@MOLECULE (1S,2S)-1-[(S)-2,2-dimethylbutylsulfinyl]-2-methyl-cyclobutane 35 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.7428 -0.7718 -0.3876 C.3 1 UNL111111111111 -0.4368 2 C 3.2559 -1.0896 -0.5382 C.3 1 UNL111111111111 -0.2805 3 C 2.3056 0.0596 -0.0903 C.3 1 UNL111111111111 0.1422 4 C 2.5733 0.4103 1.3771 C.3 1 UNL111111111111 -0.4737 5 C 2.5293 1.2918 -0.9788 C.3 1 UNL111111111111 -0.4682 6 C 0.8718 -0.4893 -0.2627 C.3 1 UNL111111111111 -0.5256 7 S -0.4595 0.7457 0.0555 S.O 1 UNL111111111111 1.0515 8 O -0.5660 0.8944 1.5297 O.2 1 UNL111111111111 -0.7963 9 C -1.8563 -0.3133 -0.4742 C.3 1 UNL111111111111 -0.3682 10 H -1.7402 -0.5247 -1.5472 H 1 UNL111111111111 0.1521 11 C -3.2622 0.2616 -0.1215 C.3 1 UNL111111111111 -0.0647 12 H -3.2301 1.1338 0.5596 H 1 UNL111111111111 0.1522 13 C -4.1410 0.5539 -1.3215 C.3 1 UNL111111111111 -0.4577 14 C -3.5997 -1.0550 0.6398 C.3 1 UNL111111111111 -0.2889 15 C -2.1644 -1.5755 0.3668 C.3 1 UNL111111111111 -0.2687 16 H 5.0387 0.0918 -0.9923 H 1 UNL111111111111 0.1401 17 H 5.0066 -0.5538 0.6536 H 1 UNL111111111111 0.1479 18 H 5.3578 -1.6211 -0.7073 H 1 UNL111111111111 0.1382 19 H 3.0440 -1.3436 -1.5935 H 1 UNL111111111111 0.1296 20 H 3.0212 -1.9986 0.0490 H 1 UNL111111111111 0.1362 21 H 3.5656 0.8518 1.5106 H 1 UNL111111111111 0.1421 22 H 1.8465 1.1340 1.7742 H 1 UNL111111111111 0.1752 23 H 2.5107 -0.4742 2.0202 H 1 UNL111111111111 0.1481 24 H 2.2683 1.0932 -2.0222 H 1 UNL111111111111 0.1393 25 H 1.9477 2.1564 -0.6401 H 1 UNL111111111111 0.1535 26 H 3.5797 1.6038 -0.9584 H 1 UNL111111111111 0.1451 27 H 0.7399 -0.8679 -1.2889 H 1 UNL111111111111 0.1539 28 H 0.7333 -1.3508 0.4146 H 1 UNL111111111111 0.1664 29 H -4.2212 -0.3082 -1.9933 H 1 UNL111111111111 0.1446 30 H -5.1598 0.8153 -1.0088 H 1 UNL111111111111 0.1478 31 H -3.7515 1.3952 -1.9069 H 1 UNL111111111111 0.1462 32 H -3.8362 -0.9126 1.6974 H 1 UNL111111111111 0.1471 33 H -4.3937 -1.6521 0.1889 H 1 UNL111111111111 0.1383 34 H -2.1168 -2.5147 -0.1887 H 1 UNL111111111111 0.1348 35 H -1.5665 -1.6876 1.2801 H 1 UNL111111111111 0.1569 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 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 2 19 1 20 2 20 1 21 4 21 1 22 4 22 1 23 4 23 1 24 5 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