@MOLECULE methyl-[(1S,2R)-2-methylcyclopropanecarbonyl]-propyl-sulfonium 28 28 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.0971 0.3483 0.4930 C.3 1 UNL111 -0.0765 2 H 3.7884 0.0330 1.2871 H 1 UNL111 0.1526 3 C 2.8272 1.8255 0.5239 C.3 1 UNL111 -0.4481 4 C 3.1445 -0.3874 -0.8209 C.3 1 UNL111 -0.3099 5 C 1.9937 -0.6530 0.1341 C.3 1 UNL111 -0.2970 6 H 1.9864 -1.6024 0.6901 H 1 UNL111 0.1936 7 C 0.6524 -0.1578 -0.2403 C.2 1 UNL111 0.6303 8 O 0.4331 0.7325 -1.0132 O.2 1 UNL111 -0.4929 9 S -0.7029 -1.0230 0.5962 S.3 1 UNL111 -0.4751 10 C -1.4542 -2.2963 -0.4823 C.3 1 UNL111 -0.2947 11 C -2.0758 0.2038 0.8309 C.3 1 UNL111 -0.1257 12 C -2.6179 0.7960 -0.4638 C.3 1 UNL111 -0.2833 13 C -3.8031 1.7141 -0.1552 C.3 1 UNL111 -0.4373 14 H 2.1682 2.1523 -0.2970 H 1 UNL111 0.1737 15 H 2.3399 2.1240 1.4620 H 1 UNL111 0.1546 16 H 3.7582 2.3993 0.4327 H 1 UNL111 0.1507 17 H 2.9468 0.1552 -1.7457 H 1 UNL111 0.1743 18 H 3.8826 -1.1648 -0.9915 H 1 UNL111 0.1570 19 H -0.7743 -3.1547 -0.5047 H 1 UNL111 0.1506 20 H -2.4095 -2.6042 -0.0455 H 1 UNL111 0.1458 21 H -1.6115 -1.9222 -1.4966 H 1 UNL111 0.1363 22 H -2.8571 -0.3357 1.3941 H 1 UNL111 0.1401 23 H -1.6580 0.9868 1.4884 H 1 UNL111 0.1452 24 H -1.8271 1.3693 -0.9964 H 1 UNL111 0.1670 25 H -2.9340 0.0060 -1.1708 H 1 UNL111 0.1377 26 H -3.5140 2.5310 0.5157 H 1 UNL111 0.1449 27 H -4.1958 2.1687 -1.0720 H 1 UNL111 0.1456 28 H -4.6253 1.1674 0.3189 H 1 UNL111 0.1402 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 1 5 1 7 5 7 1 8 7 8 2 9 7 9 1 10 9 10 1 11 9 11 1 12 11 12 1 13 12 13 1 14 3 14 1 15 3 15 1 16 3 16 1 17 4 17 1 18 4 18 1 19 10 19 1 20 10 20 1 21 10 21 1 22 11 22 1 23 11 23 1 24 12 24 1 25 12 25 1 26 13 26 1 27 13 27 1 28 13 28 1