@MOLECULE S-[(1S,2S)-2-methylcyclopropyl] 1-methylcyclobutanecarbothioate 28 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.5649 0.7300 -1.0893 C.3 1 UNL111 -0.2738 2 C -3.6842 1.1651 -0.1092 C.3 1 UNL111 -0.2770 3 C -3.1736 0.1429 0.9353 C.3 1 UNL111 -0.2730 4 C -2.0545 -0.3191 -0.0540 C.3 1 UNL111 -0.0276 5 C -2.1791 -1.7646 -0.4930 C.3 1 UNL111 -0.4496 6 C -0.6743 -0.0554 0.4796 C.2 1 UNL111 0.4184 7 O -0.4154 0.1287 1.6334 O.2 1 UNL111 -0.4212 8 S 0.6478 -0.0385 -0.7766 S.3 1 UNL111 -0.1048 9 C 2.1189 0.1267 0.2434 C.3 1 UNL111 -0.2248 10 H 1.9748 0.8422 1.0641 H 1 UNL111 0.1891 11 C 3.0082 -1.0711 0.4812 C.3 1 UNL111 -0.3257 12 C 3.4744 0.0389 -0.4344 C.3 1 UNL111 -0.1078 13 H 3.5193 -0.1667 -1.5123 H 1 UNL111 0.1601 14 C 4.5662 0.9719 0.0148 C.3 1 UNL111 -0.4382 15 H -2.9215 0.2922 -2.0252 H 1 UNL111 0.1482 16 H -1.8582 1.5253 -1.3416 H 1 UNL111 0.1527 17 H -3.6246 2.2085 0.2109 H 1 UNL111 0.1430 18 H -4.6989 0.9800 -0.4680 H 1 UNL111 0.1384 19 H -2.7997 0.5858 1.8651 H 1 UNL111 0.1614 20 H -3.8869 -0.6391 1.2028 H 1 UNL111 0.1446 21 H -3.2153 -2.0068 -0.7656 H 1 UNL111 0.1574 22 H -1.5607 -1.9900 -1.3720 H 1 UNL111 0.1622 23 H -1.8854 -2.4585 0.3062 H 1 UNL111 0.1577 24 H 3.4655 -1.2013 1.4598 H 1 UNL111 0.1645 25 H 2.7543 -2.0445 0.0687 H 1 UNL111 0.1656 26 H 5.5581 0.5530 -0.2043 H 1 UNL111 0.1536 27 H 4.4950 1.9400 -0.5000 H 1 UNL111 0.1539 28 H 4.5315 1.1745 1.0929 H 1 UNL111 0.1526 @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 9 10 1 11 9 11 1 12 11 12 1 13 12 13 1 14 9 12 1 15 12 14 1 16 1 15 1 17 1 16 1 18 2 17 1 19 2 18 1 20 3 19 1 21 3 20 1 22 5 21 1 23 5 22 1 24 5 23 1 25 11 24 1 26 11 25 1 27 14 26 1 28 14 27 1 29 14 28 1