@MOLECULE 1-(1,1-dimethylpropylsulfanyl)-4-methyl-pentane 36 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.1882 -1.2739 0.8972 C.3 1 UNL11111111 -0.4354 2 C 3.8699 -0.4267 -0.3340 C.3 1 UNL11111111 -0.2721 3 C 2.6190 0.4609 -0.2064 C.3 1 UNL11111111 0.0885 4 C 2.6744 1.3439 1.0362 C.3 1 UNL11111111 -0.4679 5 C 2.5019 1.3349 -1.4575 C.3 1 UNL11111111 -0.4738 6 S 1.1557 -0.7018 -0.1227 S.3 1 UNL11111111 -0.1291 7 C -0.2875 0.4294 0.0348 C.3 1 UNL11111111 -0.3029 8 C -1.5632 -0.4050 0.1078 C.3 1 UNL11111111 -0.2622 9 C -2.7796 0.5303 0.1912 C.3 1 UNL11111111 -0.2881 10 C -4.0985 -0.2561 0.3137 C.3 1 UNL11111111 -0.0574 11 C -5.2357 0.7088 0.6776 C.3 1 UNL11111111 -0.4571 12 C -4.4330 -0.9819 -0.9948 C.3 1 UNL11111111 -0.4537 13 H 4.3342 -0.6564 1.7899 H 1 UNL11111111 0.1432 14 H 3.3930 -1.9941 1.1250 H 1 UNL11111111 0.1578 15 H 5.1076 -1.8512 0.7431 H 1 UNL11111111 0.1399 16 H 4.7401 0.2292 -0.5503 H 1 UNL11111111 0.1409 17 H 3.7817 -1.0864 -1.2224 H 1 UNL11111111 0.1490 18 H 3.6214 1.8990 1.0764 H 1 UNL11111111 0.1523 19 H 1.8697 2.0879 1.0571 H 1 UNL11111111 0.1462 20 H 2.6087 0.7643 1.9668 H 1 UNL11111111 0.1608 21 H 2.4270 0.7378 -2.3757 H 1 UNL11111111 0.1592 22 H 1.6299 1.9981 -1.4280 H 1 UNL11111111 0.1489 23 H 3.3828 1.9812 -1.5674 H 1 UNL11111111 0.1508 24 H -0.1734 1.0504 0.9403 H 1 UNL11111111 0.1498 25 H -0.3178 1.1149 -0.8303 H 1 UNL11111111 0.1495 26 H -1.6587 -1.0627 -0.7797 H 1 UNL11111111 0.1509 27 H -1.5484 -1.0799 0.9866 H 1 UNL11111111 0.1484 28 H -2.6703 1.2047 1.0615 H 1 UNL11111111 0.1367 29 H -2.8158 1.1864 -0.6976 H 1 UNL11111111 0.1389 30 H -3.9946 -1.0117 1.1292 H 1 UNL11111111 0.1301 31 H -5.3647 1.4811 -0.0879 H 1 UNL11111111 0.1442 32 H -6.1893 0.1790 0.7736 H 1 UNL11111111 0.1427 33 H -5.0434 1.2138 1.6298 H 1 UNL11111111 0.1411 34 H -3.6733 -1.7311 -1.2431 H 1 UNL11111111 0.1442 35 H -5.3947 -1.5011 -0.9257 H 1 UNL11111111 0.1415 36 H -4.4955 -0.2836 -1.8361 H 1 UNL11111111 0.1442 @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 8 9 1 9 9 10 1 10 10 11 1 11 10 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 7 24 1 24 7 25 1 25 8 26 1 26 8 27 1 27 9 28 1 28 9 29 1 29 10 30 1 30 11 31 1 31 11 32 1 32 11 33 1 33 12 34 1 34 12 35 1 35 12 36 1