@MOLECULE S-isohexyl (1R,2R)-2-methylcyclopropanecarbothioate 33 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.5058 -0.4017 0.2519 C.3 1 UNL11111111 -0.0817 2 H 4.3382 -1.4202 0.6361 H 1 UNL11111111 0.1728 3 C 5.6768 0.2835 0.8964 C.3 1 UNL11111111 -0.4410 4 C 4.1675 -0.1290 -1.1904 C.3 1 UNL11111111 -0.2976 5 C 3.2634 0.4188 -0.0989 C.3 1 UNL11111111 -0.3045 6 H 3.2845 1.4976 0.1003 H 1 UNL11111111 0.1878 7 C 1.9468 -0.2283 0.0783 C.2 1 UNL11111111 0.4400 8 O 1.7827 -1.3590 0.4464 O.2 1 UNL11111111 -0.4393 9 S 0.5337 0.8260 -0.3351 S.3 1 UNL11111111 -0.1130 10 C -0.8612 -0.3277 -0.0027 C.3 1 UNL11111111 -0.2925 11 C -2.1877 0.3788 -0.2544 C.3 1 UNL11111111 -0.2682 12 C -3.3443 -0.5787 0.0750 C.3 1 UNL11111111 -0.2871 13 C -4.7147 0.0586 -0.2228 C.3 1 UNL11111111 -0.0588 14 C -5.8047 -1.0205 -0.1677 C.3 1 UNL11111111 -0.4555 15 C -5.0390 1.1712 0.7802 C.3 1 UNL11111111 -0.4538 16 H 5.8150 1.3125 0.5425 H 1 UNL11111111 0.1496 17 H 5.5576 0.3282 1.9881 H 1 UNL11111111 0.1561 18 H 6.6109 -0.2586 0.6918 H 1 UNL11111111 0.1550 19 H 4.7664 0.5651 -1.7745 H 1 UNL11111111 0.1632 20 H 3.8141 -0.9407 -1.8236 H 1 UNL11111111 0.1662 21 H -0.7538 -1.2215 -0.6464 H 1 UNL11111111 0.1656 22 H -0.7914 -0.6897 1.0414 H 1 UNL11111111 0.1678 23 H -2.2775 1.2944 0.3644 H 1 UNL11111111 0.1497 24 H -2.2708 0.7139 -1.3076 H 1 UNL11111111 0.1472 25 H -3.2352 -1.5107 -0.5122 H 1 UNL11111111 0.1404 26 H -3.2954 -0.8849 1.1363 H 1 UNL11111111 0.1425 27 H -4.6946 0.4940 -1.2508 H 1 UNL11111111 0.1293 28 H -5.8490 -1.4952 0.8184 H 1 UNL11111111 0.1454 29 H -6.7931 -0.5952 -0.3717 H 1 UNL11111111 0.1427 30 H -5.6271 -1.8071 -0.9083 H 1 UNL11111111 0.1421 31 H -5.0565 0.7918 1.8075 H 1 UNL11111111 0.1456 32 H -4.3007 1.9786 0.7396 H 1 UNL11111111 0.1419 33 H -6.0199 1.6139 0.5761 H 1 UNL11111111 0.1423 @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 13 15 1 16 3 16 1 17 3 17 1 18 3 18 1 19 4 19 1 20 4 20 1 21 10 21 1 22 10 22 1 23 11 23 1 24 11 24 1 25 12 25 1 26 12 26 1 27 13 27 1 28 14 28 1 29 14 29 1 30 14 30 1 31 15 31 1 32 15 32 1 33 15 33 1