@MOLECULE S-pentyl (1S)-2,2-dimethylcyclopropanecarbothioate 33 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.6868 0.0375 -0.0903 C.3 1 UNL111111111 0.1066 2 C -4.7141 -1.0122 0.2478 C.3 1 UNL111111111 -0.4506 3 C -3.5032 0.2321 -1.5723 C.3 1 UNL111111111 -0.4587 4 C -3.5184 1.2228 0.8289 C.3 1 UNL111111111 -0.3161 5 C -2.4614 0.1339 0.8359 C.3 1 UNL111111111 -0.3255 6 H -2.4247 -0.5379 1.7041 H 1 UNL111111111 0.1888 7 C -1.1450 0.4250 0.2372 C.2 1 UNL111111111 0.4525 8 O -0.7789 1.4971 -0.1566 O.2 1 UNL111111111 -0.4372 9 S -0.0900 -1.0468 0.1008 S.3 1 UNL111111111 -0.1274 10 C 1.4411 -0.3897 -0.6703 C.3 1 UNL111111111 -0.2968 11 C 2.6128 -0.4313 0.3047 C.3 1 UNL111111111 -0.2679 12 C 3.8879 0.0633 -0.3961 C.3 1 UNL111111111 -0.2732 13 C 5.0861 0.0112 0.5609 C.3 1 UNL111111111 -0.2489 14 C 6.3611 0.4794 -0.1410 C.3 1 UNL111111111 -0.4384 15 H -4.4193 -1.9948 -0.1462 H 1 UNL111111111 0.1585 16 H -4.8625 -1.1272 1.3284 H 1 UNL111111111 0.1510 17 H -5.6913 -0.7629 -0.1873 H 1 UNL111111111 0.1554 18 H -4.4471 0.5219 -2.0530 H 1 UNL111111111 0.1569 19 H -2.7726 1.0199 -1.8068 H 1 UNL111111111 0.1645 20 H -3.1548 -0.6897 -2.0578 H 1 UNL111111111 0.1594 21 H -3.2656 2.1983 0.4124 H 1 UNL111111111 0.1767 22 H -4.1624 1.3447 1.6945 H 1 UNL111111111 0.1609 23 H 1.6478 -1.0013 -1.5686 H 1 UNL111111111 0.1607 24 H 1.2662 0.6474 -1.0266 H 1 UNL111111111 0.1789 25 H 2.4104 0.1987 1.1942 H 1 UNL111111111 0.1507 26 H 2.7752 -1.4565 0.6926 H 1 UNL111111111 0.1458 27 H 4.0947 -0.5519 -1.2913 H 1 UNL111111111 0.1366 28 H 3.7439 1.0970 -0.7636 H 1 UNL111111111 0.1417 29 H 4.8903 0.6411 1.4495 H 1 UNL111111111 0.1362 30 H 5.2218 -1.0184 0.9428 H 1 UNL111111111 0.1335 31 H 6.2717 1.5166 -0.4836 H 1 UNL111111111 0.1437 32 H 7.2255 0.4278 0.5302 H 1 UNL111111111 0.1398 33 H 6.5878 -0.1390 -1.0166 H 1 UNL111111111 0.1419 @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 12 13 1 14 13 14 1 15 2 15 1 16 2 16 1 17 2 17 1 18 3 18 1 19 3 19 1 20 3 20 1 21 4 21 1 22 4 22 1 23 10 23 1 24 10 24 1 25 11 25 1 26 11 26 1 27 12 27 1 28 12 28 1 29 13 29 1 30 13 30 1 31 14 31 1 32 14 32 1 33 14 33 1