@MOLECULE (2r)-2-hydroxy-3-sulfopropanoic acid 16 15 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.7149 -1.3911 -0.4791 O.3 1 UNL1111111111 -0.5491 2 C -2.4193 -0.1936 0.0695 C.2 1 UNL1111111111 0.5761 3 O -3.1591 0.3678 0.8306 O.2 1 UNL1111111111 -0.4949 4 C -1.0508 0.2925 -0.4045 C.3 1 UNL1111111111 0.1188 5 O -1.0692 1.6888 -0.4419 O.3 1 UNL1111111111 -0.5109 6 C 0.0073 -0.2334 0.5610 C.3 1 UNL1111111111 -0.6455 7 S 1.6761 0.0042 -0.0262 S.O2 1 UNL1111111111 2.4185 8 O 2.3340 1.0873 0.6481 O.2 1 UNL1111111111 -0.8897 9 O 1.7428 -0.1463 -1.4495 O.2 1 UNL1111111111 -0.8723 10 O 2.2905 -1.3771 0.6609 O.3 1 UNL1111111111 -0.8585 11 H -3.6051 -1.7454 -0.2256 H 1 UNL1111111111 0.3616 12 H -0.8667 0.0084 -1.4785 H 1 UNL1111111111 0.2061 13 H -1.4191 2.0777 0.3968 H 1 UNL1111111111 0.3357 14 H -0.1062 0.2446 1.5586 H 1 UNL1111111111 0.2006 15 H -0.1527 -1.3218 0.7500 H 1 UNL1111111111 0.2122 16 H 3.2408 -1.4329 0.8026 H 1 UNL1111111111 0.3915 @BOND 1 1 2 1 2 1 11 1 3 2 3 2 4 2 4 1 5 4 5 1 6 4 6 1 7 4 12 1 8 5 13 1 9 6 7 1 10 6 14 1 11 6 15 1 12 7 8 2 13 7 9 2 14 7 10 1 15 10 16 1