@MOLECULE (1R,2R)-1-[(S)-2,2-dimethylpropylsulfinyl]-2-methyl-cyclobutane 32 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.9859 1.2621 -0.4688 C.3 1 UNL11111111 -0.4773 2 C -2.6420 -0.1945 -0.1342 C.3 1 UNL11111111 0.1616 3 C -2.9341 -0.4736 1.3486 C.3 1 UNL11111111 -0.4708 4 C -3.5390 -1.1176 -0.9902 C.3 1 UNL11111111 -0.4722 5 C -1.1793 -0.5131 -0.4971 C.3 1 UNL11111111 -0.5228 6 S 0.0722 0.3505 0.5449 S.O 1 UNL11111111 1.0529 7 O -0.0278 1.8022 0.2446 O.2 1 UNL11111111 -0.7967 8 C 1.5454 -0.2310 -0.3846 C.3 1 UNL11111111 -0.3643 9 H 1.4425 0.0043 -1.4543 H 1 UNL11111111 0.1595 10 C 2.9027 0.2651 0.2005 C.3 1 UNL11111111 -0.0548 11 H 2.8106 0.8243 1.1496 H 1 UNL11111111 0.1437 12 C 3.7514 1.0454 -0.7833 C.3 1 UNL11111111 -0.4576 13 C 3.3337 -1.2169 0.4212 C.3 1 UNL11111111 -0.2962 14 C 1.9560 -1.6961 -0.1085 C.3 1 UNL11111111 -0.2703 15 H -2.3724 1.9759 0.1019 H 1 UNL11111111 0.1804 16 H -2.8126 1.4868 -1.5263 H 1 UNL11111111 0.1475 17 H -4.0328 1.4873 -0.2464 H 1 UNL11111111 0.1401 18 H -4.0093 -0.4125 1.5512 H 1 UNL11111111 0.1439 19 H -2.6015 -1.4713 1.6482 H 1 UNL11111111 0.1395 20 H -2.4533 0.2577 2.0080 H 1 UNL11111111 0.1553 21 H -3.3549 -0.9731 -2.0596 H 1 UNL11111111 0.1448 22 H -3.3693 -2.1722 -0.7586 H 1 UNL11111111 0.1389 23 H -4.5992 -0.9084 -0.8132 H 1 UNL11111111 0.1453 24 H -0.9951 -1.5954 -0.3960 H 1 UNL11111111 0.1565 25 H -1.0175 -0.2637 -1.5604 H 1 UNL11111111 0.1629 26 H 3.2847 2.0133 -1.0179 H 1 UNL11111111 0.1621 27 H 4.7478 1.2520 -0.3763 H 1 UNL11111111 0.1462 28 H 3.8873 0.5108 -1.7300 H 1 UNL11111111 0.1458 29 H 4.1861 -1.5349 -0.1815 H 1 UNL11111111 0.1406 30 H 3.5388 -1.4777 1.4607 H 1 UNL11111111 0.1370 31 H 1.3607 -2.2367 0.6320 H 1 UNL11111111 0.1386 32 H 2.0123 -2.3190 -1.0066 H 1 UNL11111111 0.1399 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 8 10 1 10 10 11 1 11 10 12 1 12 10 13 1 13 13 14 1 14 8 14 1 15 1 15 1 16 1 16 1 17 1 17 1 18 3 18 1 19 3 19 1 20 3 20 1 21 4 21 1 22 4 22 1 23 4 23 1 24 5 24 1 25 5 25 1 26 12 26 1 27 12 27 1 28 12 28 1 29 13 29 1 30 13 30 1 31 14 31 1 32 14 32 1