@MOLECULE 2-(ethylsulfanyl)butane 21 20 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.5076 1.4264 -0.3931 C.3 1 UNL11111111 -0.4394 2 C 2.1943 0.0707 0.2392 C.3 1 UNL11111111 -0.2585 3 C 0.8930 -0.5373 -0.2949 C.3 1 UNL11111111 -0.1113 4 H 0.8269 -0.3756 -1.3949 H 1 UNL11111111 0.1447 5 C 0.8299 -2.0285 0.0119 C.3 1 UNL11111111 -0.4588 6 S -0.5308 0.3544 0.4978 S.3 1 UNL11111111 -0.1015 7 C -1.9501 -0.2118 -0.5344 C.3 1 UNL11111111 -0.2851 8 C -3.2095 0.5035 -0.0774 C.3 1 UNL11111111 -0.4293 9 H 3.4700 1.8123 -0.0385 H 1 UNL11111111 0.1420 10 H 2.5592 1.3620 -1.4853 H 1 UNL11111111 0.1414 11 H 1.7490 2.1796 -0.1464 H 1 UNL11111111 0.1571 12 H 3.0306 -0.6295 0.0299 H 1 UNL11111111 0.1415 13 H 2.1720 0.1609 1.3441 H 1 UNL11111111 0.1495 14 H 1.6748 -2.5601 -0.4468 H 1 UNL11111111 0.1494 15 H 0.8717 -2.2316 1.0907 H 1 UNL11111111 0.1596 16 H -0.0831 -2.4993 -0.3714 H 1 UNL11111111 0.1464 17 H -1.7402 -0.0005 -1.5976 H 1 UNL11111111 0.1469 18 H -2.0626 -1.3059 -0.4354 H 1 UNL11111111 0.1478 19 H -4.0748 0.1869 -0.6761 H 1 UNL11111111 0.1470 20 H -3.4543 0.2916 0.9727 H 1 UNL11111111 0.1550 21 H -3.1323 1.5948 -0.1809 H 1 UNL11111111 0.1554 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 1 7 7 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 7 17 1 17 7 18 1 18 8 19 1 19 8 20 1 20 8 21 1