@MOLECULE S-[(1R)-1-methylbutyl] (1R,2R)-2-methylcyclobutanecarbothioate 33 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.3974 0.1537 -0.4903 C.3 1 UNL11 -0.0637 2 H -3.2700 -0.6543 -1.2357 H 1 UNL11 0.1563 3 C -4.1609 1.3177 -1.0838 C.3 1 UNL11 -0.4557 4 C -3.9336 -0.3657 0.8754 C.3 1 UNL11 -0.2965 5 C -2.5739 -0.0374 1.5409 C.3 1 UNL11 -0.2544 6 C -2.0463 0.5464 0.1997 C.3 1 UNL11 -0.2456 7 H -1.8923 1.6427 0.2343 H 1 UNL11 0.1766 8 C -0.8482 -0.1418 -0.3575 C.2 1 UNL11 0.4382 9 O -0.8283 -0.8005 -1.3579 O.2 1 UNL11 -0.4341 10 S 0.6557 0.1209 0.6280 S.3 1 UNL11 -0.1798 11 C 1.9525 -0.7925 -0.3457 C.3 1 UNL11 -0.0801 12 H 1.8132 -0.5203 -1.4201 H 1 UNL11 0.1626 13 C 1.7779 -2.2943 -0.1730 C.3 1 UNL11 -0.4599 14 C 3.3269 -0.3368 0.1460 C.3 1 UNL11 -0.2892 15 C 3.6692 1.0974 -0.2805 C.3 1 UNL11 -0.2507 16 C 5.1156 1.4340 0.0846 C.3 1 UNL11 -0.4408 17 H -4.2959 2.1348 -0.3656 H 1 UNL11 0.1469 18 H -3.6412 1.7292 -1.9588 H 1 UNL11 0.1523 19 H -5.1602 1.0070 -1.4144 H 1 UNL11 0.1501 20 H -4.7806 0.1965 1.2738 H 1 UNL11 0.1431 21 H -4.2012 -1.4244 0.8816 H 1 UNL11 0.1427 22 H -2.6246 0.6917 2.3541 H 1 UNL11 0.1465 23 H -2.0322 -0.9131 1.9110 H 1 UNL11 0.1507 24 H 1.8660 -2.6146 0.8725 H 1 UNL11 0.1548 25 H 0.8019 -2.6404 -0.5453 H 1 UNL11 0.1663 26 H 2.5375 -2.8458 -0.7440 H 1 UNL11 0.1517 27 H 3.4176 -0.4380 1.2454 H 1 UNL11 0.1505 28 H 4.0951 -1.0276 -0.2635 H 1 UNL11 0.1494 29 H 3.5160 1.2190 -1.3694 H 1 UNL11 0.1369 30 H 2.9875 1.8242 0.2019 H 1 UNL11 0.1472 31 H 5.2863 1.3470 1.1635 H 1 UNL11 0.1431 32 H 5.8249 0.7676 -0.4184 H 1 UNL11 0.1422 33 H 5.3686 2.4600 -0.2055 H 1 UNL11 0.1424 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 1 6 1 8 6 8 1 9 8 9 2 10 8 10 1 11 10 11 1 12 11 12 1 13 11 13 1 14 11 14 1 15 14 15 1 16 15 16 1 17 3 17 1 18 3 18 1 19 3 19 1 20 4 20 1 21 4 21 1 22 5 22 1 23 5 23 1 24 13 24 1 25 13 25 1 26 13 26 1 27 14 27 1 28 14 28 1 29 15 29 1 30 15 30 1 31 16 31 1 32 16 32 1 33 16 33 1