@MOLECULE methyl-(1-methylcyclobutanecarbonyl)-propyl-sulfonium 31 31 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.5920 0.5652 0.8306 C.3 1 UNL111 -0.2674 2 C -3.5572 -0.6475 0.8079 C.3 1 UNL111 -0.2780 3 C -2.7826 -1.2477 -0.3911 C.3 1 UNL111 -0.2781 4 C -1.8039 -0.0276 -0.3771 C.3 1 UNL111 -0.0339 5 C -1.8383 0.8063 -1.6425 C.3 1 UNL111 -0.4482 6 C -0.3913 -0.4395 -0.0562 C.2 1 UNL111 0.5866 7 O 0.0160 -1.5622 -0.1608 O.2 1 UNL111 -0.4817 8 S 0.7043 0.8311 0.5737 S.3 1 UNL111 -0.4777 9 C 1.1593 2.3692 -0.2905 C.3 1 UNL111 -0.2797 10 C 2.3140 -0.0766 0.8177 C.3 1 UNL111 -0.1239 11 C 2.9959 -0.4501 -0.4930 C.3 1 UNL111 -0.2757 12 C 4.2843 -1.2236 -0.2003 C.3 1 UNL111 -0.4373 13 H -3.0608 1.5302 0.6251 H 1 UNL111 0.1430 14 H -2.0134 0.6673 1.7551 H 1 UNL111 0.1606 15 H -3.5321 -1.2603 1.7131 H 1 UNL111 0.1423 16 H -4.5982 -0.3958 0.5962 H 1 UNL111 0.1357 17 H -2.3030 -2.2122 -0.1903 H 1 UNL111 0.1621 18 H -3.3621 -1.3479 -1.3102 H 1 UNL111 0.1421 19 H -2.8716 0.9990 -1.9611 H 1 UNL111 0.1562 20 H -1.3632 1.7854 -1.5023 H 1 UNL111 0.1554 21 H -1.3315 0.3008 -2.4748 H 1 UNL111 0.1528 22 H 0.4183 3.1286 -0.0172 H 1 UNL111 0.1497 23 H 2.1488 2.6911 0.0462 H 1 UNL111 0.1418 24 H 1.1647 2.2251 -1.3730 H 1 UNL111 0.1320 25 H 2.9439 0.5789 1.4410 H 1 UNL111 0.1378 26 H 2.0558 -0.9782 1.4050 H 1 UNL111 0.1571 27 H 2.3237 -1.0776 -1.1165 H 1 UNL111 0.1585 28 H 3.2245 0.4467 -1.0982 H 1 UNL111 0.1337 29 H 4.7982 -1.4983 -1.1286 H 1 UNL111 0.1444 30 H 4.9824 -0.6343 0.4039 H 1 UNL111 0.1405 31 H 4.0750 -2.1534 0.3430 H 1 UNL111 0.1492 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 1 4 1 5 4 5 1 6 4 6 1 7 6 7 2 8 6 8 1 9 8 9 1 10 8 10 1 11 10 11 1 12 11 12 1 13 1 13 1 14 1 14 1 15 2 15 1 16 2 16 1 17 3 17 1 18 3 18 1 19 5 19 1 20 5 20 1 21 5 21 1 22 9 22 1 23 9 23 1 24 9 24 1 25 10 25 1 26 10 26 1 27 11 27 1 28 11 28 1 29 12 29 1 30 12 30 1 31 12 31 1