@MOLECULE (1R,2R)-1-[(S)-isopropylsulfinyl]-2-methyl-cyclobutane 26 26 0 0 0 SMALL USER_CHARGES @ATOM 1 C 1.9868 -0.2498 0.5507 C.3 1 UNL11111111 -0.2692 2 C 2.1477 -1.7517 0.3650 C.3 1 UNL11111111 -0.4459 3 C 3.2789 0.4929 0.2401 C.3 1 UNL11111111 -0.4381 4 S 0.6554 0.3753 -0.5992 S.O 1 UNL11111111 1.0144 5 O 0.6290 1.8482 -0.3941 O.2 1 UNL11111111 -0.7926 6 C -0.8034 -0.2722 0.3073 C.3 1 UNL11111111 -0.3626 7 H -0.6329 -0.2660 1.3926 H 1 UNL11111111 0.1549 8 C -2.1452 0.4183 -0.0864 C.3 1 UNL11111111 -0.0554 9 H -2.0484 1.1534 -0.9080 H 1 UNL11111111 0.1512 10 C -2.8915 1.0382 1.0779 C.3 1 UNL11111111 -0.4555 11 C -2.6967 -0.9569 -0.5707 C.3 1 UNL11111111 -0.2962 12 C -1.3390 -1.6231 -0.2241 C.3 1 UNL11111111 -0.2689 13 H 1.6904 -0.0278 1.6009 H 1 UNL11111111 0.1484 14 H 2.4219 -2.0234 -0.6629 H 1 UNL11111111 0.1501 15 H 2.9516 -2.1353 1.0101 H 1 UNL11111111 0.1523 16 H 1.2420 -2.3106 0.6307 H 1 UNL11111111 0.1424 17 H 3.6632 0.2756 -0.7637 H 1 UNL11111111 0.1464 18 H 3.1497 1.5863 0.3102 H 1 UNL11111111 0.1704 19 H 4.0686 0.2226 0.9524 H 1 UNL11111111 0.1435 20 H -2.3593 1.9239 1.4544 H 1 UNL11111111 0.1609 21 H -3.8946 1.3637 0.7773 H 1 UNL11111111 0.1475 22 H -3.0076 0.3429 1.9165 H 1 UNL11111111 0.1441 23 H -3.5450 -1.3323 0.0045 H 1 UNL11111111 0.1408 24 H -2.9641 -0.9888 -1.6283 H 1 UNL11111111 0.1384 25 H -0.8174 -2.0445 -1.0882 H 1 UNL11111111 0.1411 26 H -1.4049 -2.4064 0.5370 H 1 UNL11111111 0.1378 @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 10 20 1 21 10 21 1 22 10 22 1 23 11 23 1 24 11 24 1 25 12 25 1 26 12 26 1