@MOLECULE S-[(1R,2R)-2-methylcyclobutyl] cyclohexanecarbothioate 34 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.2913 -1.2397 -0.3031 C.3 1 UNL11111111 -0.2606 2 C -3.7313 -1.2563 -0.8298 C.3 1 UNL11111111 -0.2610 3 C -4.6410 -0.3887 0.0499 C.3 1 UNL11111111 -0.2649 4 C -4.1142 1.0508 0.1148 C.3 1 UNL11111111 -0.2615 5 C -2.6804 1.0722 0.6566 C.3 1 UNL11111111 -0.2614 6 C -1.7703 0.2083 -0.2347 C.3 1 UNL11111111 -0.1881 7 C -0.3941 0.1745 0.3785 C.2 1 UNL11111111 0.4232 8 O -0.1662 -0.1025 1.5212 O.2 1 UNL11111111 -0.4340 9 S 0.9495 0.5829 -0.7732 S.3 1 UNL11111111 -0.1455 10 C 2.4446 0.3148 0.2295 C.3 1 UNL11111111 -0.1650 11 H 2.1631 0.1503 1.2876 H 1 UNL11111111 0.1798 12 C 3.4125 -0.7749 -0.3263 C.3 1 UNL11111111 -0.0845 13 H 3.1236 -1.1740 -1.3153 H 1 UNL11111111 0.1467 14 C 3.6869 -1.9079 0.6407 C.3 1 UNL11111111 -0.4546 15 C 4.5364 0.3007 -0.4288 C.3 1 UNL11111111 -0.2953 16 C 3.5430 1.3912 0.0493 C.3 1 UNL11111111 -0.2776 17 H -2.2503 -1.7042 0.7023 H 1 UNL11111111 0.1536 18 H -1.6407 -1.8525 -0.9545 H 1 UNL11111111 0.1405 19 H -3.7583 -0.8939 -1.8744 H 1 UNL11111111 0.1371 20 H -4.1094 -2.2948 -0.8582 H 1 UNL11111111 0.1330 21 H -5.6732 -0.3995 -0.3437 H 1 UNL11111111 0.1295 22 H -4.6984 -0.8148 1.0694 H 1 UNL11111111 0.1399 23 H -4.1497 1.5135 -0.8894 H 1 UNL11111111 0.1367 24 H -4.7699 1.6671 0.7570 H 1 UNL11111111 0.1334 25 H -2.3024 2.1101 0.7001 H 1 UNL11111111 0.1390 26 H -2.6599 0.6938 1.6987 H 1 UNL11111111 0.1570 27 H -1.7655 0.6395 -1.2661 H 1 UNL11111111 0.1672 28 H 2.7959 -2.5339 0.7815 H 1 UNL11111111 0.1536 29 H 4.4922 -2.5565 0.2748 H 1 UNL11111111 0.1489 30 H 3.9868 -1.5425 1.6304 H 1 UNL11111111 0.1509 31 H 5.3832 0.1350 0.2404 H 1 UNL11111111 0.1450 32 H 4.9262 0.4501 -1.4374 H 1 UNL11111111 0.1409 33 H 3.3390 2.1696 -0.6923 H 1 UNL11111111 0.1520 34 H 3.8276 1.8938 0.9791 H 1 UNL11111111 0.1461 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 1 6 1 7 6 7 1 8 7 8 2 9 7 9 1 10 9 10 1 11 10 11 1 12 10 12 1 13 12 13 1 14 12 14 1 15 12 15 1 16 15 16 1 17 10 16 1 18 1 17 1 19 1 18 1 20 2 19 1 21 2 20 1 22 3 21 1 23 3 22 1 24 4 23 1 25 4 24 1 26 5 25 1 27 5 26 1 28 6 27 1 29 14 28 1 30 14 29 1 31 14 30 1 32 15 31 1 33 15 32 1 34 16 33 1 35 16 34 1