@MOLECULE (1S,2S)-1-[(R)-3,3-dimethylbutylsulfinyl]-2-methyl-cyclobutane 35 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.3711 0.0997 -1.6705 C.3 1 UNL11111111 -0.4661 2 C -3.3397 0.1923 -0.1382 C.3 1 UNL11111111 0.1299 3 C -3.4388 1.6644 0.2904 C.3 1 UNL11111111 -0.4677 4 C -4.5455 -0.5778 0.4343 C.3 1 UNL11111111 -0.4729 5 C -2.0519 -0.4591 0.4277 C.3 1 UNL11111111 -0.2773 6 C -0.7719 0.2173 -0.0494 C.3 1 UNL11111111 -0.4859 7 S 0.6981 -0.6383 0.6670 S.O 1 UNL11111111 1.0432 8 O 0.6664 -2.0244 0.1356 O.2 1 UNL11111111 -0.7916 9 C 1.9720 0.2398 -0.3186 C.3 1 UNL11111111 -0.3646 10 H 1.7848 0.1052 -1.3945 H 1 UNL11111111 0.1613 11 C 3.4381 -0.1150 0.0758 C.3 1 UNL11111111 -0.0577 12 H 3.5223 -0.7760 0.9577 H 1 UNL11111111 0.1426 13 C 4.2761 -0.6588 -1.0641 C.3 1 UNL11111111 -0.4568 14 C 3.6921 1.3824 0.4278 C.3 1 UNL11111111 -0.2964 15 C 2.2140 1.7117 0.0901 C.3 1 UNL11111111 -0.2704 16 H -2.5849 0.7069 -2.1299 H 1 UNL11111111 0.1424 17 H -3.2308 -0.9329 -2.0091 H 1 UNL11111111 0.1513 18 H -4.3282 0.4511 -2.0698 H 1 UNL11111111 0.1441 19 H -4.4040 2.0945 0.0029 H 1 UNL11111111 0.1424 20 H -3.3405 1.7723 1.3748 H 1 UNL11111111 0.1416 21 H -2.6616 2.2749 -0.1796 H 1 UNL11111111 0.1422 22 H -4.5160 -1.6348 0.1482 H 1 UNL11111111 0.1495 23 H -4.5694 -0.5298 1.5273 H 1 UNL11111111 0.1420 24 H -5.4910 -0.1662 0.0670 H 1 UNL11111111 0.1450 25 H -2.1111 -0.4497 1.5337 H 1 UNL11111111 0.1389 26 H -2.0436 -1.5328 0.1355 H 1 UNL11111111 0.1619 27 H -0.7270 0.2039 -1.1519 H 1 UNL11111111 0.1620 28 H -0.7420 1.2747 0.2576 H 1 UNL11111111 0.1554 29 H 4.2264 -0.0237 -1.9556 H 1 UNL11111111 0.1463 30 H 5.3311 -0.7427 -0.7780 H 1 UNL11111111 0.1462 31 H 3.9338 -1.6618 -1.3579 H 1 UNL11111111 0.1615 32 H 3.9758 1.5610 1.4661 H 1 UNL11111111 0.1372 33 H 4.4235 1.8796 -0.2125 H 1 UNL11111111 0.1413 34 H 2.0893 2.4278 -0.7282 H 1 UNL11111111 0.1404 35 H 1.6367 2.0818 0.9417 H 1 UNL11111111 0.1386 @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