@MOLECULE {(1e)-4-[(2-hydroxyphenyl)sulfanyl]-1-buten-1-yl}phosphonic acid 29 29 0 0 0 SMALL GASTEIGER @ATOM 1 P -4.4168 -0.3130 0.2457 P.3 1 UNL1111111111 0.2538 2 O -4.1744 -1.8952 0.3752 O.3 1 UNL1111111111 -0.3739 3 O -5.3843 -0.1962 -1.0381 O.3 1 UNL1111111111 -0.4445 4 O -4.9910 0.1632 1.5028 O.2 1 UNL1111111111 -0.2783 5 C -2.9468 0.4074 -0.4614 C.2 1 UNL1111111111 -0.1461 6 C -1.9494 0.9252 0.2723 C.2 1 UNL1111111111 -0.0127 7 C 0.4987 0.7393 0.0942 C.3 1 UNL1111111111 -0.3048 8 C -0.7301 1.5048 -0.3883 C.3 1 UNL1111111111 -0.2935 9 S 1.9947 1.3955 -0.7655 S.3 1 UNL1111111111 -0.0133 10 O 3.1872 -1.2774 -1.8102 O.3 1 UNL1111111111 -0.4675 11 C 5.2987 -1.1538 1.0842 C.ar 1 UNL1111111111 -0.0495 12 C 4.7101 -1.5705 -0.0983 C.ar 1 UNL1111111111 -0.2620 13 C 3.6943 -0.7796 -0.6618 C.ar 1 UNL1111111111 0.3270 14 C 3.2630 0.4021 -0.0514 C.ar 1 UNL1111111111 -0.2905 15 C 3.8820 0.8053 1.1357 C.ar 1 UNL1111111111 -0.0443 16 C 4.8905 0.0354 1.7008 C.ar 1 UNL1111111111 -0.2395 17 H -3.9140 -2.2946 -0.5233 H 1 UNL1111111111 0.3012 18 H -6.3432 -0.3771 -0.7558 H 1 UNL1111111111 0.3337 19 H -2.9202 0.4063 -1.5724 H 1 UNL1111111111 0.1918 20 H -1.9197 0.9735 1.3683 H 1 UNL1111111111 0.1642 21 H 0.3964 -0.3423 -0.1115 H 1 UNL1111111111 0.1608 22 H 0.6310 0.8415 1.1867 H 1 UNL1111111111 0.1592 23 H -0.8139 1.4737 -1.4954 H 1 UNL1111111111 0.1590 24 H -0.6580 2.5865 -0.1333 H 1 UNL1111111111 0.1665 25 H 2.5303 -0.6733 -2.2481 H 1 UNL1111111111 0.3444 26 H 6.0878 -1.7538 1.5400 H 1 UNL1111111111 0.1552 27 H 5.0126 -2.4875 -0.5994 H 1 UNL1111111111 0.1813 28 H 3.5763 1.7317 1.6288 H 1 UNL1111111111 0.1604 29 H 5.3669 0.3537 2.6251 H 1 UNL1111111111 0.1615 @BOND 1 1 2 1 2 1 3 1 3 1 4 2 4 1 5 1 5 2 17 1 6 3 18 1 7 5 6 2 8 5 19 1 9 6 8 1 10 6 20 1 11 7 8 1 12 7 9 1 13 7 21 1 14 7 22 1 15 8 23 1 16 8 24 1 17 9 14 1 18 10 13 1 19 10 25 1 20 11 12 ar 21 11 16 ar 22 11 26 1 23 12 13 ar 24 12 27 1 25 13 14 ar 26 14 15 ar 27 15 16 ar 28 15 28 1 29 16 29 1