@MOLECULE 1-[(2-methyl-2-propanyl)sulfinyl]butane 28 27 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 4.6924 -0.0512 0.0437 C.3 1 UNL1 -0.4422 2 C 3.3378 -0.6979 -0.2447 C.3 1 UNL1 -0.2498 3 C 2.1856 0.2185 0.2010 C.3 1 UNL1 -0.2497 4 C 0.8432 -0.4465 -0.0902 C.3 1 UNL1 -0.4890 5 S -0.5345 0.6288 0.4921 S.O 1 UNL1 0.9977 6 O -0.5467 1.8062 -0.4171 O.2 1 UNL1 -0.7918 7 C -2.0220 -0.4000 -0.0319 C.3 1 UNL1 -0.0720 8 C -2.0150 -1.7229 0.7292 C.3 1 UNL1 -0.4630 9 C -3.2520 0.4198 0.3568 C.3 1 UNL1 -0.4557 10 C -2.0172 -0.6403 -1.5368 C.3 1 UNL1 -0.4658 11 H 4.8248 0.1486 1.1124 H 1 UNL1 0.1407 12 H 5.5173 -0.6982 -0.2746 H 1 UNL1 0.1403 13 H 4.8013 0.9028 -0.4856 H 1 UNL1 0.1480 14 H 3.2486 -0.9165 -1.3258 H 1 UNL1 0.1358 15 H 3.2681 -1.6740 0.2701 H 1 UNL1 0.1290 16 H 2.2963 0.4516 1.2775 H 1 UNL1 0.1387 17 H 2.2611 1.1923 -0.3291 H 1 UNL1 0.1585 18 H 0.7497 -0.6413 -1.1729 H 1 UNL1 0.1636 19 H 0.7728 -1.4209 0.4182 H 1 UNL1 0.1537 20 H -1.9683 -1.5866 1.8165 H 1 UNL1 0.1487 21 H -2.9409 -2.2817 0.5282 H 1 UNL1 0.1546 22 H -1.1912 -2.3818 0.4331 H 1 UNL1 0.1434 23 H -3.2646 1.4017 -0.1425 H 1 UNL1 0.1685 24 H -4.1760 -0.0925 0.0601 H 1 UNL1 0.1466 25 H -3.3206 0.5985 1.4361 H 1 UNL1 0.1462 26 H -1.2123 -1.3074 -1.8626 H 1 UNL1 0.1415 27 H -2.9577 -1.0994 -1.8680 H 1 UNL1 0.1498 28 H -1.9139 0.3033 -2.0983 H 1 UNL1 0.1738 @BOND 1 28 10 1 2 27 10 1 3 26 10 1 4 10 7 1 5 14 2 1 6 18 4 1 7 13 1 1 8 6 5 2 9 17 3 1 10 12 1 1 11 2 1 1 12 2 3 1 13 2 15 1 14 23 9 1 15 4 3 1 16 4 19 1 17 4 5 1 18 7 9 1 19 7 5 1 20 7 8 1 21 1 11 1 22 24 9 1 23 3 16 1 24 9 25 1 25 22 8 1 26 21 8 1 27 8 20 1