@MOLECULE (2R)-2-[(R)-isopropylsulfinyl]-1,1-dimethyl-cyclobutane 29 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.1842 0.4734 -0.2230 C.3 1 UNL111 -0.2676 2 C -3.3975 -0.4386 -0.3371 C.3 1 UNL111 -0.4385 3 C -2.4834 1.6896 0.6426 C.3 1 UNL111 -0.4440 4 S -0.7779 -0.5022 0.5303 S.O 1 UNL111 1.0192 5 O -0.7086 -1.7483 -0.2807 O.2 1 UNL111 -0.7999 6 C 0.5822 0.5903 -0.0125 C.3 1 UNL111 -0.3812 7 H 0.4258 1.5639 0.4804 H 1 UNL111 0.1529 8 C 2.0562 0.0826 0.1778 C.3 1 UNL111 0.1304 9 C 2.8698 1.0010 1.0808 C.3 1 UNL111 -0.4703 10 C 2.2435 -1.3669 0.5829 C.3 1 UNL111 -0.4770 11 C 2.3095 0.3197 -1.3478 C.3 1 UNL111 -0.3030 12 C 0.8266 0.7226 -1.5340 C.3 1 UNL111 -0.2728 13 H -1.8843 0.8023 -1.2441 H 1 UNL111 0.1492 14 H -4.2204 0.0630 -0.8621 H 1 UNL111 0.1424 15 H -3.1686 -1.3558 -0.9062 H 1 UNL111 0.1715 16 H -3.7839 -0.7548 0.6391 H 1 UNL111 0.1467 17 H -2.7529 1.4197 1.6722 H 1 UNL111 0.1507 18 H -1.6477 2.3978 0.6873 H 1 UNL111 0.1390 19 H -3.3405 2.2467 0.2360 H 1 UNL111 0.1520 20 H 2.5533 0.9142 2.1262 H 1 UNL111 0.1473 21 H 3.9359 0.7480 1.0390 H 1 UNL111 0.1490 22 H 2.7752 2.0528 0.7904 H 1 UNL111 0.1433 23 H 1.6619 -2.0549 -0.0553 H 1 UNL111 0.1848 24 H 3.2940 -1.6670 0.4927 H 1 UNL111 0.1457 25 H 1.9380 -1.5528 1.6181 H 1 UNL111 0.1494 26 H 3.0282 1.1089 -1.5719 H 1 UNL111 0.1385 27 H 2.6064 -0.5765 -1.8979 H 1 UNL111 0.1494 28 H 0.2639 0.0157 -2.1583 H 1 UNL111 0.1584 29 H 0.6713 1.7265 -1.9359 H 1 UNL111 0.1345 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 2 5 4 6 1 6 6 7 1 7 6 8 1 8 8 9 1 9 8 10 1 10 8 11 1 11 11 12 1 12 6 12 1 13 1 13 1 14 2 14 1 15 2 15 1 16 2 16 1 17 3 17 1 18 3 18 1 19 3 19 1 20 9 20 1 21 9 21 1 22 9 22 1 23 10 23 1 24 10 24 1 25 10 25 1 26 11 26 1 27 11 27 1 28 12 28 1 29 12 29 1