15 H -0.4567 -0.5209 1.2245 H 1 UNL1111111111 0.1357 16 H 0.7110 1.4972 0.2464 H 1 UNL1111111111 0.1686 17 H 1.0136 0.6345 -1.2635 H 1 UNL1111111111 0.1860 18 HA 2.1553 -0.1086 1.5381 H 1 UNL1111111111 0.1456 19 H 0.1504 -1.8284 -1.5307 H 1 UNL1111111111 0.1765 20 H -0.7175 -2.5930 -0.1929 H 1 UNL1111111111 0.1511 21 H 1.3407 -2.5571 1.2428 H 1 UNL1111111111 0.1147 22 H 1.7086 -3.3429 -0.3217 H 1 UNL1111111111 0.1459 23 H 3.4246 -1.7447 0.0737 H 1 UNL1111111111 0.2796 24 H 3.8159 2.6389 -0.5006 H 1 UNL1111111111 0.3586 25 H -4.2322 -1.0171 -0.7730 H 1 UNL1111111111 0.3924 @BOND 1 1 2 1 2 1 5 1 3 1 6 2 4 1 7 2 5 2 9 1 6 3 14 1 7 3 24 1 8 4 14 2 9 5 25 1 10 8 11 1 11 8 13 1 12 8 23 1 13 9 10 1 14 9 12 1 15 9 15 1 16 10 11 1 17 10 16 1 18 10 17 1 19 11 14 1 20 11 18 1 21 12 13 1 22 12 19 1 23 12 20 1 24 13 21 1 25 13 22 1