@MOLECULE S-[(1S)-2,2-dimethylcyclopropyl] 2,2-dimethylbutanethioate 33 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.7744 0.3981 0.0562 C.3 1 UNL11111111 -0.4347 2 C 3.3291 0.8878 0.0285 C.3 1 UNL11111111 -0.2616 3 C 2.2761 -0.2485 0.0392 C.3 1 UNL11111111 0.0246 4 C 2.4173 -1.1237 -1.2079 C.3 1 UNL11111111 -0.4545 5 C 2.3917 -1.0824 1.3180 C.3 1 UNL11111111 -0.4541 6 C 0.9080 0.4319 0.0289 C.2 1 UNL11111111 0.4118 7 O 0.7570 1.6189 0.0771 O.2 1 UNL11111111 -0.4387 8 S -0.5475 -0.6631 -0.0398 S.3 1 UNL11111111 -0.0974 9 C -1.8974 0.5180 -0.0963 C.3 1 UNL11111111 -0.2483 10 H -1.6219 1.4708 0.3812 H 1 UNL11111111 0.1930 11 C -2.8203 0.5625 -1.2903 C.3 1 UNL11111111 -0.3446 12 C -3.3406 0.0417 0.0356 C.3 1 UNL11111111 0.0763 13 C -3.6663 -1.4229 0.1715 C.3 1 UNL11111111 -0.4471 14 C -4.2696 0.9196 0.8393 C.3 1 UNL11111111 -0.4485 15 H 4.9913 -0.1819 0.9598 H 1 UNL11111111 0.1419 16 H 5.0111 -0.2317 -0.8081 H 1 UNL11111111 0.1420 17 H 5.4708 1.2456 0.0400 H 1 UNL11111111 0.1433 18 H 3.1487 1.5568 0.8951 H 1 UNL11111111 0.1520 19 H 3.1679 1.5235 -0.8661 H 1 UNL11111111 0.1501 20 H 3.4284 -1.5447 -1.2764 H 1 UNL11111111 0.1552 21 H 1.7281 -1.9768 -1.2084 H 1 UNL11111111 0.1592 22 H 2.2415 -0.5523 -2.1273 H 1 UNL11111111 0.1538 23 H 2.2146 -0.4775 2.2157 H 1 UNL11111111 0.1540 24 H 1.6884 -1.9236 1.3385 H 1 UNL11111111 0.1590 25 H 3.3951 -1.5159 1.4117 H 1 UNL11111111 0.1551 26 H -3.1509 1.5274 -1.6669 H 1 UNL11111111 0.1634 27 H -2.6837 -0.1211 -2.1243 H 1 UNL11111111 0.1668 28 H -3.1091 -2.0557 -0.5309 H 1 UNL11111111 0.1563 29 H -3.4482 -1.7870 1.1850 H 1 UNL11111111 0.1574 30 H -4.7320 -1.6080 -0.0207 H 1 UNL11111111 0.1519 31 H -5.3133 0.7795 0.5285 H 1 UNL11111111 0.1545 32 H -4.2068 0.6833 1.9101 H 1 UNL11111111 0.1553 33 H -4.0409 1.9871 0.7285 H 1 UNL11111111 0.1525 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 9 10 1 10 9 11 1 11 11 12 1 12 9 12 1 13 12 13 1 14 12 14 1 15 1 15 1 16 1 16 1 17 1 17 1 18 2 18 1 19 2 19 1 20 4 20 1 21 4 21 1 22 4 22 1 23 5 23 1 24 5 24 1 25 5 25 1 26 11 26 1 27 11 27 1 28 13 28 1 29 13 29 1 30 13 30 1 31 14 31 1 32 14 32 1 33 14 33 1