@MOLECULE (2R)-2-[(R)-3,3-dimethylbutylsulfinyl]-1,1-dimethyl-cyclobutane 38 38 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.5798 0.8754 -1.3198 C.3 1 UNL11111111 -0.4654 2 C -3.5772 0.1816 0.0505 C.3 1 UNL11111111 0.1298 3 C -3.7315 1.2319 1.1612 C.3 1 UNL11111111 -0.4677 4 C -4.7686 -0.7931 0.1173 C.3 1 UNL11111111 -0.4732 5 C -2.2769 -0.6411 0.2438 C.3 1 UNL11111111 -0.2770 6 C -1.0230 0.2243 0.2842 C.3 1 UNL11111111 -0.4837 7 S 0.4868 -0.8373 0.3465 S.O 1 UNL11111111 1.0467 8 O 0.5447 -1.5337 -0.9653 O.2 1 UNL11111111 -0.7990 9 C 1.6961 0.5330 0.3065 C.3 1 UNL11111111 -0.3839 10 H 1.4956 1.1678 1.1846 H 1 UNL11111111 0.1516 11 C 3.2198 0.1672 0.2019 C.3 1 UNL11111111 0.1290 12 C 4.0206 0.6913 1.3874 C.3 1 UNL11111111 -0.4708 13 C 3.5667 -1.2838 -0.0733 C.3 1 UNL11111111 -0.4772 14 C 3.3247 1.0687 -1.0722 C.3 1 UNL11111111 -0.3051 15 C 1.8018 1.3402 -1.0083 C.3 1 UNL11111111 -0.2706 16 H -2.7927 1.6323 -1.3933 H 1 UNL11111111 0.1431 17 H -3.4188 0.1552 -2.1302 H 1 UNL11111111 0.1516 18 H -4.5338 1.3783 -1.5086 H 1 UNL11111111 0.1438 19 H -4.7022 1.7350 1.0964 H 1 UNL11111111 0.1427 20 H -3.6627 0.7767 2.1539 H 1 UNL11111111 0.1410 21 H -2.9620 2.0068 1.0931 H 1 UNL11111111 0.1428 22 H -4.7002 -1.5600 -0.6616 H 1 UNL11111111 0.1489 23 H -4.8168 -1.3022 1.0844 H 1 UNL11111111 0.1413 24 H -5.7189 -0.2683 -0.0241 H 1 UNL11111111 0.1451 25 H -2.3685 -1.2369 1.1729 H 1 UNL11111111 0.1377 26 H -2.2061 -1.3811 -0.5835 H 1 UNL11111111 0.1605 27 H -0.9852 0.8798 -0.6035 H 1 UNL11111111 0.1645 28 H -1.0282 0.8828 1.1666 H 1 UNL11111111 0.1534 29 H 3.7940 0.1294 2.3004 H 1 UNL11111111 0.1471 30 H 5.0979 0.5991 1.2049 H 1 UNL11111111 0.1488 31 H 3.8169 1.7485 1.5882 H 1 UNL11111111 0.1438 32 H 2.9932 -1.6931 -0.9222 H 1 UNL11111111 0.1827 33 H 4.6270 -1.3920 -0.3306 H 1 UNL11111111 0.1462 34 H 3.3735 -1.9291 0.7905 H 1 UNL11111111 0.1490 35 H 3.9517 1.9531 -0.9517 H 1 UNL11111111 0.1383 36 H 3.6520 0.5413 -1.9714 H 1 UNL11111111 0.1490 37 H 1.2534 0.9143 -1.8601 H 1 UNL11111111 0.1607 38 H 1.5271 2.3937 -0.9208 H 1 UNL11111111 0.1342 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 6 7 1 7 7 8 2 8 7 9 1 9 9 10 1 10 9 11 1 11 11 12 1 12 11 13 1 13 11 14 1 14 14 15 1 15 9 15 1 16 1 16 1 17 1 17 1 18 1 18 1 19 3 19 1 20 3 20 1 21 3 21 1 22 4 22 1 23 4 23 1 24 4 24 1 25 5 25 1 26 5 26 1 27 6 27 1 28 6 28 1 29 12 29 1 30 12 30 1 31 12 31 1 32 13 32 1 33 13 33 1 34 13 34 1 35 14 35 1 36 14 36 1 37 15 37 1 38 15 38 1