@MOLECULE S-[(1R,2R)-2-methylcyclobutyl] (1S,2R)-2-methylcyclobutanecarbothioate 31 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.0237 0.7332 -0.5240 C.3 1 UNL111 -0.0538 2 H -3.3303 1.0516 -1.5367 H 1 UNL111 0.1378 3 C -2.4236 1.8943 0.2380 C.3 1 UNL111 -0.4640 4 C -4.1519 -0.0225 0.2388 C.3 1 UNL111 -0.2966 5 C -3.3138 -1.3225 0.2102 C.3 1 UNL111 -0.2585 6 C -2.1852 -0.5956 -0.5765 C.3 1 UNL111 -0.2446 7 H -2.0783 -0.9773 -1.6100 H 1 UNL111 0.1706 8 C -0.8790 -0.5568 0.1367 C.2 1 UNL111 0.4458 9 O -0.6895 -0.9063 1.2665 O.2 1 UNL111 -0.4330 10 S 0.4935 0.0685 -0.8855 S.3 1 UNL111 -0.1540 11 C 1.9068 -0.0043 0.2597 C.3 1 UNL111 -0.1611 12 H 1.6894 -0.7194 1.0757 H 1 UNL111 0.1774 13 C 3.2713 -0.2652 -0.4493 C.3 1 UNL111 -0.0812 14 H 3.2218 -0.2374 -1.5529 H 1 UNL111 0.1457 15 C 3.9800 -1.5208 0.0147 C.3 1 UNL111 -0.4547 16 C 3.8169 1.0669 0.1501 C.3 1 UNL111 -0.2946 17 C 2.4281 1.3608 0.7735 C.3 1 UNL111 -0.2770 18 H -2.0371 1.5919 1.2204 H 1 UNL111 0.1595 19 H -1.5972 2.3617 -0.3130 H 1 UNL111 0.1585 20 H -3.1740 2.6755 0.4156 H 1 UNL111 0.1509 21 H -4.3540 0.3612 1.2423 H 1 UNL111 0.1483 22 H -5.1011 -0.0773 -0.2974 H 1 UNL111 0.1386 23 H -3.0095 -1.6834 1.2007 H 1 UNL111 0.1632 24 H -3.7714 -2.1555 -0.3274 H 1 UNL111 0.1406 25 H 3.4493 -2.4224 -0.3179 H 1 UNL111 0.1528 26 H 4.9998 -1.5713 -0.3864 H 1 UNL111 0.1493 27 H 4.0568 -1.5720 1.1077 H 1 UNL111 0.1511 28 H 4.6207 0.9383 0.8785 H 1 UNL111 0.1445 29 H 4.1476 1.7942 -0.5934 H 1 UNL111 0.1406 30 H 1.9321 2.2472 0.3674 H 1 UNL111 0.1515 31 H 2.4258 1.4545 1.8640 H 1 UNL111 0.1468 @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 13 14 1 15 13 15 1 16 13 16 1 17 16 17 1 18 11 17 1 19 3 18 1 20 3 19 1 21 3 20 1 22 4 21 1 23 4 22 1 24 5 23 1 25 5 24 1 26 15 25 1 27 15 26 1 28 15 27 1 29 16 28 1 30 16 29 1 31 17 30 1 32 17 31 1