@MOLECULE (E,5S)-3,5-dimethyloct-3-ene 30 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.6671 0.4673 -0.2163 C.3 1 UNL11111111 -0.0819 2 H 0.6642 0.1618 -1.2908 H 1 UNL11111111 0.1362 3 C 0.7842 1.9969 -0.1398 C.3 1 UNL11111111 -0.4448 4 C 1.8545 -0.2272 0.4832 C.3 1 UNL11111111 -0.2818 5 C 3.1461 -0.1079 -0.3347 C.3 1 UNL11111111 -0.2482 6 C 4.2988 -0.8267 0.3675 C.3 1 UNL11111111 -0.4399 7 C -0.6044 0.0488 0.4593 C.2 1 UNL11111111 -0.2404 8 C -1.6951 -0.4095 -0.1671 C.2 1 UNL11111111 0.0302 9 C -1.7980 -0.5672 -1.6479 C.3 1 UNL11111111 -0.4535 10 C -2.9154 -0.8062 0.6155 C.3 1 UNL11111111 -0.2708 11 C -3.9285 0.3418 0.6291 C.3 1 UNL11111111 -0.4273 12 H 0.8433 2.3423 0.8977 H 1 UNL11111111 0.1449 13 H 1.6766 2.3551 -0.6619 H 1 UNL11111111 0.1415 14 H -0.0880 2.4774 -0.5970 H 1 UNL11111111 0.1441 15 H 2.0022 0.2003 1.4912 H 1 UNL11111111 0.1387 16 H 1.6115 -1.2959 0.6404 H 1 UNL11111111 0.1400 17 H 2.9961 -0.5313 -1.3455 H 1 UNL11111111 0.1321 18 H 3.4025 0.9575 -0.4867 H 1 UNL11111111 0.1341 19 H 4.4876 -0.4038 1.3605 H 1 UNL11111111 0.1418 20 H 4.0844 -1.8932 0.4987 H 1 UNL11111111 0.1423 21 H 5.2271 -0.7451 -0.2078 H 1 UNL11111111 0.1386 22 H -0.5849 0.1547 1.5427 H 1 UNL11111111 0.1474 23 H -1.2343 -1.4482 -1.9877 H 1 UNL11111111 0.1566 24 H -2.8346 -0.6937 -1.9861 H 1 UNL11111111 0.1509 25 H -1.3945 0.3060 -2.1798 H 1 UNL11111111 0.1550 26 H -3.3737 -1.7167 0.1807 H 1 UNL11111111 0.1425 27 H -2.6482 -1.0833 1.6550 H 1 UNL11111111 0.1420 28 H -3.5072 1.2332 1.1092 H 1 UNL11111111 0.1468 29 H -4.2207 0.6277 -0.3877 H 1 UNL11111111 0.1437 30 H -4.8372 0.0654 1.1734 H 1 UNL11111111 0.1394 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 1 7 1 7 7 8 2 8 8 9 1 9 8 10 1 10 10 11 1 11 3 12 1 12 3 13 1 13 3 14 1 14 4 15 1 15 4 16 1 16 5 17 1 17 5 18 1 18 6 19 1 19 6 20 1 20 6 21 1 21 7 22 1 22 9 23 1 23 9 24 1 24 9 25 1 25 10 26 1 26 10 27 1 27 11 28 1 28 11 29 1 29 11 30 1