@MOLECULE (2R)-2-[(S)-methylsulfinyl]butane 19 18 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.3952 0.9453 -0.3610 C.3 1 UNL11111111 -0.4526 2 C 1.8447 -0.3205 0.2954 C.3 1 UNL11111111 -0.2446 3 C 0.4856 -0.7327 -0.2828 C.3 1 UNL11111111 -0.3036 4 H 0.5021 -0.5760 -1.3850 H 1 UNL11111111 0.1573 5 C 0.1981 -2.1968 0.0245 C.3 1 UNL11111111 -0.4485 6 S -0.8494 0.3425 0.4500 S.O 1 UNL11111111 1.0718 7 O -0.6029 1.7076 -0.0822 O.2 1 UNL11111111 -0.8041 8 C -2.2804 -0.2903 -0.4971 C.3 1 UNL11111111 -0.6695 9 H 3.3571 1.2331 0.0748 H 1 UNL11111111 0.1387 10 H 2.5411 0.8139 -1.4381 H 1 UNL11111111 0.1420 11 H 1.7137 1.8035 -0.2369 H 1 UNL11111111 0.1832 12 H 2.5708 -1.1469 0.1450 H 1 UNL11111111 0.1346 13 H 1.7932 -0.1861 1.3937 H 1 UNL11111111 0.1373 14 H 0.9771 -2.8413 -0.4099 H 1 UNL11111111 0.1522 15 H 0.1870 -2.4075 1.1013 H 1 UNL11111111 0.1487 16 H -0.7518 -2.5450 -0.3981 H 1 UNL11111111 0.1436 17 H -2.6846 -1.1869 -0.0255 H 1 UNL11111111 0.1644 18 H -3.0674 0.4737 -0.5069 H 1 UNL11111111 0.1819 19 H -2.0485 -0.5125 -1.5404 H 1 UNL11111111 0.1671 @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 1 9 1 9 1 10 1 10 1 11 1 11 2 12 1 12 2 13 1 13 5 14 1 14 5 15 1 15 5 16 1 16 8 17 1 17 8 18 1 18 8 19 1