@MOLECULE 1-[(R)-isohexylsulfinyl]-1-methyl-cyclobutane 35 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.1001 -0.0815 -0.3674 C.3 1 UNL11111111 -0.0618 2 C 4.6082 0.9611 0.6362 C.3 1 UNL11111111 -0.4560 3 C 5.1365 -1.2030 -0.5156 C.3 1 UNL11111111 -0.4574 4 C 2.7525 -0.6759 0.0852 C.3 1 UNL11111111 -0.2885 5 C 1.6062 0.3311 -0.0944 C.3 1 UNL11111111 -0.2512 6 C 0.3089 -0.2384 0.4707 C.3 1 UNL11111111 -0.4863 7 S -1.0722 0.9546 0.2008 S.O 1 UNL11111111 1.0184 8 O -1.0560 1.2853 -1.2474 O.2 1 UNL11111111 -0.7882 9 C -2.4954 -0.1987 0.4540 C.3 1 UNL11111111 -0.1514 10 C -2.5687 -0.6129 1.9060 C.3 1 UNL11111111 -0.4557 11 C -3.8238 0.3879 -0.1062 C.3 1 UNL11111111 -0.2769 12 C -3.9452 -0.8095 -1.0840 C.3 1 UNL11111111 -0.2658 13 C -2.6017 -1.3760 -0.5551 C.3 1 UNL11111111 -0.2885 14 H 3.9613 0.4125 -1.3599 H 1 UNL11111111 0.1352 15 H 4.7568 0.5232 1.6283 H 1 UNL11111111 0.1408 16 H 5.5660 1.3848 0.3156 H 1 UNL11111111 0.1429 17 H 3.9025 1.7917 0.7437 H 1 UNL11111111 0.1426 18 H 5.2876 -1.7362 0.4285 H 1 UNL11111111 0.1422 19 H 4.8265 -1.9380 -1.2662 H 1 UNL11111111 0.1436 20 H 6.1082 -0.8050 -0.8275 H 1 UNL11111111 0.1446 21 H 2.5351 -1.5903 -0.4990 H 1 UNL11111111 0.1384 22 H 2.8204 -0.9990 1.1389 H 1 UNL11111111 0.1339 23 H 1.8682 1.2876 0.3985 H 1 UNL11111111 0.1408 24 H 1.4900 0.5735 -1.1739 H 1 UNL11111111 0.1628 25 H 0.0886 -1.2128 0.0034 H 1 UNL11111111 0.1590 26 H 0.3997 -0.4198 1.5537 H 1 UNL11111111 0.1547 27 H -2.6416 0.2454 2.5875 H 1 UNL11111111 0.1520 28 H -3.4640 -1.2269 2.0908 H 1 UNL11111111 0.1571 29 H -1.7124 -1.2234 2.2186 H 1 UNL11111111 0.1460 30 H -4.6290 0.4617 0.6281 H 1 UNL11111111 0.1373 31 H -3.7405 1.3585 -0.6099 H 1 UNL11111111 0.1580 32 H -4.8099 -1.4529 -0.9130 H 1 UNL11111111 0.1344 33 H -3.9277 -0.5281 -2.1415 H 1 UNL11111111 0.1498 34 H -1.8176 -1.4162 -1.3201 H 1 UNL11111111 0.1548 35 H -2.6743 -2.3634 -0.0939 H 1 UNL11111111 0.1385 @BOND 1 33 12 1 2 19 3 1 3 34 13 1 4 32 12 1 5 12 13 1 6 12 11 1 7 35 13 1 8 21 4 1 9 13 9 1 10 20 3 1 11 3 18 1 12 3 1 1 13 14 1 1 14 24 5 1 15 25 6 1 16 8 7 2 17 1 4 1 18 1 2 1 19 4 5 1 20 4 22 1 21 5 6 1 22 5 23 1 23 11 31 1 24 11 9 1 25 11 30 1 26 6 7 1 27 6 26 1 28 9 7 1 29 9 10 1 30 16 2 1 31 2 17 1 32 2 15 1 33 28 10 1 34 29 10 1 35 10 27 1