@MOLECULE 2-methyloct-4-ene 27 26 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.4504 0.5338 0.4746 C.3 1 UNL111111111 -0.4414 2 C 3.0941 -0.1429 0.6703 C.3 1 UNL111111111 -0.2416 3 C 2.2728 -0.1050 -0.6288 C.3 1 UNL111111111 -0.2782 4 C 0.9228 -0.7091 -0.4131 C.2 1 UNL111111111 -0.1721 5 C -0.2114 -0.0743 -0.7211 C.2 1 UNL111111111 -0.1634 6 C -1.5624 -0.6836 -0.5308 C.3 1 UNL111111111 -0.2966 7 C -2.4296 0.1592 0.4294 C.3 1 UNL111111111 -0.0499 8 C -2.8139 1.5010 -0.2043 C.3 1 UNL111111111 -0.4544 9 C -3.6961 -0.6246 0.7981 C.3 1 UNL111111111 -0.4584 10 H 5.0454 0.5035 1.3940 H 1 UNL111111111 0.1407 11 H 5.0349 0.0436 -0.3118 H 1 UNL111111111 0.1421 12 H 4.3358 1.5864 0.1921 H 1 UNL111111111 0.1427 13 H 3.2341 -1.1894 0.9997 H 1 UNL111111111 0.1335 14 H 2.5322 0.3582 1.4818 H 1 UNL111111111 0.1386 15 H 2.1982 0.9388 -0.9930 H 1 UNL111111111 0.1427 16 H 2.8047 -0.6596 -1.4298 H 1 UNL111111111 0.1459 17 H 0.9302 -1.7112 0.0098 H 1 UNL111111111 0.1432 18 H -0.2162 0.9305 -1.1391 H 1 UNL111111111 0.1437 19 H -2.0723 -0.7794 -1.5113 H 1 UNL111111111 0.1479 20 H -1.4830 -1.7175 -0.1398 H 1 UNL111111111 0.1426 21 H -1.8422 0.3534 1.3592 H 1 UNL111111111 0.1335 22 H -3.3292 1.3615 -1.1603 H 1 UNL111111111 0.1439 23 H -3.4814 2.0714 0.4506 H 1 UNL111111111 0.1422 24 H -1.9310 2.1218 -0.3909 H 1 UNL111111111 0.1434 25 H -3.4523 -1.5673 1.2992 H 1 UNL111111111 0.1417 26 H -4.3343 -0.0481 1.4761 H 1 UNL111111111 0.1434 27 H -4.2918 -0.8638 -0.0890 H 1 UNL111111111 0.1444 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 2 5 5 6 1 6 6 7 1 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 5 18 1 18 6 19 1 19 6 20 1 20 7 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