@MOLECULE 2,4,4-trimethylhex-2-ene 27 26 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.2713 -0.3661 -0.0569 C.3 1 UNL11111111 -0.4329 2 C 1.8674 -0.9679 -0.1081 C.3 1 UNL11111111 -0.2755 3 C 0.7155 0.0714 0.0205 C.3 1 UNL11111111 0.1164 4 C 0.8538 0.8314 1.3504 C.3 1 UNL11111111 -0.4570 5 C 0.7812 1.0442 -1.1680 C.3 1 UNL11111111 -0.4588 6 C -0.5891 -0.6866 0.0102 C.2 1 UNL11111111 -0.2625 7 C -1.8364 -0.1990 -0.0062 C.2 1 UNL11111111 0.0596 8 C -2.2292 1.2400 -0.0270 C.3 1 UNL11111111 -0.4561 9 C -3.0055 -1.1388 -0.0168 C.3 1 UNL11111111 -0.4593 10 H 3.4330 0.3580 -0.8626 H 1 UNL11111111 0.1418 11 H 3.4569 0.1462 0.8933 H 1 UNL11111111 0.1424 12 H 4.0329 -1.1474 -0.1617 H 1 UNL11111111 0.1371 13 H 1.7413 -1.5215 -1.0586 H 1 UNL11111111 0.1354 14 H 1.7663 -1.7169 0.7007 H 1 UNL11111111 0.1343 15 H 1.7573 1.4483 1.3648 H 1 UNL11111111 0.1444 16 H -0.0002 1.4928 1.5278 H 1 UNL11111111 0.1428 17 H 0.9059 0.1355 2.1944 H 1 UNL11111111 0.1459 18 H 0.6162 0.5159 -2.1130 H 1 UNL11111111 0.1458 19 H 0.0240 1.8290 -1.0938 H 1 UNL11111111 0.1439 20 H 1.7558 1.5390 -1.2249 H 1 UNL11111111 0.1441 21 H -0.4565 -1.7710 0.0245 H 1 UNL11111111 0.1460 22 H -2.3676 1.5882 -1.0615 H 1 UNL11111111 0.1570 23 H -3.1743 1.4159 0.5042 H 1 UNL11111111 0.1509 24 H -1.4774 1.8911 0.4403 H 1 UNL11111111 0.1567 25 H -2.7090 -2.1874 -0.1448 H 1 UNL11111111 0.1501 26 H -3.5666 -1.0748 0.9260 H 1 UNL11111111 0.1543 27 H -3.7004 -0.8987 -0.8328 H 1 UNL11111111 0.1532 @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 1 10 1 10 1 11 1 11 1 12 1 12 2 13 1 13 2 14 1 14 4 15 1 15 4 16 1 16 4 17 1 17 5 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