@MOLECULE 2-methyl-1-[(2-methyl-2-propanyl)sulfinyl]propane 28 27 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 2.3927 0.0688 -0.1442 C.3 1 UNL1 -0.0373 2 C 2.8926 0.3765 1.2728 C.3 1 UNL1 -0.4570 3 C 3.3755 -0.8885 -0.8380 C.3 1 UNL1 -0.4568 4 C 0.9987 -0.5704 -0.1243 C.3 1 UNL1 -0.5027 5 S -0.2933 0.6776 0.2824 S.O 1 UNL1 0.9957 6 O -0.3111 1.6279 -0.8633 O.2 1 UNL1 -0.7947 7 C -1.8515 -0.3588 0.0717 C.3 1 UNL1 -0.0715 8 C -1.8134 -1.5335 1.0449 C.3 1 UNL1 -0.4640 9 C -3.0173 0.5688 0.4140 C.3 1 UNL1 -0.4541 10 C -1.9897 -0.8471 -1.3654 C.3 1 UNL1 -0.4653 11 H 2.3611 1.0222 -0.7345 H 1 UNL1 0.1542 12 H 2.9026 -0.5188 1.9023 H 1 UNL1 0.1394 13 H 3.9149 0.7713 1.2489 H 1 UNL1 0.1429 14 H 2.2736 1.1301 1.7717 H 1 UNL1 0.1488 15 H 3.4346 -1.8510 -0.3210 H 1 UNL1 0.1407 16 H 3.0780 -1.0812 -1.8745 H 1 UNL1 0.1454 17 H 4.3858 -0.4658 -0.8644 H 1 UNL1 0.1443 18 H 0.7863 -1.0228 -1.1088 H 1 UNL1 0.1633 19 H 0.9573 -1.3846 0.6153 H 1 UNL1 0.1566 20 H -1.6468 -1.2207 2.0828 H 1 UNL1 0.1482 21 H -2.7746 -2.0683 1.0346 H 1 UNL1 0.1553 22 H -1.0505 -2.2764 0.7859 H 1 UNL1 0.1437 23 H -3.0517 1.4468 -0.2501 H 1 UNL1 0.1670 24 H -3.9782 0.0519 0.2966 H 1 UNL1 0.1460 25 H -2.9793 0.9368 1.4457 H 1 UNL1 0.1458 26 H -1.2469 -1.6048 -1.6354 H 1 UNL1 0.1410 27 H -2.9761 -1.2971 -1.5378 H 1 UNL1 0.1497 28 H -1.8921 -0.0171 -2.0858 H 1 UNL1 0.1753 @BOND 1 28 10 1 2 16 3 1 3 26 10 1 4 27 10 1 5 10 7 1 6 18 4 1 7 17 3 1 8 6 5 2 9 3 15 1 10 3 1 1 11 11 1 1 12 23 9 1 13 1 4 1 14 1 2 1 15 4 5 1 16 4 19 1 17 7 5 1 18 7 9 1 19 7 8 1 20 24 9 1 21 9 25 1 22 22 8 1 23 21 8 1 24 8 20 1 25 13 2 1 26 2 14 1 27 2 12 1