@MOLECULE S-(1,1-dimethylbutyl) (1R,2S)-2-methylcyclopropanecarbothioate 33 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.8631 -0.5880 0.2544 C.3 1 UNL111 -0.0796 2 H -4.5747 -0.9663 1.0022 H 1 UNL111 0.1517 3 C -4.2932 0.7296 -0.3235 C.3 1 UNL111 -0.4384 4 C -3.1350 -1.5963 -0.5976 C.3 1 UNL111 -0.2993 5 C -2.3884 -0.8965 0.5236 C.3 1 UNL111 -0.3053 6 H -2.1671 -1.4770 1.4322 H 1 UNL111 0.1878 7 C -1.3313 0.0729 0.1620 C.2 1 UNL111 0.4714 8 O -1.5069 1.1605 -0.3093 O.2 1 UNL111 -0.4440 9 S 0.3263 -0.5810 0.5031 S.3 1 UNL111 -0.2055 10 C 1.5230 0.7948 0.0498 C.3 1 UNL111 0.1237 11 C 1.3796 1.1412 -1.4256 C.3 1 UNL111 -0.4744 12 C 1.2170 2.0194 0.9100 C.3 1 UNL111 -0.4787 13 C 2.9266 0.2710 0.3946 C.3 1 UNL111 -0.3010 14 C 3.4075 -0.9179 -0.4476 C.3 1 UNL111 -0.2483 15 C 4.8765 -1.2195 -0.1430 C.3 1 UNL111 -0.4422 16 H -5.3451 0.7063 -0.6339 H 1 UNL111 0.1470 17 H -4.1740 1.5415 0.4087 H 1 UNL111 0.1609 18 H -3.6983 1.0229 -1.2009 H 1 UNL111 0.1677 19 H -3.3558 -2.6565 -0.5042 H 1 UNL111 0.1605 20 H -2.8951 -1.3576 -1.6319 H 1 UNL111 0.1671 21 H 0.4095 1.6134 -1.6465 H 1 UNL111 0.1723 22 H 2.1554 1.8543 -1.7353 H 1 UNL111 0.1542 23 H 1.4688 0.2676 -2.0828 H 1 UNL111 0.1566 24 H 1.2554 1.8060 1.9849 H 1 UNL111 0.1563 25 H 1.9390 2.8235 0.7164 H 1 UNL111 0.1530 26 H 0.2231 2.4404 0.6938 H 1 UNL111 0.1733 27 H 3.6442 1.1101 0.2666 H 1 UNL111 0.1491 28 H 2.9895 0.0092 1.4707 H 1 UNL111 0.1516 29 H 2.7963 -1.8192 -0.2500 H 1 UNL111 0.1470 30 H 3.2868 -0.7020 -1.5258 H 1 UNL111 0.1386 31 H 5.0220 -1.4844 0.9102 H 1 UNL111 0.1432 32 H 5.2398 -2.0590 -0.7461 H 1 UNL111 0.1424 33 H 5.5179 -0.3581 -0.3595 H 1 UNL111 0.1416 @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 10 12 1 13 10 13 1 14 13 14 1 15 14 15 1 16 3 16 1 17 3 17 1 18 3 18 1 19 4 19 1 20 4 20 1 21 11 21 1 22 11 22 1 23 11 23 1 24 12 24 1 25 12 25 1 26 12 26 1 27 13 27 1 28 13 28 1 29 14 29 1 30 14 30 1 31 15 31 1 32 15 32 1 33 15 33 1