@MOLECULE 3,3-dimethylhex-2-yne 24 23 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.8668 0.8913 -0.0385 C.3 1 UNL11111111 -0.5976 2 C 1.5939 0.6335 0.6293 C.1 1 UNL11111111 0.1452 3 C 0.5479 -0.2259 0.0212 C.1 1 UNL11111111 -0.0748 4 C 0.7314 -0.6220 -1.4490 C.3 1 UNL11111111 -0.4656 5 C 0.5783 -1.4905 0.9075 C.3 1 UNL11111111 -0.4331 6 C -0.7741 0.5612 0.2106 C.3 1 UNL11111111 -0.2664 7 C -2.0303 -0.2324 -0.1676 C.3 1 UNL11111111 -0.2482 8 C -3.2867 0.6077 0.0688 C.3 1 UNL11111111 -0.4406 9 H 3.6913 0.6675 0.6631 H 1 UNL11111111 0.1848 10 H 3.0748 0.3727 -0.9797 H 1 UNL11111111 0.1477 11 H 2.9430 1.9784 -0.2295 H 1 UNL11111111 0.1896 12 H 1.6666 -1.1692 -1.6054 H 1 UNL11111111 0.1411 13 H -0.0797 -1.2740 -1.7921 H 1 UNL11111111 0.1479 14 H 0.7397 0.2584 -2.0993 H 1 UNL11111111 0.1426 15 H 0.3983 -1.2395 1.9608 H 1 UNL11111111 0.1575 16 H -0.1958 -2.1999 0.5974 H 1 UNL11111111 0.1504 17 H 1.5425 -2.0044 0.8419 H 1 UNL11111111 0.1403 18 H -0.8461 0.8878 1.2686 H 1 UNL11111111 0.1531 19 H -0.7292 1.4906 -0.3874 H 1 UNL11111111 0.1334 20 H -1.9830 -0.5452 -1.2274 H 1 UNL11111111 0.1338 21 H -2.0854 -1.1647 0.4250 H 1 UNL11111111 0.1345 22 H -3.3624 0.9289 1.1136 H 1 UNL11111111 0.1427 23 H -3.2888 1.5084 -0.5549 H 1 UNL11111111 0.1422 24 H -4.1929 0.0400 -0.1685 H 1 UNL11111111 0.1395 @BOND 1 1 2 1 2 2 3 3 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 1 7 7 8 1 8 1 9 1 9 1 10 1 10 1 11 1 11 4 12 1 12 4 13 1 13 4 14 1 14 5 15 1 15 5 16 1 16 5 17 1 17 6 18 1 18 6 19 1 19 7 20 1 20 7 21 1 21 8 22 1 22 8 23 1 23 8 24 1