@MOLECULE 4-methyl-1-[(1S)-1-methylbutoxy]pentane 36 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.7880 0.2347 -0.3429 C.3 1 UNL11111111 -0.0546 2 C -5.1080 -0.2331 0.2852 C.3 1 UNL11111111 -0.4585 3 C -3.7364 1.7666 -0.3624 C.3 1 UNL11111111 -0.4537 4 C -2.6033 -0.3493 0.4515 C.3 1 UNL11111111 -0.2869 5 C -1.2799 -0.1593 -0.2926 C.3 1 UNL11111111 -0.2918 6 C -0.1390 -0.8488 0.4632 C.3 1 UNL11111111 -0.0394 7 O 1.0245 -0.4547 -0.2503 O.3 1 UNL11111111 -0.4208 8 C 2.2315 -1.0253 0.2373 C.3 1 UNL11111111 0.1362 9 H 2.2161 -1.0601 1.3476 H 1 UNL11111111 0.1101 10 C 2.4039 -2.4266 -0.3556 C.3 1 UNL11111111 -0.4976 11 C 3.3162 -0.0621 -0.2732 C.3 1 UNL11111111 -0.3029 12 C 3.2412 1.2788 0.4665 C.3 1 UNL11111111 -0.2455 13 C 4.3338 2.2319 -0.0168 C.3 1 UNL11111111 -0.4395 14 H -3.7375 -0.1414 -1.3931 H 1 UNL11111111 0.1304 15 H -5.9696 0.1593 -0.2652 H 1 UNL11111111 0.1424 16 H -5.1884 -1.3250 0.2843 H 1 UNL11111111 0.1407 17 H -5.1992 0.1057 1.3224 H 1 UNL11111111 0.1437 18 H -3.7826 2.1813 0.6499 H 1 UNL11111111 0.1434 19 H -2.8123 2.1304 -0.8254 H 1 UNL11111111 0.1459 20 H -4.5742 2.1847 -0.9300 H 1 UNL11111111 0.1407 21 H -2.5520 0.1239 1.4495 H 1 UNL11111111 0.1391 22 H -2.7791 -1.4263 0.6348 H 1 UNL11111111 0.1355 23 H -1.3412 -0.5610 -1.3216 H 1 UNL11111111 0.1494 24 H -1.0443 0.9168 -0.4115 H 1 UNL11111111 0.1544 25 H -0.0626 -0.4991 1.5071 H 1 UNL11111111 0.1119 26 H -0.2385 -1.9468 0.4471 H 1 UNL11111111 0.1131 27 H 3.4005 -2.8292 -0.1533 H 1 UNL11111111 0.1484 28 H 1.6691 -3.1282 0.0509 H 1 UNL11111111 0.1470 29 H 2.2614 -2.4045 -1.4436 H 1 UNL11111111 0.1617 30 H 4.3137 -0.5182 -0.1505 H 1 UNL11111111 0.1403 31 H 3.1772 0.1005 -1.3603 H 1 UNL11111111 0.1552 32 H 2.2413 1.7307 0.3054 H 1 UNL11111111 0.1497 33 H 3.3301 1.1213 1.5572 H 1 UNL11111111 0.1288 34 H 4.2427 2.4310 -1.0907 H 1 UNL11111111 0.1437 35 H 4.2764 3.1951 0.5019 H 1 UNL11111111 0.1398 36 H 5.3331 1.8198 0.1596 H 1 UNL11111111 0.1397 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 7 8 1 8 8 9 1 9 8 10 1 10 8 11 1 11 11 12 1 12 12 13 1 13 1 14 1 14 2 15 1 15 2 16 1 16 2 17 1 17 3 18 1 18 3 19 1 19 3 20 1 20 4 21 1 21 4 22 1 22 5 23 1 23 5 24 1 24 6 25 1 25 6 26 1 26 10 27 1 27 10 28 1 28 10 29 1 29 11 30 1 30 11 31 1 31 12 32 1 32 12 33 1 33 13 34 1 34 13 35 1 35 13 36 1