@MOLECULE (3z)-2-methyl-3-octene 27 26 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.2512 -0.6750 -0.1111 C.3 1 UNL111111111 -0.4397 2 C 2.9690 -0.2956 0.6303 C.3 1 UNL111111111 -0.2504 3 C 1.9529 0.3355 -0.3301 C.3 1 UNL111111111 -0.2628 4 C 0.6877 0.7767 0.4234 C.3 1 UNL111111111 -0.2815 5 C -0.3588 1.2155 -0.5481 C.2 1 UNL111111111 -0.1678 6 C -1.6024 0.7342 -0.6264 C.2 1 UNL111111111 -0.1786 7 C -2.1857 -0.3341 0.2502 C.3 1 UNL111111111 -0.0673 8 C -3.5359 0.1364 0.8097 C.3 1 UNL111111111 -0.4499 9 C -2.3587 -1.6198 -0.5717 C.3 1 UNL111111111 -0.4466 10 H 4.7415 0.2060 -0.5398 H 1 UNL111111111 0.1419 11 H 4.9701 -1.1584 0.5591 H 1 UNL111111111 0.1395 12 H 4.0480 -1.3712 -0.9326 H 1 UNL111111111 0.1431 13 H 2.5306 -1.1923 1.1083 H 1 UNL111111111 0.1339 14 H 3.2007 0.4051 1.4543 H 1 UNL111111111 0.1335 15 H 2.4052 1.2002 -0.8498 H 1 UNL111111111 0.1370 16 H 1.6836 -0.3887 -1.1221 H 1 UNL111111111 0.1406 17 H 0.3291 -0.0492 1.0695 H 1 UNL111111111 0.1442 18 H 0.9278 1.6092 1.1167 H 1 UNL111111111 0.1460 19 H -0.0243 1.9962 -1.2335 H 1 UNL111111111 0.1413 20 H -2.2953 1.1113 -1.3796 H 1 UNL111111111 0.1427 21 H -1.5065 -0.5532 1.1120 H 1 UNL111111111 0.1353 22 H -3.4211 1.0611 1.3862 H 1 UNL111111111 0.1450 23 H -4.2582 0.3327 0.0104 H 1 UNL111111111 0.1446 24 H -3.9732 -0.6178 1.4719 H 1 UNL111111111 0.1427 25 H -1.3993 -1.9536 -0.9830 H 1 UNL111111111 0.1464 26 H -2.7600 -2.4316 0.0432 H 1 UNL111111111 0.1422 27 H -3.0436 -1.4693 -1.4127 H 1 UNL111111111 0.1449 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 2 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 4 18 1 18 5 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