@MOLECULE [(S)-(3,3-dimethylcyclobutyl)sulfinyl]cyclohexane 36 37 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.8081 1.0039 -0.2332 C.3 1 UNL111 -0.3005 2 C -3.2298 0.3838 -0.0278 C.3 1 UNL111 0.1129 3 C -4.2459 1.3534 0.5508 C.3 1 UNL111 -0.4690 4 C -3.7666 -0.3147 -1.2635 C.3 1 UNL111 -0.4714 5 C -2.6203 -0.5954 1.0305 C.3 1 UNL111 -0.2973 6 C -1.2214 0.0354 0.8199 C.3 1 UNL111 -0.3364 7 S 0.0182 -1.1735 0.2144 S.O 1 UNL111 0.9944 8 O -0.1523 -1.2694 -1.2602 O.2 1 UNL111 -0.7899 9 C 1.5667 -0.1817 0.4921 C.3 1 UNL111 -0.2983 10 C 2.7662 -1.0998 0.2346 C.3 1 UNL111 -0.2598 11 C 4.0791 -0.3371 0.4763 C.3 1 UNL111 -0.2634 12 C 4.1547 0.8994 -0.4279 C.3 1 UNL111 -0.2649 13 C 2.9474 1.8127 -0.1819 C.3 1 UNL111 -0.2607 14 C 1.6358 1.0470 -0.4146 C.3 1 UNL111 -0.2711 15 H -1.4205 0.8792 -1.2536 H 1 UNL111 0.1708 16 H -1.7322 2.0610 0.0274 H 1 UNL111 0.1380 17 H -4.5011 2.1379 -0.1721 H 1 UNL111 0.1508 18 H -5.1762 0.8404 0.8203 H 1 UNL111 0.1468 19 H -3.8707 1.8490 1.4528 H 1 UNL111 0.1436 20 H -3.0128 -0.9885 -1.7010 H 1 UNL111 0.1718 21 H -4.6529 -0.9155 -1.0363 H 1 UNL111 0.1433 22 H -4.0402 0.4048 -2.0435 H 1 UNL111 0.1491 23 H -3.0176 -0.4718 2.0405 H 1 UNL111 0.1380 24 H -2.7220 -1.6514 0.7650 H 1 UNL111 0.1508 25 H -0.8366 0.5426 1.7150 H 1 UNL111 0.1471 26 H 1.5689 0.1368 1.5570 H 1 UNL111 0.1445 27 H 2.7365 -1.9941 0.8850 H 1 UNL111 0.1321 28 H 2.7505 -1.4758 -0.8102 H 1 UNL111 0.1567 29 H 4.1537 -0.0357 1.5367 H 1 UNL111 0.1312 30 H 4.9414 -1.0014 0.2857 H 1 UNL111 0.1289 31 H 5.0944 1.4504 -0.2461 H 1 UNL111 0.1281 32 H 4.1816 0.5888 -1.4898 H 1 UNL111 0.1417 33 H 2.9768 2.2110 0.8486 H 1 UNL111 0.1311 34 H 2.9932 2.6911 -0.8514 H 1 UNL111 0.1331 35 H 1.5670 0.7422 -1.4817 H 1 UNL111 0.1650 36 H 0.7807 1.7262 -0.2395 H 1 UNL111 0.1328 @BOND 1 22 4 1 2 20 4 1 3 32 12 1 4 35 14 1 5 4 21 1 6 4 2 1 7 8 7 2 8 15 1 1 9 34 13 1 10 28 10 1 11 12 31 1 12 12 13 1 13 12 11 1 14 14 36 1 15 14 13 1 16 14 9 1 17 1 2 1 18 1 16 1 19 1 6 1 20 13 33 1 21 17 3 1 22 2 3 1 23 2 5 1 24 7 9 1 25 7 6 1 26 10 11 1 27 10 9 1 28 10 27 1 29 30 11 1 30 11 29 1 31 9 26 1 32 3 18 1 33 3 19 1 34 24 5 1 35 6 5 1 36 6 25 1 37 5 23 1