@MOLECULE methyl-[(1R,2R)-2-methylcyclopropanecarbonyl]-propyl-sulfonium 28 28 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.8073 -0.5883 0.5839 C.3 1 UNL111 -0.0905 2 H 2.3812 -1.4647 1.0941 H 1 UNL111 0.1664 3 C 3.7801 0.1742 1.4381 C.3 1 UNL111 -0.4398 4 C 3.0091 -0.6788 -0.9060 C.3 1 UNL111 -0.2955 5 C 1.8873 0.1884 -0.3595 C.3 1 UNL111 -0.3040 6 H 2.0033 1.2765 -0.4244 H 1 UNL111 0.1857 7 C 0.5007 -0.3134 -0.5004 C.2 1 UNL111 0.6118 8 O 0.2043 -1.4760 -0.5506 O.2 1 UNL111 -0.4881 9 S -0.7534 0.9451 -0.6462 S.3 1 UNL111 -0.4635 10 C -0.9611 2.3445 0.4993 C.3 1 UNL111 -0.2785 11 C -2.3578 0.0022 -0.5727 C.3 1 UNL111 -0.1257 12 C -2.6735 -0.5337 0.8186 C.3 1 UNL111 -0.2747 13 C -4.0101 -1.2795 0.7953 C.3 1 UNL111 -0.4378 14 H 4.2114 1.0397 0.9197 H 1 UNL111 0.1495 15 H 3.2981 0.5491 2.3514 H 1 UNL111 0.1522 16 H 4.6171 -0.4666 1.7486 H 1 UNL111 0.1536 17 H 3.8634 -0.2016 -1.3767 H 1 UNL111 0.1592 18 H 2.7570 -1.6034 -1.4257 H 1 UNL111 0.1733 19 H -0.0663 2.9718 0.4263 H 1 UNL111 0.1464 20 H -1.8352 2.9227 0.1830 H 1 UNL111 0.1459 21 H -1.0888 2.0024 1.5288 H 1 UNL111 0.1318 22 H -3.1353 0.6931 -0.9376 H 1 UNL111 0.1393 23 H -2.2483 -0.8217 -1.3037 H 1 UNL111 0.1591 24 H -1.8728 -1.2231 1.1599 H 1 UNL111 0.1547 25 H -2.7142 0.2812 1.5657 H 1 UNL111 0.1346 26 H -3.9797 -2.1310 0.1047 H 1 UNL111 0.1494 27 H -4.2588 -1.6740 1.7871 H 1 UNL111 0.1443 28 H -4.8328 -0.6273 0.4838 H 1 UNL111 0.1412 @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