@MOLECULE 3,3-dimethylbutyl 3-methylbutanoate 35 34 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.8635 0.0074 -0.1153 C.3 1 UNL11111111 -0.0401 2 C -5.0342 -0.9797 -0.1622 C.3 1 UNL11111111 -0.4565 3 C -3.9512 0.8819 1.1389 C.3 1 UNL11111111 -0.4580 4 C -2.5344 -0.7699 -0.1372 C.3 1 UNL11111111 -0.3696 5 C -1.3822 0.1612 -0.3578 C.2 1 UNL11111111 0.6151 6 O -1.3872 1.2534 -0.8648 O.2 1 UNL11111111 -0.5185 7 O -0.2444 -0.4201 0.0971 O.3 1 UNL11111111 -0.4507 8 C 0.9686 0.3335 -0.0527 C.3 1 UNL11111111 -0.0044 9 C 2.0676 -0.7054 0.1531 C.3 1 UNL11111111 -0.3295 10 C 3.4866 -0.1009 0.0827 C.3 1 UNL11111111 0.1343 11 C 3.7026 0.9017 1.2263 C.3 1 UNL11111111 -0.4674 12 C 4.4978 -1.2537 0.2274 C.3 1 UNL11111111 -0.4681 13 C 3.7165 0.5968 -1.2660 C.3 1 UNL11111111 -0.4680 14 H -3.9058 0.6696 -1.0181 H 1 UNL11111111 0.1514 15 H -5.9941 -0.4506 -0.1423 H 1 UNL11111111 0.1479 16 H -5.0157 -1.5856 -1.0744 H 1 UNL11111111 0.1428 17 H -5.0222 -1.6636 0.6932 H 1 UNL11111111 0.1455 18 H -4.8942 1.4389 1.1681 H 1 UNL11111111 0.1471 19 H -3.8893 0.2884 2.0563 H 1 UNL11111111 0.1434 20 H -3.1395 1.6211 1.1618 H 1 UNL11111111 0.1555 21 H -2.4005 -1.3446 0.8032 H 1 UNL11111111 0.1791 22 H -2.5416 -1.5311 -0.9465 H 1 UNL11111111 0.1758 23 H 0.9943 0.7954 -1.0553 H 1 UNL11111111 0.1410 24 H 0.9610 1.1214 0.7186 H 1 UNL11111111 0.1314 25 H 1.9220 -1.2082 1.1296 H 1 UNL11111111 0.1542 26 H 1.9614 -1.5060 -0.6051 H 1 UNL11111111 0.1530 27 H 3.4973 0.4470 2.2010 H 1 UNL11111111 0.1456 28 H 4.7362 1.2641 1.2435 H 1 UNL11111111 0.1462 29 H 3.0546 1.7784 1.1263 H 1 UNL11111111 0.1460 30 H 4.3908 -1.9834 -0.5817 H 1 UNL11111111 0.1448 31 H 5.5279 -0.8838 0.2007 H 1 UNL11111111 0.1457 32 H 4.3654 -1.7859 1.1746 H 1 UNL11111111 0.1444 33 H 3.0955 1.4924 -1.3727 H 1 UNL11111111 0.1473 34 H 4.7595 0.9137 -1.3742 H 1 UNL11111111 0.1466 35 H 3.4865 -0.0685 -2.1047 H 1 UNL11111111 0.1465 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 2 6 5 7 1 7 7 8 1 8 8 9 1 9 9 10 1 10 10 11 1 11 10 12 1 12 10 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 8 23 1 23 8 24 1 24 9 25 1 25 9 26 1 26 11 27 1 27 11 28 1 28 11 29 1 29 12 30 1 30 12 31 1 31 12 32 1 32 13 33 1 33 13 34 1 34 13 35 1