@MOLECULE 2,2-dimethylpropanoyl-methyl-propyl-sulfonium 30 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.8280 -1.4854 0.6150 C.3 1 UNL111 -0.4531 2 C 2.1552 -0.2206 0.0577 C.3 1 UNL111 0.0340 3 C 2.4518 0.9593 0.9867 C.3 1 UNL111 -0.4515 4 C 2.6708 0.0582 -1.3586 C.3 1 UNL111 -0.4498 5 C 0.6561 -0.4975 -0.0248 C.2 1 UNL111 0.5837 6 O 0.1800 -1.5867 0.1258 O.2 1 UNL111 -0.4868 7 S -0.4319 0.8635 -0.4755 S.3 1 UNL111 -0.4848 8 C -0.8253 2.2510 0.6413 C.3 1 UNL111 -0.2812 9 C -2.0734 0.0306 -0.7668 C.3 1 UNL111 -0.1241 10 C -2.7676 -0.4152 0.5142 C.3 1 UNL111 -0.2774 11 C -4.1258 -1.0355 0.1759 C.3 1 UNL111 -0.4371 12 H 2.4813 -1.7103 1.6304 H 1 UNL111 0.1526 13 H 2.5967 -2.3653 -0.0001 H 1 UNL111 0.1618 14 H 3.9161 -1.3764 0.6468 H 1 UNL111 0.1461 15 H 3.5310 1.0545 1.1607 H 1 UNL111 0.1509 16 H 2.1162 1.9131 0.5611 H 1 UNL111 0.1585 17 H 1.9726 0.8391 1.9645 H 1 UNL111 0.1463 18 H 2.4475 -0.7712 -2.0408 H 1 UNL111 0.1525 19 H 2.2176 0.9625 -1.7885 H 1 UNL111 0.1676 20 H 3.7562 0.2059 -1.3593 H 1 UNL111 0.1486 21 H -0.0115 2.9794 0.5629 H 1 UNL111 0.1474 22 H -1.7592 2.7164 0.3129 H 1 UNL111 0.1430 23 H -0.9204 1.9106 1.6747 H 1 UNL111 0.1326 24 H -2.6791 0.7566 -1.3343 H 1 UNL111 0.1386 25 H -1.8545 -0.8324 -1.4228 H 1 UNL111 0.1538 26 H -2.1430 -1.1597 1.0532 H 1 UNL111 0.1602 27 H -2.9074 0.4295 1.2142 H 1 UNL111 0.1344 28 H -4.6608 -1.3325 1.0852 H 1 UNL111 0.1446 29 H -4.7666 -0.3350 -0.3698 H 1 UNL111 0.1407 30 H -4.0101 -1.9344 -0.4417 H 1 UNL111 0.1483 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 2 6 5 7 1 7 7 8 1 8 7 9 1 9 9 10 1 10 10 11 1 11 1 12 1 12 1 13 1 13 1 14 1 14 3 15 1 15 3 16 1 16 3 17 1 17 4 18 1 18 4 19 1 19 4 20 1 20 8 21 1 21 8 22 1 22 8 23 1 23 9 24 1 24 9 25 1 25 10 26 1 26 10 27 1 27 11 28 1 28 11 29 1 29 11 30 1