@MOLECULE S-(2,2-dimethylpropyl) (1S,2S)-2-methylcyclopropanecarbothioate 30 30 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.4573 -0.0001 -0.3517 C.3 1 UNL11111111 -0.0805 2 H 3.3200 -0.1372 -1.4332 H 1 UNL11111111 0.1614 3 C 4.5029 1.0276 -0.0218 C.3 1 UNL11111111 -0.4404 4 C 3.2581 -1.1965 0.5416 C.3 1 UNL11111111 -0.2994 5 C 2.2154 -0.0922 0.5361 C.3 1 UNL11111111 -0.3024 6 H 2.1552 0.5640 1.4138 H 1 UNL11111111 0.1883 7 C 0.9232 -0.3649 -0.1280 C.2 1 UNL11111111 0.4409 8 O 0.6215 -1.4075 -0.6396 O.2 1 UNL11111111 -0.4375 9 S -0.1975 1.0592 -0.1446 S.3 1 UNL11111111 -0.1126 10 C -1.7128 0.3668 -0.9062 C.3 1 UNL11111111 -0.3296 11 C -2.8069 -0.0465 0.0968 C.3 1 UNL11111111 0.1407 12 C -3.3555 1.1765 0.8450 C.3 1 UNL11111111 -0.4688 13 C -3.9491 -0.6824 -0.7238 C.3 1 UNL11111111 -0.4712 14 C -2.2859 -1.0845 1.0993 C.3 1 UNL11111111 -0.4703 15 H 5.4696 0.7662 -0.4736 H 1 UNL11111111 0.1541 16 H 4.2186 2.0184 -0.4038 H 1 UNL11111111 0.1570 17 H 4.6691 1.1325 1.0575 H 1 UNL11111111 0.1507 18 H 3.0051 -2.1620 0.1016 H 1 UNL11111111 0.1756 19 H 3.8788 -1.3370 1.4215 H 1 UNL11111111 0.1606 20 H -2.0991 1.1390 -1.5979 H 1 UNL11111111 0.1635 21 H -1.4317 -0.5058 -1.5329 H 1 UNL11111111 0.1793 22 H -3.7052 1.9503 0.1546 H 1 UNL11111111 0.1427 23 H -4.2014 0.8987 1.4835 H 1 UNL11111111 0.1458 24 H -2.6019 1.6310 1.4977 H 1 UNL11111111 0.1550 25 H -3.6136 -1.5901 -1.2371 H 1 UNL11111111 0.1498 26 H -4.7872 -0.9652 -0.0781 H 1 UNL11111111 0.1492 27 H -4.3372 0.0072 -1.4789 H 1 UNL11111111 0.1434 28 H -1.6254 -0.6390 1.8504 H 1 UNL11111111 0.1510 29 H -3.1100 -1.5571 1.6445 H 1 UNL11111111 0.1460 30 H -1.7248 -1.8826 0.5971 H 1 UNL11111111 0.1577 @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 10 11 1 12 11 12 1 13 11 13 1 14 11 14 1 15 3 15 1 16 3 16 1 17 3 17 1 18 4 18 1 19 4 19 1 20 10 20 1 21 10 21 1 22 12 22 1 23 12 23 1 24 12 24 1 25 13 25 1 26 13 26 1 27 13 27 1 28 14 28 1 29 14 29 1 30 14 30 1