@MOLECULE S-[(1S,2R)-2-methylcyclobutyl] ethanethioate 21 21 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.3537 -0.4854 -0.3837 C.3 1 UNL11111111 -0.5318 2 C 2.1183 0.1268 0.1778 C.2 1 UNL11111111 0.4620 3 O 2.1015 0.9664 1.0321 O.2 1 UNL11111111 -0.4366 4 S 0.5820 -0.5160 -0.5511 S.3 1 UNL11111111 -0.1339 5 C -0.6981 0.5009 0.2476 C.3 1 UNL11111111 -0.1741 6 H -0.2406 1.0796 1.0746 H 1 UNL11111111 0.1765 7 C -2.0066 -0.2288 0.6950 C.3 1 UNL11111111 -0.0785 8 H -2.2279 -0.0156 1.7590 H 1 UNL11111111 0.1397 9 C -2.1410 -1.7124 0.4303 C.3 1 UNL11111111 -0.4519 10 C -2.8233 0.6785 -0.2752 C.3 1 UNL11111111 -0.2937 11 C -1.5194 1.3814 -0.7275 C.3 1 UNL11111111 -0.2775 12 H 3.4373 -1.5549 -0.1330 H 1 UNL11111111 0.1865 13 H 3.4069 -0.4049 -1.4806 H 1 UNL11111111 0.1857 14 H 4.2538 0.0097 0.0191 H 1 UNL11111111 0.1848 15 H -1.4157 -2.2971 1.0113 H 1 UNL11111111 0.1555 16 H -3.1420 -2.0671 0.7103 H 1 UNL11111111 0.1474 17 H -1.9999 -1.9689 -0.6270 H 1 UNL11111111 0.1542 18 H -3.3431 0.1371 -1.0688 H 1 UNL11111111 0.1453 19 H -3.5469 1.3304 0.2180 H 1 UNL11111111 0.1413 20 H -1.4741 2.4519 -0.5031 H 1 UNL11111111 0.1467 21 H -1.2910 1.2618 -1.7910 H 1 UNL11111111 0.1526 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 4 5 1 5 5 6 1 6 5 7 1 7 7 8 1 8 7 9 1 9 7 10 1 10 10 11 1 11 5 11 1 12 1 12 1 13 1 13 1 14 1 14 1 15 9 15 1 16 9 16 1 17 9 17 1 18 10 18 1 19 10 19 1 20 11 20 1 21 11 21 1