@MOLECULE 2-[(R)-1,1-dimethylpropylsulfinyl]-2-methyl-pentane 37 36 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -3.0537 1.9671 -0.2885 C.3 1 UNL1 -0.4463 2 C -3.0159 0.4629 -0.5589 C.3 1 UNL1 -0.2607 3 C -1.9048 -0.3043 0.1934 C.3 1 UNL1 -0.0644 4 C -1.8955 0.0700 1.6687 C.3 1 UNL1 -0.4641 5 C -2.1669 -1.7996 0.0247 C.3 1 UNL1 -0.4710 6 S -0.2909 0.2014 -0.6503 S.O 1 UNL1 0.9240 7 O 0.0220 1.5156 -0.0112 O.2 1 UNL1 -0.8027 8 C 1.0885 -0.9633 -0.1143 C.3 1 UNL1 -0.0753 9 C 1.0532 -1.3291 1.3615 C.3 1 UNL1 -0.4635 10 C 0.9679 -2.2263 -0.9749 C.3 1 UNL1 -0.4664 11 C 2.4277 -0.2848 -0.4747 C.3 1 UNL1 -0.2772 12 C 2.8497 0.8750 0.4379 C.3 1 UNL1 -0.2620 13 C 4.2419 1.3792 0.0523 C.3 1 UNL1 -0.4411 14 H -2.0735 2.4478 -0.4363 H 1 UNL1 0.1822 15 H -3.7624 2.4690 -0.9547 H 1 UNL1 0.1338 16 H -3.3527 2.1870 0.7418 H 1 UNL1 0.1424 17 H -3.9973 0.0308 -0.2696 H 1 UNL1 0.1342 18 H -2.9386 0.2845 -1.6500 H 1 UNL1 0.1360 19 H -2.9123 0.0818 2.0812 H 1 UNL1 0.1478 20 H -1.3120 -0.6220 2.2834 H 1 UNL1 0.1422 21 H -1.4774 1.0795 1.8316 H 1 UNL1 0.1817 22 H -2.1607 -2.1161 -1.0249 H 1 UNL1 0.1470 23 H -1.4518 -2.4208 0.5771 H 1 UNL1 0.1485 24 H -3.1583 -2.0611 0.4233 H 1 UNL1 0.1539 25 H 0.2273 -2.0026 1.6150 H 1 UNL1 0.1418 26 H 1.9786 -1.8428 1.6587 H 1 UNL1 0.1530 27 H 0.9720 -0.4398 2.0050 H 1 UNL1 0.1650 28 H 0.9866 -2.0065 -2.0497 H 1 UNL1 0.1514 29 H 1.8123 -2.9029 -0.7803 H 1 UNL1 0.1522 30 H 0.0630 -2.8062 -0.7686 H 1 UNL1 0.1460 31 H 3.2251 -1.0573 -0.4444 H 1 UNL1 0.1356 32 H 2.4125 0.0690 -1.5251 H 1 UNL1 0.1420 33 H 2.1193 1.7122 0.3731 H 1 UNL1 0.1846 34 H 2.8443 0.5626 1.4968 H 1 UNL1 0.1319 35 H 4.5460 2.2120 0.6968 H 1 UNL1 0.1429 36 H 4.9984 0.5942 0.1460 H 1 UNL1 0.1342 37 H 4.2613 1.7432 -0.9806 H 1 UNL1 0.1404 @BOND 1 28 10 1 2 18 2 1 3 32 11 1 4 22 5 1 5 37 13 1 6 10 29 1 7 10 30 1 8 10 8 1 9 15 1 1 10 6 8 1 11 6 7 2 12 6 3 1 13 2 1 1 14 2 17 1 15 2 3 1 16 11 31 1 17 11 8 1 18 11 12 1 19 14 1 1 20 1 16 1 21 8 9 1 22 5 3 1 23 5 24 1 24 5 23 1 25 13 36 1 26 13 12 1 27 13 35 1 28 3 4 1 29 33 12 1 30 12 34 1 31 9 25 1 32 9 26 1 33 9 27 1 34 4 21 1 35 4 19 1 36 4 20 1