@MOLECULE ethyl-[(dimethoxyphosphoryl)sulfanyl](phenyl)acetat 36 36 0 0 0 SMALL USER_CHARGES @ATOM 1 S -0.0059 -1.2716 0.1225 S.3 1 UNL111111 0.1782 2 P 2.0167 -0.9242 -0.4493 P.3 1 UNL111111 0.2175 3 O 0.1293 2.2826 -0.4383 O.3 1 UNL111111 -0.4097 4 O 2.3669 -0.0746 0.8664 O.3 1 UNL111111 -0.3228 5 O 2.8163 -2.3111 -0.3536 O.3 1 UNL111111 -0.2407 6 O -0.7576 1.6714 1.5338 O.2 1 UNL111111 -0.4988 7 O 2.3659 -0.3567 -1.7516 O.2 1 UNL111111 -0.2744 8 C -0.9562 0.2366 -0.4413 C.3 1 UNL111111 -0.2397 9 C -2.3848 -0.1405 -0.2295 C.ar 1 UNL111111 -0.0225 10 C -0.5430 1.4375 0.3733 C.2 1 UNL111111 0.6012 11 C -2.9602 -0.1538 1.0436 C.ar 1 UNL111111 -0.1246 12 C -3.1571 -0.4942 -1.3413 C.ar 1 UNL111111 -0.1382 13 C -4.2972 -0.5110 1.2026 C.ar 1 UNL111111 -0.1570 14 C -4.4920 -0.8511 -1.1775 C.ar 1 UNL111111 -0.1590 15 C -5.0651 -0.8591 0.0936 C.ar 1 UNL111111 -0.1370 16 C 0.7487 3.4197 0.1845 C.3 1 UNL111111 0.0085 17 C 1.7427 3.9037 -0.8587 C.3 1 UNL111111 -0.4645 18 C 3.6213 0.5879 1.0791 C.3 1 UNL111111 -0.1627 19 C 2.8494 -3.1466 0.8163 C.3 1 UNL111111 -0.1919 20 H -0.7612 0.4457 -1.5324 H 1 UNL111111 0.2091 21 H -2.3685 0.1231 1.9218 H 1 UNL111111 0.1841 22 H -2.7175 -0.4934 -2.3388 H 1 UNL111111 0.1566 23 H -4.7411 -0.5155 2.1963 H 1 UNL111111 0.1513 24 H -5.0908 -1.1238 -2.0435 H 1 UNL111111 0.1484 25 H -6.1096 -1.1361 0.2184 H 1 UNL111111 0.1467 26 H -0.0469 4.1509 0.4051 H 1 UNL111111 0.1282 27 H 1.2348 3.1033 1.1244 H 1 UNL111111 0.1371 28 H 2.4397 3.0991 -1.1399 H 1 UNL111111 0.1714 29 H 1.2365 4.2136 -1.7821 H 1 UNL111111 0.1588 30 H 2.3290 4.7502 -0.4884 H 1 UNL111111 0.1489 31 H 4.4523 -0.1146 1.2169 H 1 UNL111111 0.1253 32 H 3.4026 1.1059 2.0293 H 1 UNL111111 0.1363 33 H 3.8696 1.3240 0.3027 H 1 UNL111111 0.1312 34 H 1.9549 -3.7814 0.8741 H 1 UNL111111 0.1298 35 H 3.0174 -2.6280 1.7682 H 1 UNL111111 0.1348 36 H 3.7309 -3.7688 0.5794 H 1 UNL111111 0.1402 @BOND 1 22 12 1 2 24 14 1 3 29 17 1 4 7 2 2 5 20 8 1 6 12 14 ar 7 12 9 ar 8 14 15 ar 9 28 17 1 10 17 30 1 11 17 16 1 12 2 5 1 13 2 1 1 14 2 4 1 15 8 9 1 16 8 1 1 17 8 10 1 18 3 16 1 19 3 10 1 20 5 19 1 21 9 11 ar 22 15 25 1 23 15 13 ar 24 16 26 1 25 16 27 1 26 33 18 1 27 10 6 2 28 36 19 1 29 19 34 1 30 19 35 1 31 4 18 1 32 11 13 ar 33 11 21 1 34 18 31 1 35 18 32 1 36 13 23 1