@MOLECULE (1R,2R)-1-[(S)-3,3-dimethylbutylsulfinyl]-2-methyl-cyclobutane 35 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.4388 1.6644 -0.2904 C.3 1 UNL111 -0.4677 2 C -3.3396 0.1923 0.1382 C.3 1 UNL111 0.1299 3 C -3.3710 0.0997 1.6705 C.3 1 UNL111 -0.4661 4 C -4.5455 -0.5778 -0.4343 C.3 1 UNL111 -0.4729 5 C -2.0519 -0.4591 -0.4277 C.3 1 UNL111 -0.2773 6 C -0.7718 0.2173 0.0494 C.3 1 UNL111 -0.4859 7 S 0.6981 -0.6383 -0.6670 S.O 1 UNL111 1.0432 8 O 0.6664 -2.0244 -0.1356 O.2 1 UNL111 -0.7916 9 C 1.9720 0.2398 0.3186 C.3 1 UNL111 -0.3646 10 H 1.7848 0.1052 1.3946 H 1 UNL111 0.1613 11 C 3.4381 -0.1150 -0.0757 C.3 1 UNL111 -0.0577 12 H 3.5223 -0.7761 -0.9577 H 1 UNL111 0.1426 13 C 4.2761 -0.6587 1.0641 C.3 1 UNL111 -0.4568 14 C 3.6921 1.3823 -0.4278 C.3 1 UNL111 -0.2964 15 C 2.2140 1.7117 -0.0900 C.3 1 UNL111 -0.2704 16 H -2.6616 2.2749 0.1796 H 1 UNL111 0.1422 17 H -3.3405 1.7723 -1.3748 H 1 UNL111 0.1416 18 H -4.4041 2.0944 -0.0030 H 1 UNL111 0.1424 19 H -4.3282 0.4512 2.0698 H 1 UNL111 0.1441 20 H -3.2308 -0.9329 2.0092 H 1 UNL111 0.1513 21 H -2.5849 0.7069 2.1299 H 1 UNL111 0.1424 22 H -4.5694 -0.5298 -1.5272 H 1 UNL111 0.1420 23 H -4.5160 -1.6348 -0.1481 H 1 UNL111 0.1495 24 H -5.4910 -0.1662 -0.0670 H 1 UNL111 0.1450 25 H -2.0435 -1.5327 -0.1354 H 1 UNL111 0.1619 26 H -2.1112 -0.4498 -1.5337 H 1 UNL111 0.1389 27 H -0.7419 1.2747 -0.2576 H 1 UNL111 0.1554 28 H -0.7269 0.2040 1.1519 H 1 UNL111 0.1620 29 H 3.9338 -1.6618 1.3580 H 1 UNL111 0.1615 30 H 5.3312 -0.7426 0.7781 H 1 UNL111 0.1462 31 H 4.2264 -0.0237 1.9556 H 1 UNL111 0.1463 32 H 4.4235 1.8796 0.2124 H 1 UNL111 0.1413 33 H 3.9757 1.5609 -1.4662 H 1 UNL111 0.1372 34 H 1.6366 2.0817 -0.9416 H 1 UNL111 0.1386 35 H 2.0894 2.4278 0.7282 H 1 UNL111 0.1404 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 6 7 1 7 7 8 2 8 7 9 1 9 9 10 1 10 9 11 1 11 11 12 1 12 11 13 1 13 11 14 1 14 14 15 1 15 9 15 1 16 1 16 1 17 1 17 1 18 1 18 1 19 3 19 1 20 3 20 1 21 3 21 1 22 4 22 1 23 4 23 1 24 4 24 1 25 5 25 1 26 5 26 1 27 6 27 1 28 6 28 1 29 13 29 1 30 13 30 1 31 13 31 1 32 14 32 1 33 14 33 1 34 15 34 1 35 15 35 1