@MOLECULE 1,1-dimethylpropyl-ethyl-methyl-sulfonium 28 27 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.8237 -0.8664 -0.5124 C.3 1 UNL111 -0.4309 2 C -2.0559 -0.2281 0.6450 C.3 1 UNL111 -0.2843 3 C -0.8167 0.5830 0.2206 C.3 1 UNL111 0.2527 4 C -1.1645 1.6260 -0.8413 C.3 1 UNL111 -0.4638 5 C -0.2358 1.2823 1.4570 C.3 1 UNL111 -0.5007 6 S 0.4534 -0.5661 -0.5498 S.3 1 UNL111 -0.4254 7 C 0.8555 -1.7692 0.7853 C.3 1 UNL111 -0.3269 8 C 2.0742 0.2555 -0.9003 C.3 1 UNL111 -0.1064 9 C 3.0140 0.4086 0.2832 C.3 1 UNL111 -0.4676 10 H -2.1665 -1.4808 -1.1440 H 1 UNL111 0.1686 11 H -3.6237 -1.5158 -0.1432 H 1 UNL111 0.1331 12 H -3.2776 -0.1113 -1.1624 H 1 UNL111 0.1397 13 H -2.7408 0.4445 1.2021 H 1 UNL111 0.1350 14 H -1.7661 -1.0125 1.3711 H 1 UNL111 0.1365 15 H -2.0015 2.2535 -0.5140 H 1 UNL111 0.1422 16 H -0.3214 2.2891 -1.0651 H 1 UNL111 0.1441 17 H -1.4595 1.1544 -1.7903 H 1 UNL111 0.1671 18 H 0.0384 0.5765 2.2478 H 1 UNL111 0.1468 19 H 0.6539 1.8746 1.2132 H 1 UNL111 0.1522 20 H -0.9674 1.9777 1.8875 H 1 UNL111 0.1509 21 H -0.0425 -2.3638 0.9762 H 1 UNL111 0.1460 22 H 1.6446 -2.4282 0.4145 H 1 UNL111 0.1451 23 H 1.1804 -1.2762 1.7014 H 1 UNL111 0.1270 24 H 2.5278 -0.3649 -1.6954 H 1 UNL111 0.1427 25 H 1.8155 1.2350 -1.3397 H 1 UNL111 0.1336 26 H 3.9113 0.9717 -0.0089 H 1 UNL111 0.1477 27 H 2.5564 0.9495 1.1196 H 1 UNL111 0.1464 28 H 3.3574 -0.5599 0.6681 H 1 UNL111 0.1487 @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 6 8 1 8 8 9 1 9 1 10 1 10 1 11 1 11 1 12 1 12 2 13 1 13 2 14 1 14 4 15 1 15 4 16 1 16 4 17 1 17 5 18 1 18 5 19 1 19 5 20 1 20 7 21 1 21 7 22 1 22 7 23 1 23 8 24 1 24 8 25 1 25 9 26 1 26 9 27 1 27 9 28 1