@MOLECULE (1S,2S)-1-[(R)-cyclobutylsulfinyl]-2-methyl-cyclobutane 27 28 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.0713 0.3816 -1.3059 C.3 1 UNL11111111 -0.2671 2 C -3.5027 0.0777 -0.7879 C.3 1 UNL11111111 -0.2655 3 C -3.0171 0.3054 0.6687 C.3 1 UNL11111111 -0.2576 4 C -1.6022 0.6612 0.1439 C.3 1 UNL11111111 -0.3443 5 S -0.2663 -0.3993 0.8109 S.O 1 UNL11111111 1.0282 6 O -0.5265 -1.7851 0.3439 O.2 1 UNL11111111 -0.7855 7 C 1.0822 0.2297 -0.2604 C.3 1 UNL11111111 -0.3605 8 H 0.8201 0.0929 -1.3209 H 1 UNL11111111 0.1624 9 C 2.4885 -0.3474 0.0850 C.3 1 UNL11111111 -0.0561 10 H 2.5083 -0.9769 0.9937 H 1 UNL11111111 0.1430 11 C 3.1629 -1.0705 -1.0635 C.3 1 UNL11111111 -0.4561 12 C 3.0007 1.1004 0.3544 C.3 1 UNL11111111 -0.2934 13 C 1.5791 1.6557 0.0734 C.3 1 UNL11111111 -0.2701 14 H -1.5957 -0.4776 -1.7955 H 1 UNL11111111 0.1579 15 H -2.0006 1.2391 -1.9787 H 1 UNL11111111 0.1353 16 H -4.2688 0.7758 -1.1285 H 1 UNL11111111 0.1340 17 H -3.8470 -0.9401 -0.9934 H 1 UNL11111111 0.1477 18 H -3.5187 1.1212 1.1946 H 1 UNL11111111 0.1341 19 H -3.0806 -0.5900 1.2974 H 1 UNL11111111 0.1536 20 H -1.3283 1.7120 0.3180 H 1 UNL11111111 0.1498 21 H 3.1770 -0.4707 -1.9805 H 1 UNL11111111 0.1463 22 H 4.2012 -1.3246 -0.8203 H 1 UNL11111111 0.1455 23 H 2.6393 -2.0098 -1.2950 H 1 UNL11111111 0.1619 24 H 3.3654 1.2693 1.3687 H 1 UNL11111111 0.1369 25 H 3.7664 1.4461 -0.3427 H 1 UNL11111111 0.1408 26 H 1.5268 2.3534 -0.7682 H 1 UNL11111111 0.1409 27 H 1.1149 2.1432 0.9349 H 1 UNL11111111 0.1380 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 1 4 1 5 4 5 1 6 5 6 2 7 5 7 1 8 7 8 1 9 7 9 1 10 9 10 1 11 9 11 1 12 9 12 1 13 12 13 1 14 7 13 1 15 1 14 1 16 1 15 1 17 2 16 1 18 2 17 1 19 3 18 1 20 3 19 1 21 4 20 1 22 11 21 1 23 11 22 1 24 11 23 1 25 12 24 1 26 12 25 1 27 13 26 1 28 13 27 1