@MOLECULE 2,2,5-trimethyl-3-hexyne 25 24 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.3025 -0.0000 0.4264 C.3 1 UNL111111111 -0.0305 2 C 2.8992 -1.2645 -0.2158 C.3 1 UNL111111111 -0.4406 3 C 2.8996 1.2645 -0.2152 C.3 1 UNL111111111 -0.4406 4 C 0.8717 0.0001 0.2720 C.1 1 UNL111111111 -0.1180 5 C -0.3320 -0.0001 0.1371 C.1 1 UNL111111111 -0.1287 6 C -1.7665 -0.0001 -0.0242 C.3 1 UNL111111111 0.1532 7 C -2.3525 1.2611 0.6409 C.3 1 UNL111111111 -0.4526 8 C -2.1087 -0.0005 -1.5273 C.3 1 UNL111111111 -0.4529 9 C -2.3526 -1.2605 0.6424 C.3 1 UNL111111111 -0.4525 10 H 2.5591 -0.0003 1.5222 H 1 UNL111111111 0.1487 11 H 3.9872 -1.2906 -0.1010 H 1 UNL111111111 0.1442 12 H 2.4885 -2.1706 0.2438 H 1 UNL111111111 0.1472 13 H 2.6736 -1.3093 -1.2872 H 1 UNL111111111 0.1500 14 H 2.6743 1.3094 -1.2866 H 1 UNL111111111 0.1500 15 H 2.4892 2.1706 0.2443 H 1 UNL111111111 0.1471 16 H 3.9876 1.2900 -0.0999 H 1 UNL111111111 0.1442 17 H -1.9489 2.1712 0.1844 H 1 UNL111111111 0.1486 18 H -3.4417 1.2895 0.5421 H 1 UNL111111111 0.1464 19 H -2.1100 1.2934 1.7086 H 1 UNL111111111 0.1488 20 H -1.7024 -0.8879 -2.0242 H 1 UNL111111111 0.1486 21 H -3.1914 0.0080 -1.6853 H 1 UNL111111111 0.1468 22 H -1.6876 0.8779 -2.0282 H 1 UNL111111111 0.1487 23 H -2.1114 -1.2906 1.7104 H 1 UNL111111111 0.1488 24 H -3.4417 -1.2892 0.5427 H 1 UNL111111111 0.1464 25 H -1.9484 -2.1715 0.1882 H 1 UNL111111111 0.1486 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 3 5 5 6 1 6 6 7 1 7 6 8 1 8 6 9 1 9 1 10 1 10 2 11 1 11 2 12 1 12 2 13 1 13 3 14 1 14 3 15 1 15 3 16 1 16 7 17 1 17 7 18 1 18 7 19 1 19 8 20 1 20 8 21 1 21 8 22 1 22 9 23 1 23 9 24 1 24 9 25 1