@MOLECULE 2-(1,1-dimethylpropylsulfanyl)-2-methyl-pentane 36 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.8966 2.1630 0.3327 C.3 1 UNL11111111 -0.4341 2 C 2.9528 0.6563 0.5827 C.3 1 UNL11111111 -0.2717 3 C 1.9038 -0.1716 -0.1902 C.3 1 UNL11111111 0.1099 4 C 1.9208 0.1639 -1.6778 C.3 1 UNL11111111 -0.4675 5 C 2.2113 -1.6544 0.0153 C.3 1 UNL11111111 -0.4770 6 S 0.2620 0.3020 0.5771 S.3 1 UNL11111111 -0.2106 7 C -1.1033 -0.8958 0.1228 C.3 1 UNL11111111 0.1046 8 C -1.0703 -1.3006 -1.3452 C.3 1 UNL11111111 -0.4702 9 C -0.9971 -2.1373 1.0122 C.3 1 UNL11111111 -0.4724 10 C -2.4135 -0.1605 0.4703 C.3 1 UNL11111111 -0.2926 11 C -2.7286 1.0619 -0.4026 C.3 1 UNL11111111 -0.2452 12 C -4.1278 1.5934 -0.0823 C.3 1 UNL11111111 -0.4404 13 H 3.0692 2.4078 -0.7208 H 1 UNL11111111 0.1418 14 H 1.9299 2.5973 0.6153 H 1 UNL11111111 0.1590 15 H 3.6618 2.6824 0.9211 H 1 UNL11111111 0.1385 16 H 3.9613 0.2866 0.3003 H 1 UNL11111111 0.1388 17 H 2.8696 0.4587 1.6719 H 1 UNL11111111 0.1503 18 H 2.9427 0.1094 -2.0763 H 1 UNL11111111 0.1497 19 H 1.3095 -0.5252 -2.2704 H 1 UNL11111111 0.1477 20 H 1.5536 1.1790 -1.8809 H 1 UNL11111111 0.1618 21 H 2.1833 -1.9404 1.0749 H 1 UNL11111111 0.1579 22 H 1.5167 -2.3072 -0.5260 H 1 UNL11111111 0.1500 23 H 3.2161 -1.8990 -0.3550 H 1 UNL11111111 0.1513 24 H -0.2306 -1.9659 -1.5778 H 1 UNL11111111 0.1477 25 H -1.9872 -1.8421 -1.6180 H 1 UNL11111111 0.1539 26 H -1.0042 -0.4348 -2.0174 H 1 UNL11111111 0.1586 27 H -0.9931 -1.8820 2.0802 H 1 UNL11111111 0.1596 28 H -1.8459 -2.8131 0.8463 H 1 UNL11111111 0.1484 29 H -0.0888 -2.7183 0.8182 H 1 UNL11111111 0.1510 30 H -3.2486 -0.8874 0.3827 H 1 UNL11111111 0.1432 31 H -2.4123 0.1432 1.5374 H 1 UNL11111111 0.1515 32 H -1.9819 1.8636 -0.2411 H 1 UNL11111111 0.1514 33 H -2.6633 0.8015 -1.4748 H 1 UNL11111111 0.1338 34 H -4.2121 1.8862 0.9701 H 1 UNL11111111 0.1431 35 H -4.3630 2.4753 -0.6883 H 1 UNL11111111 0.1398 36 H -4.8992 0.8419 -0.2805 H 1 UNL11111111 0.1383 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 1 7 7 8 1 8 7 9 1 9 7 10 1 10 10 11 1 11 11 12 1 12 1 13 1 13 1 14 1 14 1 15 1 15 2 16 1 16 2 17 1 17 4 18 1 18 4 19 1 19 4 20 1 20 5 21 1 21 5 22 1 22 5 23 1 23 8 24 1 24 8 25 1 25 8 26 1 26 9 27 1 27 9 28 1 28 9 29 1 29 10 30 1 30 10 31 1 31 11 32 1 32 11 33 1 33 12 34 1 34 12 35 1 35 12 36 1