@MOLECULE (1S,2S)-1-[(S)-butylsulfinyl]-2-methyl-cyclobutane 29 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.1434 -0.0993 -0.1567 C.3 1 UNL111 -0.4430 2 C 3.7759 -0.7515 -0.3559 C.3 1 UNL111 -0.2506 3 C 2.6473 0.2586 -0.0895 C.3 1 UNL111 -0.2481 4 C 1.2903 -0.3920 -0.3371 C.3 1 UNL111 -0.4936 5 S -0.0676 0.8141 -0.0137 S.O 1 UNL111 1.0429 6 O -0.0896 1.0277 1.4549 O.2 1 UNL111 -0.7886 7 C -1.4548 -0.3063 -0.4204 C.3 1 UNL111 -0.3707 8 H -1.3365 -0.6448 -1.4599 H 1 UNL111 0.1525 9 C -2.8665 0.2931 -0.1397 C.3 1 UNL111 -0.0653 10 H -2.8451 1.2424 0.4289 H 1 UNL111 0.1496 11 C -3.7461 0.4273 -1.3674 C.3 1 UNL111 -0.4570 12 C -3.1907 -0.9248 0.7765 C.3 1 UNL111 -0.2876 13 C -1.7509 -1.4617 0.5660 C.3 1 UNL111 -0.2686 14 H 5.2576 0.2863 0.8634 H 1 UNL111 0.1479 15 H 5.9548 -0.8151 -0.3289 H 1 UNL111 0.1408 16 H 5.2936 0.7399 -0.8444 H 1 UNL111 0.1404 17 H 3.6939 -1.1521 -1.3831 H 1 UNL111 0.1296 18 H 3.6708 -1.6216 0.3198 H 1 UNL111 0.1367 19 H 2.7207 0.6250 0.9569 H 1 UNL111 0.1574 20 H 2.7907 1.1484 -0.7326 H 1 UNL111 0.1380 21 H 1.2109 -0.7474 -1.3764 H 1 UNL111 0.1530 22 H 1.1726 -1.2787 0.3107 H 1 UNL111 0.1639 23 H -3.8200 -0.5127 -1.9263 H 1 UNL111 0.1452 24 H -4.7667 0.7193 -1.0895 H 1 UNL111 0.1479 25 H -3.3624 1.1913 -2.0540 H 1 UNL111 0.1460 26 H -3.4283 -0.6580 1.8095 H 1 UNL111 0.1473 27 H -3.9791 -1.5798 0.4024 H 1 UNL111 0.1390 28 H -1.6947 -2.4604 0.1271 H 1 UNL111 0.1351 29 H -1.1481 -1.4580 1.4836 H 1 UNL111 0.1600 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 2 6 5 7 1 7 7 8 1 8 7 9 1 9 9 10 1 10 9 11 1 11 9 12 1 12 12 13 1 13 7 13 1 14 1 14 1 15 1 15 1 16 1 16 1 17 2 17 1 18 2 18 1 19 3 19 1 20 3 20 1 21 4 21 1 22 4 22 1 23 11 23 1 24 11 24 1 25 11 25 1 26 12 26 1 27 12 27 1 28 13 28 1 29 13 29 1