@MOLECULE (2S)-2-[(R)-isohexylsulfinyl]-1,1-dimethyl-cyclopropane 35 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C -4.3882 -0.0817 -0.2721 C.3 1 UNL11111111 -0.0649 2 C -5.5278 -1.0775 -0.0161 C.3 1 UNL11111111 -0.4592 3 C -4.6747 1.2329 0.4623 C.3 1 UNL11111111 -0.4536 4 C -3.0531 -0.6960 0.1901 C.3 1 UNL11111111 -0.2873 5 C -1.8505 0.1156 -0.3163 C.3 1 UNL11111111 -0.2483 6 C -0.5486 -0.5376 0.1368 C.3 1 UNL11111111 -0.4941 7 S 0.8919 0.4763 -0.4123 S.O 1 UNL11111111 1.0869 8 O 0.8743 1.6990 0.4289 O.2 1 UNL11111111 -0.7930 9 C 2.1775 -0.6056 0.2723 C.3 1 UNL11111111 -0.4500 10 H 1.9038 -1.0152 1.2490 H 1 UNL11111111 0.1708 11 C 3.0003 -1.4591 -0.6591 C.3 1 UNL11111111 -0.3398 12 C 3.6537 -0.2925 0.0554 C.3 1 UNL11111111 0.1056 13 C 4.0739 0.9214 -0.7324 C.3 1 UNL11111111 -0.4538 14 C 4.5830 -0.5840 1.2100 C.3 1 UNL11111111 -0.4512 15 H -4.3318 0.1228 -1.3679 H 1 UNL11111111 0.1262 16 H -6.4927 -0.6641 -0.3288 H 1 UNL11111111 0.1447 17 H -5.3760 -2.0109 -0.5671 H 1 UNL11111111 0.1387 18 H -5.6075 -1.3284 1.0472 H 1 UNL11111111 0.1466 19 H -5.6284 1.6663 0.1438 H 1 UNL11111111 0.1418 20 H -4.7252 1.0836 1.5464 H 1 UNL11111111 0.1473 21 H -3.8941 1.9780 0.2712 H 1 UNL11111111 0.1471 22 H -3.0320 -0.7568 1.2939 H 1 UNL11111111 0.1417 23 H -2.9787 -1.7380 -0.1719 H 1 UNL11111111 0.1326 24 H -1.8969 0.1979 -1.4191 H 1 UNL11111111 0.1358 25 H -1.9178 1.1553 0.0716 H 1 UNL11111111 0.1586 26 H -0.5455 -0.6457 1.2355 H 1 UNL11111111 0.1633 27 H -0.4480 -1.5518 -0.2815 H 1 UNL11111111 0.1561 28 H 3.2432 -2.4778 -0.3673 H 1 UNL11111111 0.1572 29 H 2.8499 -1.4187 -1.7343 H 1 UNL11111111 0.1589 30 H 3.6112 0.9733 -1.7248 H 1 UNL11111111 0.1514 31 H 3.8033 1.8479 -0.1988 H 1 UNL11111111 0.1739 32 H 5.1598 0.9420 -0.8881 H 1 UNL11111111 0.1496 33 H 5.6049 -0.7767 0.8604 H 1 UNL11111111 0.1509 34 H 4.6238 0.2703 1.9009 H 1 UNL11111111 0.1617 35 H 4.2694 -1.4573 1.7939 H 1 UNL11111111 0.1480 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 7 8 2 8 7 9 1 9 9 10 1 10 9 11 1 11 11 12 1 12 9 12 1 13 12 13 1 14 12 14 1 15 1 15 1 16 2 16 1 17 2 17 1 18 2 18 1 19 3 19 1 20 3 20 1 21 3 21 1 22 4 22 1 23 4 23 1 24 5 24 1 25 5 25 1 26 6 26 1 27 6 27 1 28 11 28 1 29 11 29 1 30 13 30 1 31 13 31 1 32 13 32 1 33 14 33 1 34 14 34 1 35 14 35 1