@MOLECULE (E,3R)-3,5-dimethyloct-4-ene 30 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.5691 1.3650 -0.2835 C.3 1 UNL11111111 -0.4380 2 C 2.2067 1.0639 0.3388 C.3 1 UNL11111111 -0.2591 3 C 1.7497 -0.3837 0.0543 C.3 1 UNL11111111 -0.0782 4 H 1.8766 -0.5914 -1.0359 H 1 UNL11111111 0.1367 5 C 2.5906 -1.4022 0.8373 C.3 1 UNL11111111 -0.4467 6 C 0.3099 -0.5093 0.4543 C.2 1 UNL11111111 -0.2397 7 C -0.7241 -0.5372 -0.3959 C.2 1 UNL11111111 0.0240 8 C -0.5805 -0.4644 -1.8800 C.3 1 UNL11111111 -0.4545 9 C -2.1325 -0.6527 0.1135 C.3 1 UNL11111111 -0.2913 10 C -2.7965 0.7338 0.1523 C.3 1 UNL11111111 -0.2378 11 C -4.2416 0.6339 0.6384 C.3 1 UNL11111111 -0.4419 12 H 3.8725 2.3995 -0.0883 H 1 UNL11111111 0.1392 13 H 4.3494 0.7118 0.1230 H 1 UNL11111111 0.1429 14 H 3.5542 1.2240 -1.3696 H 1 UNL11111111 0.1402 15 H 2.2379 1.2402 1.4296 H 1 UNL11111111 0.1368 16 H 1.4492 1.7673 -0.0586 H 1 UNL11111111 0.1371 17 H 2.2152 -2.4198 0.6818 H 1 UNL11111111 0.1438 18 H 3.6374 -1.3812 0.5175 H 1 UNL11111111 0.1415 19 H 2.5685 -1.2009 1.9131 H 1 UNL11111111 0.1435 20 H 0.1515 -0.5659 1.5299 H 1 UNL11111111 0.1481 21 H -0.2517 -1.4320 -2.2871 H 1 UNL11111111 0.1571 22 H -1.5224 -0.2047 -2.3805 H 1 UNL11111111 0.1521 23 H 0.1608 0.2880 -2.1843 H 1 UNL11111111 0.1553 24 H -2.7206 -1.3404 -0.5254 H 1 UNL11111111 0.1455 25 H -2.1554 -1.1053 1.1245 H 1 UNL11111111 0.1443 26 H -2.2163 1.4054 0.8138 H 1 UNL11111111 0.1384 27 H -2.7629 1.1975 -0.8516 H 1 UNL11111111 0.1353 28 H -4.7193 1.6195 0.6685 H 1 UNL11111111 0.1407 29 H -4.8432 -0.0028 -0.0195 H 1 UNL11111111 0.1416 30 H -4.2969 0.2109 1.6477 H 1 UNL11111111 0.1431 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 2 7 7 8 1 8 7 9 1 9 9 10 1 10 10 11 1 11 1 12 1 12 1 13 1 13 1 14 1 14 2 15 1 15 2 16 1 16 5 17 1 17 5 18 1 18 5 19 1 19 6 20 1 20 8 21 1 21 8 22 1 22 8 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