@MOLECULE 2,2-dimethylpropyl(dimethyl)sulfonium 25 24 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.5940 1.5149 0.0051 C.3 1 UNL111 -0.4631 2 C -1.4097 -0.0089 0.0419 C.3 1 UNL111 0.1059 3 C -1.1610 -0.4679 1.4851 C.3 1 UNL111 -0.4654 4 C -2.7188 -0.6667 -0.4549 C.3 1 UNL111 -0.4695 5 C -0.3029 -0.4674 -0.9229 C.3 1 UNL111 -0.1816 6 S 1.4497 0.0008 -0.5913 S.3 1 UNL111 -0.2721 7 C 1.8255 1.4458 0.4705 C.3 1 UNL111 -0.3286 8 C 2.0027 -1.3662 0.5278 C.3 1 UNL111 -0.3617 9 H -0.7398 2.0415 0.4404 H 1 UNL111 0.1476 10 H -1.7107 1.8788 -1.0214 H 1 UNL111 0.1473 11 H -2.4827 1.8197 0.5679 H 1 UNL111 0.1436 12 H -2.0429 -0.2882 2.1114 H 1 UNL111 0.1467 13 H -0.9394 -1.5390 1.5318 H 1 UNL111 0.1434 14 H -0.3302 0.0715 1.9496 H 1 UNL111 0.1438 15 H -2.9514 -0.3655 -1.4810 H 1 UNL111 0.1456 16 H -2.6527 -1.7586 -0.4317 H 1 UNL111 0.1435 17 H -3.5686 -0.3773 0.1716 H 1 UNL111 0.1474 18 H -0.3052 -1.5674 -1.0143 H 1 UNL111 0.1341 19 H -0.4856 -0.0469 -1.9310 H 1 UNL111 0.1511 20 H 1.5143 2.3439 -0.0719 H 1 UNL111 0.1482 21 H 1.3168 1.3979 1.4334 H 1 UNL111 0.1262 22 H 2.9081 1.4799 0.6212 H 1 UNL111 0.1443 23 H 3.0759 -1.2470 0.6968 H 1 UNL111 0.1469 24 H 1.4748 -1.3542 1.4808 H 1 UNL111 0.1314 25 H 1.8283 -2.3174 0.0191 H 1 UNL111 0.1451 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 6 7 1 7 6 8 1 8 1 9 1 9 1 10 1 10 1 11 1 11 3 12 1 12 3 13 1 13 3 14 1 14 4 15 1 15 4 16 1 16 4 17 1 17 5 18 1 18 5 19 1 19 7 20 1 20 7 21 1 21 7 22 1 22 8 23 1 23 8 24 1 24 8 25 1