@MOLECULE (2R)-2-[(R)-[(1R)-1-methylpropyl]sulfinyl]pentane 31 30 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.5767 0.8906 -0.3818 C.3 1 UNL11111111 -0.4537 2 C -3.0138 -0.5284 -0.4590 C.3 1 UNL11111111 -0.2416 3 C -1.7385 -0.6961 0.3750 C.3 1 UNL11111111 -0.2938 4 H -1.8690 -0.1549 1.3380 H 1 UNL11111111 0.1529 5 C -1.4676 -2.1717 0.6444 C.3 1 UNL11111111 -0.4469 6 S -0.2760 0.0119 -0.5387 S.O 1 UNL11111111 0.9946 7 O -0.6212 1.4123 -0.9043 O.2 1 UNL11111111 -0.7930 8 C 0.9200 0.1660 0.8852 C.3 1 UNL11111111 -0.2885 9 H 0.9568 -0.8179 1.4004 H 1 UNL11111111 0.1436 10 C 0.4732 1.2452 1.8618 C.3 1 UNL11111111 -0.4503 11 C 2.3043 0.5049 0.3239 C.3 1 UNL11111111 -0.2718 12 C 2.9896 -0.7009 -0.3342 C.3 1 UNL11111111 -0.2499 13 C 4.4121 -0.3367 -0.7636 C.3 1 UNL11111111 -0.4406 14 H -2.8645 1.6339 -0.7794 H 1 UNL11111111 0.1864 15 H -4.4955 0.9856 -0.9689 H 1 UNL11111111 0.1388 16 H -3.8041 1.1845 0.6473 H 1 UNL11111111 0.1382 17 H -3.7837 -1.2401 -0.0942 H 1 UNL11111111 0.1327 18 H -2.8438 -0.8089 -1.5171 H 1 UNL11111111 0.1402 19 H -1.3365 -2.7503 -0.2795 H 1 UNL11111111 0.1517 20 H -0.5863 -2.3400 1.2740 H 1 UNL11111111 0.1411 21 H -2.3149 -2.6270 1.1784 H 1 UNL11111111 0.1516 22 H 0.2903 2.2062 1.3510 H 1 UNL11111111 0.1762 23 H -0.4480 0.9838 2.3946 H 1 UNL11111111 0.1407 24 H 1.2365 1.4334 2.6278 H 1 UNL11111111 0.1477 25 H 2.2463 1.3516 -0.3915 H 1 UNL11111111 0.1586 26 H 2.9488 0.8806 1.1456 H 1 UNL11111111 0.1426 27 H 3.0167 -1.5545 0.3683 H 1 UNL11111111 0.1283 28 H 2.4164 -1.0469 -1.2151 H 1 UNL11111111 0.1405 29 H 4.9131 -1.1854 -1.2404 H 1 UNL11111111 0.1367 30 H 4.4127 0.4909 -1.4825 H 1 UNL11111111 0.1472 31 H 5.0259 -0.0315 0.0905 H 1 UNL11111111 0.1400 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 8 10 1 10 8 11 1 11 11 12 1 12 12 13 1 13 1 14 1 14 1 15 1 15 1 16 1 16 2 17 1 17 2 18 1 18 5 19 1 19 5 20 1 20 5 21 1 21 10 22 1 22 10 23 1 23 10 24 1 24 11 25 1 25 11 26 1 26 12 27 1 27 12 28 1 28 13 29 1 29 13 30 1 30 13 31 1