@MOLECULE S-[(1R,2R)-2-methylcyclobutyl] cyclobutanecarbothioate 28 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.0077 -1.1746 0.4539 C.3 1 UNL1111111 -0.2529 2 C 4.2243 -0.6423 -0.3474 C.3 1 UNL1111111 -0.2754 3 C 3.6245 0.7865 -0.3133 C.3 1 UNL1111111 -0.2584 4 C 2.4169 0.2652 0.5198 C.3 1 UNL1111111 -0.2199 5 C 1.0963 0.4163 -0.1562 C.2 1 UNL1111111 0.4326 6 O 0.9078 0.9643 -1.2037 O.2 1 UNL1111111 -0.4243 7 S -0.2803 -0.3176 0.7820 S.3 1 UNL1111111 -0.1510 8 C -1.7297 0.1659 -0.2104 C.3 1 UNL1111111 -0.1593 9 H -1.4519 0.2094 -1.2793 H 1 UNL1111111 0.1742 10 C -2.9942 -0.7008 0.0782 C.3 1 UNL1111111 -0.0816 11 H -2.8720 -1.4310 0.8977 H 1 UNL1111111 0.1453 12 C -3.5675 -1.3766 -1.1511 C.3 1 UNL1111111 -0.4542 13 C -3.7518 0.5843 0.5319 C.3 1 UNL1111111 -0.2942 14 C -2.4777 1.4301 0.2815 C.3 1 UNL1111111 -0.2767 15 H 2.3962 -1.9032 -0.0870 H 1 UNL1111111 0.1513 16 H 3.2510 -1.6008 1.4308 H 1 UNL1111111 0.1458 17 H 5.1845 -0.7446 0.1630 H 1 UNL1111111 0.1393 18 H 4.3265 -1.0655 -1.3503 H 1 UNL1111111 0.1440 19 H 4.2367 1.5310 0.1996 H 1 UNL1111111 0.1414 20 H 3.3521 1.1893 -1.2962 H 1 UNL1111111 0.1627 21 H 2.3956 0.6818 1.5455 H 1 UNL1111111 0.1722 22 H -2.9111 -2.1810 -1.5064 H 1 UNL1111111 0.1520 23 H -4.5484 -1.8196 -0.9384 H 1 UNL1111111 0.1497 24 H -3.7025 -0.6734 -1.9821 H 1 UNL1111111 0.1514 25 H -4.6057 0.8526 -0.0937 H 1 UNL1111111 0.1447 26 H -4.0865 0.5644 1.5711 H 1 UNL1111111 0.1414 27 H -2.0724 1.9116 1.1761 H 1 UNL1111111 0.1526 28 H -2.5869 2.2045 -0.4847 H 1 UNL1111111 0.1476 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 1 4 1 5 4 5 1 6 5 6 2 7 5 7 1 8 7 8 1 9 8 9 1 10 8 10 1 11 10 11 1 12 10 12 1 13 10 13 1 14 13 14 1 15 8 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 4 21 1 23 12 22 1 24 12 23 1 25 12 24 1 26 13 25 1 27 13 26 1 28 14 27 1 29 14 28 1