@MOLECULE 2-methyl-2-octene 27 26 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.5982 0.3385 0.1563 C.3 1 UNL111111111 -0.4405 2 C 3.2678 -0.2775 0.5895 C.3 1 UNL111111111 -0.2498 3 C 2.1372 0.1260 -0.3668 C.3 1 UNL111111111 -0.2723 4 C 0.8009 -0.4671 0.0952 C.3 1 UNL111111111 -0.2659 5 C -0.3268 -0.1039 -0.8853 C.3 1 UNL111111111 -0.2673 6 C -1.6190 -0.6794 -0.4054 C.2 1 UNL111111111 -0.2310 7 C -2.6528 0.0346 0.0588 C.2 1 UNL111111111 0.0494 8 C -2.6532 1.5253 0.1536 C.3 1 UNL111111111 -0.4551 9 C -3.9084 -0.6317 0.5222 C.3 1 UNL111111111 -0.4567 10 H 4.5522 1.4331 0.1582 H 1 UNL111111111 0.1419 11 H 5.4105 0.0417 0.8288 H 1 UNL111111111 0.1395 12 H 4.8756 0.0217 -0.8551 H 1 UNL111111111 0.1420 13 H 3.3559 -1.3798 0.6256 H 1 UNL111111111 0.1335 14 H 3.0226 0.0405 1.6203 H 1 UNL111111111 0.1339 15 H 2.0646 1.2277 -0.4234 H 1 UNL111111111 0.1356 16 H 2.3709 -0.2153 -1.3922 H 1 UNL111111111 0.1363 17 H 0.8810 -1.5661 0.1857 H 1 UNL111111111 0.1375 18 H 0.5476 -0.0984 1.1068 H 1 UNL111111111 0.1391 19 H -0.3820 0.9948 -1.0066 H 1 UNL111111111 0.1405 20 H -0.0922 -0.4978 -1.8957 H 1 UNL111111111 0.1418 21 H -1.6638 -1.7660 -0.4526 H 1 UNL111111111 0.1452 22 H -2.7101 1.9828 -0.8447 H 1 UNL111111111 0.1560 23 H -3.4993 1.9121 0.7348 H 1 UNL111111111 0.1494 24 H -1.7371 1.8996 0.6331 H 1 UNL111111111 0.1573 25 H -3.8959 -1.7183 0.3673 H 1 UNL111111111 0.1505 26 H -4.0704 -0.4606 1.5960 H 1 UNL111111111 0.1552 27 H -4.7864 -0.2398 -0.0099 H 1 UNL111111111 0.1542 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 2 7 7 8 1 8 7 9 1 9 1 10 1 10 1 11 1 11 1 12 1 12 2 13 1 13 2 14 1 14 3 15 1 15 3 16 1 16 4 17 1 17 4 18 1 18 5 19 1 19 5 20 1 20 6 21 1 21 8 22 1 22 8 23 1 23 8 24 1 24 9 25 1 25 9 26 1 26 9 27 1