@MOLECULE (E)-2,5,5-trimethyloct-3-ene 33 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.9115 0.4090 -0.3843 C.3 1 UNL11111111 -0.0708 2 C -3.9415 -0.7072 -0.1587 C.3 1 UNL11111111 -0.4477 3 C -3.3856 1.7217 0.2544 C.3 1 UNL11111111 -0.4476 4 C -1.6012 0.0003 0.2257 C.2 1 UNL11111111 -0.1702 5 C -0.5033 -0.2041 -0.5043 C.2 1 UNL11111111 -0.2003 6 C 0.8434 -0.6289 0.0287 C.3 1 UNL11111111 0.0984 7 C 0.8106 -0.9366 1.5322 C.3 1 UNL11111111 -0.4593 8 C 1.2580 -1.9021 -0.7336 C.3 1 UNL11111111 -0.4578 9 C 1.8227 0.5354 -0.2661 C.3 1 UNL11111111 -0.2907 10 C 3.2699 0.2467 0.1497 C.3 1 UNL11111111 -0.2460 11 C 4.1802 1.4169 -0.2271 C.3 1 UNL11111111 -0.4414 12 H -2.7970 0.5702 -1.4850 H 1 UNL11111111 0.1340 13 H -4.8970 -0.4668 -0.6356 H 1 UNL11111111 0.1422 14 H -3.5885 -1.6569 -0.5766 H 1 UNL11111111 0.1455 15 H -4.1340 -0.8676 0.9073 H 1 UNL11111111 0.1448 16 H -3.5547 1.6080 1.3302 H 1 UNL11111111 0.1444 17 H -2.6418 2.5150 0.1194 H 1 UNL11111111 0.1458 18 H -4.3240 2.0633 -0.1941 H 1 UNL11111111 0.1417 19 H -1.6256 -0.1199 1.3057 H 1 UNL11111111 0.1474 20 H -0.5155 -0.0722 -1.5869 H 1 UNL11111111 0.1430 21 H 0.0587 -1.6995 1.7631 H 1 UNL11111111 0.1466 22 H 1.7761 -1.3165 1.8826 H 1 UNL11111111 0.1454 23 H 0.5770 -0.0421 2.1187 H 1 UNL11111111 0.1456 24 H 1.4153 -1.6994 -1.7976 H 1 UNL11111111 0.1438 25 H 2.1867 -2.3221 -0.3353 H 1 UNL11111111 0.1448 26 H 0.4851 -2.6742 -0.6514 H 1 UNL11111111 0.1473 27 H 1.7927 0.7713 -1.3469 H 1 UNL11111111 0.1381 28 H 1.4618 1.4453 0.2504 H 1 UNL11111111 0.1412 29 H 3.3258 0.0630 1.2389 H 1 UNL11111111 0.1343 30 H 3.6300 -0.6799 -0.3352 H 1 UNL11111111 0.1345 31 H 4.1787 1.5929 -1.3085 H 1 UNL11111111 0.1418 32 H 3.8602 2.3451 0.2588 H 1 UNL11111111 0.1424 33 H 5.2157 1.2265 0.0747 H 1 UNL11111111 0.1391 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 2 5 5 6 1 6 6 7 1 7 6 8 1 8 6 9 1 9 9 10 1 10 10 11 1 11 1 12 1 12 2 13 1 13 2 14 1 14 2 15 1 15 3 16 1 16 3 17 1 17 3 18 1 18 4 19 1 19 5 20 1 20 7 21 1 21 7 22 1 22 7 23 1 23 8 24 1 24 8 25 1 25 8 26 1 26 9 27 1 27 9 28 1 28 10 29 1 29 10 30 1 30 11 31 1 31 11 32 1 32 11 33 1