@MOLECULE butyl-ethyl-methyl-sulfonium 25 24 0 0 0 SMALL USER_CHARGES @ATOM 1 C -4.1991 0.0397 -0.0311 C.3 1 UNL111 -0.4364 2 C -2.8620 -0.6591 -0.2771 C.3 1 UNL111 -0.2543 3 C -1.6941 0.2194 0.1995 C.3 1 UNL111 -0.2709 4 C -0.3686 -0.4820 -0.0782 C.3 1 UNL111 -0.1504 5 S 1.0318 0.5737 0.5273 S.3 1 UNL111 -0.3173 6 C 1.6192 1.6746 -0.8248 C.3 1 UNL111 -0.3198 7 C 2.4082 -0.6627 0.6333 C.3 1 UNL111 -0.1681 8 C 2.7058 -1.4156 -0.6519 C.3 1 UNL111 -0.4631 9 H -4.2596 0.9898 -0.5737 H 1 UNL111 0.1421 10 H -5.0392 -0.5817 -0.3589 H 1 UNL111 0.1376 11 H -4.3460 0.2590 1.0327 H 1 UNL111 0.1437 12 H -2.8425 -1.6322 0.2486 H 1 UNL111 0.1329 13 H -2.7497 -0.8899 -1.3529 H 1 UNL111 0.1307 14 H -1.7337 1.2059 -0.3008 H 1 UNL111 0.1450 15 H -1.8010 0.4370 1.2816 H 1 UNL111 0.1554 16 H -0.3060 -1.4423 0.4606 H 1 UNL111 0.1322 17 H -0.2337 -0.6752 -1.1541 H 1 UNL111 0.1205 18 H 0.9113 2.5072 -0.8894 H 1 UNL111 0.1506 19 H 2.6057 2.0612 -0.5579 H 1 UNL111 0.1421 20 H 1.6650 1.1538 -1.7815 H 1 UNL111 0.1261 21 H 3.2902 -0.0952 0.9789 H 1 UNL111 0.1402 22 H 2.1205 -1.3525 1.4464 H 1 UNL111 0.1403 23 H 3.5053 -2.1527 -0.4919 H 1 UNL111 0.1486 24 H 1.8368 -1.9697 -1.0262 H 1 UNL111 0.1459 25 H 3.0449 -0.7509 -1.4558 H 1 UNL111 0.1464 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 5 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 3 14 1 14 3 15 1 15 4 16 1 16 4 17 1 17 6 18 1 18 6 19 1 19 6 20 1 20 7 21 1 21 7 22 1 22 8 23 1 23 8 24 1 24 8 25 1