@MOLECULE sulfoacetic acid 12 11 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.2600 0.7651 -1.2497 O.2 1 UNL11111111111111 -0.8665 2 S -1.0250 0.1122 0.0024 S.O2 1 UNL11111111111111 2.4206 3 O -1.2395 0.7698 1.2548 O.2 1 UNL11111111111111 -0.8615 4 O -1.9723 -1.2511 0.0058 O.3 1 UNL11111111111111 -0.8609 5 C 0.5075 -0.8081 -0.0053 C.3 1 UNL11111111111111 -0.6742 6 C 1.7487 0.0103 -0.0034 C.2 1 UNL11111111111111 0.6606 7 O 1.8949 1.2009 -0.0076 O.2 1 UNL11111111111111 -0.4676 8 O 2.8231 -0.8259 0.0028 O.3 1 UNL11111111111111 -0.5639 9 H -2.9268 -1.1519 -0.0553 H 1 UNL11111111111111 0.3928 10 H 0.5229 -1.5127 0.8660 H 1 UNL11111111111111 0.2297 11 H 0.5206 -1.5038 -0.8838 H 1 UNL11111111111111 0.2293 12 H 3.6917 -0.3508 0.0027 H 1 UNL11111111111111 0.3616 @BOND 1 1 2 2 2 2 3 2 3 2 4 1 4 2 5 1 5 4 9 1 6 5 6 1 7 5 10 1 8 5 11 1 9 6 7 2 10 6 8 1 11 8 12 1