@MOLECULE methyl-(2-methylpropanoyl)-propyl-sulfonium 27 26 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.2873 0.0680 -0.2005 C.3 1 UNL1111 -0.1591 2 C -2.7439 -0.7454 -1.4141 C.3 1 UNL1111 -0.4439 3 C -3.1676 -0.2076 1.0214 C.3 1 UNL1111 -0.4375 4 C -0.8763 -0.3587 0.1469 C.2 1 UNL1111 0.6011 5 O -0.5295 -1.4964 0.2845 O.2 1 UNL1111 -0.4797 6 S 0.2837 0.9735 0.4366 S.3 1 UNL1111 -0.4991 7 C 0.6545 2.2952 -0.7605 C.3 1 UNL1111 -0.2748 8 C 1.9103 0.1176 0.7345 C.3 1 UNL1111 -0.1220 9 C 2.4690 -0.5560 -0.5134 C.3 1 UNL1111 -0.2773 10 C 3.8074 -1.2229 -0.1858 C.3 1 UNL1111 -0.4365 11 H -2.3386 1.1568 -0.4479 H 1 UNL1111 0.1608 12 H -3.7876 -0.5274 -1.6662 H 1 UNL1111 0.1496 13 H -2.1357 -0.5288 -2.2994 H 1 UNL1111 0.1451 14 H -2.6697 -1.8254 -1.2216 H 1 UNL1111 0.1648 15 H -2.8451 0.3839 1.8885 H 1 UNL1111 0.1565 16 H -4.2141 0.0458 0.8198 H 1 UNL1111 0.1485 17 H -3.1317 -1.2660 1.3127 H 1 UNL1111 0.1595 18 H -0.2446 2.9115 -0.8651 H 1 UNL1111 0.1464 19 H 1.4682 2.9077 -0.3597 H 1 UNL1111 0.1450 20 H 0.9382 1.8842 -1.7319 H 1 UNL1111 0.1312 21 H 2.5936 0.8858 1.1322 H 1 UNL1111 0.1385 22 H 1.7095 -0.6219 1.5329 H 1 UNL1111 0.1564 23 H 1.7576 -1.3207 -0.8922 H 1 UNL1111 0.1574 24 H 2.6053 0.1693 -1.3372 H 1 UNL1111 0.1344 25 H 4.5450 -0.4965 0.1716 H 1 UNL1111 0.1410 26 H 3.6909 -1.9901 0.5894 H 1 UNL1111 0.1490 27 H 4.2294 -1.7146 -1.0697 H 1 UNL1111 0.1447 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 2 5 4 6 1 6 6 7 1 7 6 8 1 8 8 9 1 9 9 10 1 10 1 11 1 11 2 12 1 12 2 13 1 13 2 14 1 14 3 15 1 15 3 16 1 16 3 17 1 17 7 18 1 18 7 19 1 19 7 20 1 20 8 21 1 21 8 22 1 22 9 23 1 23 9 24 1 24 10 25 1 25 10 26 1 26 10 27 1