@MOLECULE (2R)-2-[(R)-butylsulfinyl]-1,1-dimethyl-cyclobutane 32 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.3705 -0.0132 0.1033 C.3 1 UNL111 -0.4430 2 C 4.0329 -0.7512 0.0593 C.3 1 UNL111 -0.2505 3 C 2.8624 0.2354 0.2051 C.3 1 UNL111 -0.2484 4 C 1.5352 -0.5159 0.1998 C.3 1 UNL111 -0.4922 5 S 0.1314 0.6807 0.2858 S.O 1 UNL111 1.0518 6 O 0.0902 1.3434 -1.0436 O.2 1 UNL111 -0.7978 7 C -1.2054 -0.5633 0.3369 C.3 1 UNL111 -0.3854 8 H -1.0594 -1.1571 1.2536 H 1 UNL111 0.1522 9 C -2.6839 -0.0463 0.2171 C.3 1 UNL111 0.1295 10 C -3.5220 -0.4129 1.4358 C.3 1 UNL111 -0.4707 11 C -2.8818 1.4136 -0.1446 C.3 1 UNL111 -0.4779 12 C -2.8956 -1.0048 -1.0007 C.3 1 UNL111 -0.3047 13 C -1.4124 -1.4409 -0.9197 C.3 1 UNL111 -0.2707 14 H 5.5077 0.5136 1.0537 H 1 UNL111 0.1401 15 H 6.2111 -0.7062 -0.0128 H 1 UNL111 0.1407 16 H 5.4451 0.7302 -0.6993 H 1 UNL111 0.1478 17 H 3.9401 -1.3063 -0.8937 H 1 UNL111 0.1370 18 H 3.9936 -1.5117 0.8607 H 1 UNL111 0.1295 19 H 2.9865 0.8232 1.1350 H 1 UNL111 0.1371 20 H 2.9000 0.9714 -0.6267 H 1 UNL111 0.1576 21 H 1.4514 -1.1307 -0.7138 H 1 UNL111 0.1643 22 H 1.4732 -1.2086 1.0530 H 1 UNL111 0.1523 23 H -3.2112 0.1575 2.3185 H 1 UNL111 0.1472 24 H -4.5831 -0.1965 1.2628 H 1 UNL111 0.1492 25 H -3.4455 -1.4770 1.6833 H 1 UNL111 0.1439 26 H -2.2896 1.7060 -1.0292 H 1 UNL111 0.1844 27 H -3.9307 1.6179 -0.3893 H 1 UNL111 0.1461 28 H -2.5992 2.0878 0.6712 H 1 UNL111 0.1494 29 H -3.6180 -1.8039 -0.8301 H 1 UNL111 0.1386 30 H -3.1663 -0.4966 -1.9299 H 1 UNL111 0.1497 31 H -0.8266 -1.1419 -1.7992 H 1 UNL111 0.1585 32 H -1.2588 -2.5106 -0.7580 H 1 UNL111 0.1347 @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 10 23 1 24 10 24 1 25 10 25 1 26 11 26 1 27 11 27 1 28 11 28 1 29 12 29 1 30 12 30 1 31 13 31 1 32 13 32 1