@MOLECULE thiophosphonoacetic acid 13 12 0 0 0 SMALL GASTEIGER @ATOM 1 C 1.9164 -0.1368 -0.1708 C.2 1 UNL1111111111 0.6694 2 O 2.3635 -0.1568 1.1122 O.3 1 UNL1111111111 -0.5506 3 O 2.4944 0.4873 -1.0195 O.2 1 UNL1111111111 -0.4920 4 P -0.8837 -0.2027 -0.0218 P.3 1 UNL1111111111 0.2498 5 S -1.0925 1.6695 0.1563 S.2 1 UNL1111111111 -0.1771 6 C 0.7279 -1.0405 -0.3206 C.3 1 UNL1111111111 -0.2774 7 O -1.6277 -0.9547 -1.2410 O.3 1 UNL1111111111 -0.4447 8 O -1.3087 -1.1588 1.2057 O.3 1 UNL1111111111 -0.4408 9 H 3.1334 0.4437 1.2703 H 1 UNL1111111111 0.3534 10 H 0.8079 -1.9256 0.3937 H 1 UNL1111111111 0.2351 11 H 0.7185 -1.4789 -1.3721 H 1 UNL1111111111 0.2314 12 H -2.6057 -0.7162 -1.3159 H 1 UNL1111111111 0.3227 13 H -2.1581 -0.8659 1.6657 H 1 UNL1111111111 0.3208 @BOND 1 1 2 1 2 1 3 2 3 1 6 1 4 2 9 1 5 4 5 2 6 4 6 1 7 4 7 1 8 4 8 1 9 6 10 1 10 6 11 1 11 7 12 1 12 8 13 1