@MOLECULE 1-[(R)-isohexylsulfinyl]-1-methyl-cyclopropane 32 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.8637 -0.0473 -0.1725 C.3 1 UNL1111111 -0.0644 2 C -4.9887 -1.0395 0.1541 C.3 1 UNL1111111 -0.4588 3 C -4.0870 1.2621 0.5930 C.3 1 UNL1111111 -0.4534 4 C -2.5013 -0.6698 0.1894 C.3 1 UNL1111111 -0.2874 5 C -1.3387 0.0986 -0.4588 C.3 1 UNL1111111 -0.2507 6 C -0.0068 -0.4947 -0.0114 C.3 1 UNL1111111 -0.4925 7 S 1.3917 0.4006 -0.8095 S.O 1 UNL1111111 1.0753 8 O 1.3431 1.7910 -0.2894 O.2 1 UNL1111111 -0.7966 9 C 2.7522 -0.4248 0.0941 C.3 1 UNL1111111 -0.2265 10 C 3.0557 -1.7816 -0.4699 C.3 1 UNL1111111 -0.4306 11 C 3.8827 0.4492 0.5910 C.3 1 UNL1111111 -0.2946 12 C 2.9350 -0.1809 1.5771 C.3 1 UNL1111111 -0.3162 13 H -3.8843 0.1675 -1.2679 H 1 UNL1111111 0.1276 14 H -5.9707 -0.6170 -0.0859 H 1 UNL1111111 0.1453 15 H -4.8822 -1.9677 -0.4161 H 1 UNL1111111 0.1382 16 H -4.9952 -1.3013 1.2178 H 1 UNL1111111 0.1459 17 H -4.0912 1.0980 1.6761 H 1 UNL1111111 0.1461 18 H -3.2987 1.9929 0.3763 H 1 UNL1111111 0.1482 19 H -5.0440 1.7215 0.3247 H 1 UNL1111111 0.1426 20 H -2.3803 -0.6895 1.2882 H 1 UNL1111111 0.1411 21 H -2.4748 -1.7261 -0.1360 H 1 UNL1111111 0.1319 22 H -1.4458 0.0694 -1.5605 H 1 UNL1111111 0.1375 23 H -1.3966 1.1726 -0.1770 H 1 UNL1111111 0.1604 24 H 0.0796 -0.4417 1.0885 H 1 UNL1111111 0.1644 25 H 0.0601 -1.5613 -0.2787 H 1 UNL1111111 0.1552 26 H 3.2895 -1.7466 -1.5439 H 1 UNL1111111 0.1543 27 H 3.9335 -2.2335 0.0176 H 1 UNL1111111 0.1547 28 H 2.2292 -2.4909 -0.3256 H 1 UNL1111111 0.1466 29 H 4.9075 0.0988 0.5147 H 1 UNL1111111 0.1526 30 H 3.8470 1.5305 0.4342 H 1 UNL1111111 0.1798 31 H 2.2359 0.4531 2.1224 H 1 UNL1111111 0.1693 32 H 3.2734 -0.9922 2.2156 H 1 UNL1111111 0.1547 @BOND 1 22 5 1 2 26 10 1 3 13 1 1 4 7 8 2 5 7 6 1 6 7 9 1 7 10 28 1 8 10 27 1 9 10 9 1 10 5 23 1 11 5 6 1 12 5 4 1 13 15 2 1 14 25 6 1 15 1 2 1 16 1 4 1 17 1 3 1 18 21 4 1 19 14 2 1 20 6 24 1 21 9 11 1 22 9 12 1 23 2 16 1 24 4 20 1 25 19 3 1 26 18 3 1 27 30 11 1 28 29 11 1 29 11 12 1 30 3 17 1 31 12 31 1 32 12 32 1