@MOLECULE 1-[(R)-[(1R)-1-methylpropyl]sulfinyl]butane 28 27 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.3503 1.6300 -0.4974 C.3 1 UNL11111111 -0.4429 2 C 3.1567 0.1558 -0.1402 C.3 1 UNL11111111 -0.2501 3 C 1.8012 -0.3925 -0.5983 C.3 1 UNL11111111 -0.2929 4 H 1.6008 -0.0553 -1.6384 H 1 UNL11111111 0.1437 5 C 1.7993 -1.9134 -0.5388 C.3 1 UNL11111111 -0.4504 6 S 0.4666 0.3226 0.4891 S.O 1 UNL11111111 1.0260 7 O 0.4236 -0.5271 1.7069 O.2 1 UNL11111111 -0.7896 8 C -0.9878 -0.1612 -0.5362 C.3 1 UNL11111111 -0.4955 9 C -2.2765 0.3066 0.1333 C.3 1 UNL11111111 -0.2494 10 C -3.4952 -0.1064 -0.7087 C.3 1 UNL11111111 -0.2500 11 C -4.7922 0.3670 -0.0532 C.3 1 UNL11111111 -0.4424 12 H 4.3725 1.9548 -0.2694 H 1 UNL11111111 0.1411 13 H 3.1816 1.8137 -1.5635 H 1 UNL11111111 0.1387 14 H 2.6777 2.2866 0.0657 H 1 UNL11111111 0.1496 15 H 3.9664 -0.4387 -0.6134 H 1 UNL11111111 0.1391 16 H 3.2984 0.0023 0.9498 H 1 UNL11111111 0.1538 17 H 0.8983 -2.3555 -0.9792 H 1 UNL11111111 0.1422 18 H 2.6551 -2.3376 -1.0793 H 1 UNL11111111 0.1463 19 H 1.8631 -2.2821 0.4995 H 1 UNL11111111 0.1757 20 H -0.8821 0.2850 -1.5372 H 1 UNL11111111 0.1523 21 H -1.0138 -1.2561 -0.6760 H 1 UNL11111111 0.1633 22 H -2.3686 -0.1304 1.1510 H 1 UNL11111111 0.1580 23 H -2.2813 1.4047 0.2741 H 1 UNL11111111 0.1382 24 H -3.4124 0.3112 -1.7290 H 1 UNL11111111 0.1295 25 H -3.5146 -1.2061 -0.8302 H 1 UNL11111111 0.1361 26 H -5.6672 0.0645 -0.6388 H 1 UNL11111111 0.1407 27 H -4.9094 -0.0537 0.9525 H 1 UNL11111111 0.1481 28 H -4.8208 1.4578 0.0412 H 1 UNL11111111 0.1405 @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 9 10 1 10 10 11 1 11 1 12 1 12 1 13 1 13 1 14 1 14 2 15 1 15 2 16 1 16 5 17 1 17 5 18 1 18 5 19 1 19 8 20 1 20 8 21 1 21 9 22 1 22 9 23 1 23 10 24 1 24 10 25 1 25 11 26 1 26 11 27 1 27 11 28 1