@MOLECULE 2-[(r)-octylsulfinyl]ethanol 35 34 0 0 0 SMALL GASTEIGER @ATOM 1 C -7.6343 -0.2025 0.0528 C.3 1 UNL1111111111 -0.4395 2 C -6.3588 0.6057 -0.1854 C.3 1 UNL1111111111 -0.2512 3 C -5.1124 -0.2445 0.0939 C.3 1 UNL1111111111 -0.2701 4 C -3.8333 0.5670 -0.1494 C.3 1 UNL1111111111 -0.2766 5 C -2.5911 -0.2867 0.1338 C.3 1 UNL1111111111 -0.2755 6 C -1.3078 0.5162 -0.1146 C.3 1 UNL1111111111 -0.2718 7 C -0.0718 -0.3405 0.2033 C.3 1 UNL1111111111 -0.2516 8 C 1.2073 0.4533 -0.0490 C.3 1 UNL1111111111 -0.5013 9 S 2.6731 -0.5684 0.3964 S.O 1 UNL1111111111 1.0861 10 C 3.9650 0.6926 0.0311 C.3 1 UNL1111111111 -0.5637 11 C 5.3451 0.0412 0.0562 C.3 1 UNL1111111111 0.0286 12 O 2.8115 -1.5924 -0.6657 O.2 1 UNL1111111111 -0.7940 13 O 6.3401 1.0325 -0.1131 O.3 1 UNL1111111111 -0.5522 14 H -7.6969 -0.5566 1.0877 H 1 UNL1111111111 0.1420 15 H -8.5285 0.3993 -0.1439 H 1 UNL1111111111 0.1407 16 H -7.6791 -1.0813 -0.6003 H 1 UNL1111111111 0.1432 17 H -6.3367 0.9784 -1.2269 H 1 UNL1111111111 0.1347 18 H -6.3555 1.5050 0.4587 H 1 UNL1111111111 0.1329 19 H -5.1347 -0.6162 1.1350 H 1 UNL1111111111 0.1355 20 H -5.1184 -1.1444 -0.5493 H 1 UNL1111111111 0.1386 21 H -3.8109 0.9348 -1.1924 H 1 UNL1111111111 0.1391 22 H -3.8291 1.4687 0.4904 H 1 UNL1111111111 0.1346 23 H -2.6150 -0.6522 1.1772 H 1 UNL1111111111 0.1350 24 H -2.6012 -1.1911 -0.5042 H 1 UNL1111111111 0.1420 25 H -1.2737 0.8584 -1.1658 H 1 UNL1111111111 0.1396 26 H -1.3074 1.4319 0.5043 H 1 UNL1111111111 0.1335 27 H -0.1290 -0.6897 1.2530 H 1 UNL1111111111 0.1388 28 H -0.0898 -1.2576 -0.4244 H 1 UNL1111111111 0.1567 29 H 1.2540 0.7600 -1.1090 H 1 UNL1111111111 0.1652 30 H 1.2164 1.3800 0.5469 H 1 UNL1111111111 0.1564 31 H 3.7942 1.1735 -0.9454 H 1 UNL1111111111 0.1625 32 H 3.9135 1.4963 0.7853 H 1 UNL1111111111 0.1722 33 H 5.6078 -0.3866 1.0440 H 1 UNL1111111111 0.1424 34 H 5.4648 -0.7348 -0.7254 H 1 UNL1111111111 0.1351 35 H 6.2995 1.4193 -1.0084 H 1 UNL1111111111 0.3118 @BOND 1 1 2 1 2 1 14 1 3 1 15 1 4 1 16 1 5 2 3 1 6 2 17 1 7 2 18 1 8 3 4 1 9 3 19 1 10 3 20 1 11 4 5 1 12 4 21 1 13 4 22 1 14 5 6 1 15 5 23 1 16 5 24 1 17 6 7 1 18 6 25 1 19 6 26 1 20 7 8 1 21 7 27 1 22 7 28 1 23 8 9 1 24 8 29 1 25 8 30 1 26 9 10 1 27 9 12 2 28 10 11 1 29 10 31 1 30 10 32 1 31 11 13 1 32 11 33 1 33 11 34 1 34 13 35 1