@MOLECULE ethyl-methyl-propyl-sulfonium 22 21 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.8398 -1.0219 0.2791 C.3 1 UNL111 -0.4370 2 C 1.3276 -1.0922 0.1491 C.3 1 UNL111 -0.1234 3 S 0.6739 0.4947 -0.5529 S.3 1 UNL111 -0.3265 4 C 0.6376 1.8069 0.7329 C.3 1 UNL111 -0.3209 5 C -1.1293 0.1155 -0.7572 C.3 1 UNL111 -0.1854 6 C -1.8481 -0.3457 0.5063 C.3 1 UNL111 -0.2764 7 C -3.3303 -0.5832 0.2039 C.3 1 UNL111 -0.4369 8 H 3.2473 -1.9719 0.6460 H 1 UNL111 0.1378 9 H 3.3199 -0.8097 -0.6879 H 1 UNL111 0.1609 10 H 3.1581 -0.2339 0.9710 H 1 UNL111 0.1463 11 H 1.0227 -1.8896 -0.5509 H 1 UNL111 0.1338 12 H 0.8496 -1.2805 1.1244 H 1 UNL111 0.1164 13 H 1.6593 2.1883 0.8279 H 1 UNL111 0.1512 14 H -0.0181 2.6126 0.3956 H 1 UNL111 0.1422 15 H 0.2982 1.4226 1.6942 H 1 UNL111 0.1253 16 H -1.5803 1.0391 -1.1595 H 1 UNL111 0.1431 17 H -1.1820 -0.6503 -1.5501 H 1 UNL111 0.1423 18 H -1.3990 -1.2754 0.9023 H 1 UNL111 0.1357 19 H -1.7523 0.4042 1.3154 H 1 UNL111 0.1379 20 H -3.8649 -0.9337 1.0939 H 1 UNL111 0.1439 21 H -3.8230 0.3352 -0.1349 H 1 UNL111 0.1447 22 H -3.4645 -1.3383 -0.5784 H 1 UNL111 0.1450 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 5 6 1 6 6 7 1 7 1 8 1 8 1 9 1 9 1 10 1 10 2 11 1 11 2 12 1 12 4 13 1 13 4 14 1 14 4 15 1 15 5 16 1 16 5 17 1 17 6 18 1 18 6 19 1 19 7 20 1 20 7 21 1 21 7 22 1