@MOLECULE 2,2,4-trimethylpent-2-yne 24 23 0 0 0 SMALL USER_CHARGES @ATOM 1 C 1.4671 0.0715 0.4252 C.3 1 UNL11111111 -0.2115 2 C 1.7260 -1.3353 -0.1251 C.3 1 UNL11111111 -0.4493 3 C 2.5739 1.0198 -0.0784 C.3 1 UNL11111111 -0.4204 4 C 0.1835 0.7143 0.1550 C.1 1 UNL11111111 0.0901 5 C -1.1263 0.0610 0.0029 C.1 1 UNL11111111 -0.0317 6 C -2.1740 1.0519 0.5552 C.3 1 UNL11111111 -0.4334 7 C -1.2946 -0.0663 -1.5292 C.3 1 UNL11111111 -0.4365 8 C -1.3475 -1.2999 0.6777 C.3 1 UNL11111111 -0.4673 9 H 1.5299 0.0336 1.5548 H 1 UNL11111111 0.1707 10 H 2.7758 -1.6229 0.0095 H 1 UNL11111111 0.1479 11 H 1.1196 -2.0934 0.3796 H 1 UNL11111111 0.1428 12 H 1.5110 -1.3868 -1.1976 H 1 UNL11111111 0.1437 13 H 2.3886 2.0472 0.2611 H 1 UNL11111111 0.1548 14 H 3.5600 0.7137 0.2797 H 1 UNL11111111 0.1348 15 H 2.6015 1.0442 -1.1728 H 1 UNL11111111 0.1426 16 H -2.0163 2.0557 0.1400 H 1 UNL11111111 0.1567 17 H -3.1912 0.7384 0.3067 H 1 UNL11111111 0.1384 18 H -2.0998 1.1367 1.6436 H 1 UNL11111111 0.1404 19 H -0.5658 -0.7585 -1.9609 H 1 UNL11111111 0.1418 20 H -2.2963 -0.4377 -1.7708 H 1 UNL11111111 0.1537 21 H -1.1730 0.9050 -2.0254 H 1 UNL11111111 0.1567 22 H -0.9937 -1.2897 1.7127 H 1 UNL11111111 0.1410 23 H -2.4114 -1.5617 0.6982 H 1 UNL11111111 0.1493 24 H -0.8339 -2.1085 0.1493 H 1 UNL11111111 0.1445 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 3 5 5 6 1 6 5 7 1 7 5 8 1 8 1 9 1 9 2 10 1 10 2 11 1 11 2 12 1 12 3 13 1 13 3 14 1 14 3 15 1 15 6 16 1 16 6 17 1 17 6 18 1 18 7 19 1 19 7 20 1 20 7 21 1 21 8 22 1 22 8 23 1 23 8 24 1