@MOLECULE 2,4,4-trimethylhept-3-yne 30 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.1537 -0.4274 0.2925 C.3 1 UNL11111111 -0.2417 2 C 2.7635 -1.7860 -0.0805 C.3 1 UNL11111111 -0.4205 3 C 3.1070 0.7207 -0.0892 C.3 1 UNL11111111 -0.4215 4 C 0.9535 -0.2188 -0.5420 C.1 1 UNL11111111 0.1383 5 C -0.2375 0.4969 -0.0224 C.1 1 UNL11111111 -0.0825 6 C -0.1778 1.0127 1.4211 C.3 1 UNL11111111 -0.4684 7 C -0.4114 1.6894 -0.9851 C.3 1 UNL11111111 -0.4289 8 C -1.3844 -0.5354 -0.1889 C.3 1 UNL11111111 -0.2657 9 C -2.7718 0.0319 0.1325 C.3 1 UNL11111111 -0.2440 10 C -3.8447 -1.0404 -0.0652 C.3 1 UNL11111111 -0.4416 11 H 1.9774 -0.4058 1.3934 H 1 UNL11111111 0.1372 12 H 2.0829 -2.6071 0.1693 H 1 UNL11111111 0.1397 13 H 2.9594 -1.8449 -1.1593 H 1 UNL11111111 0.1556 14 H 3.7073 -1.9566 0.4457 H 1 UNL11111111 0.1375 15 H 3.2798 0.7508 -1.1736 H 1 UNL11111111 0.1561 16 H 2.7116 1.6944 0.2181 H 1 UNL11111111 0.1395 17 H 4.0812 0.5860 0.3943 H 1 UNL11111111 0.1509 18 H 0.7064 1.6370 1.5859 H 1 UNL11111111 0.1417 19 H -1.0539 1.6247 1.6640 H 1 UNL11111111 0.1491 20 H -0.1491 0.1878 2.1404 H 1 UNL11111111 0.1431 21 H -0.5169 1.3453 -2.0221 H 1 UNL11111111 0.1575 22 H -1.3028 2.2722 -0.7329 H 1 UNL11111111 0.1471 23 H 0.4499 2.3640 -0.9440 H 1 UNL11111111 0.1388 24 H -1.3730 -0.9201 -1.2300 H 1 UNL11111111 0.1536 25 H -1.1826 -1.4096 0.4586 H 1 UNL11111111 0.1335 26 H -2.8028 0.4078 1.1723 H 1 UNL11111111 0.1349 27 H -2.9868 0.9033 -0.5142 H 1 UNL11111111 0.1353 28 H -3.6726 -1.9043 0.5867 H 1 UNL11111111 0.1428 29 H -4.8421 -0.6491 0.1630 H 1 UNL11111111 0.1398 30 H -3.8614 -1.4045 -1.0986 H 1 UNL11111111 0.1427 @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 8 9 1 9 9 10 1 10 1 11 1 11 2 12 1 12 2 13 1 13 2 14 1 14 3 15 1 15 3 16 1 16 3 17 1 17 6 18 1 18 6 19 1 19 6 20 1 20 7 21 1 21 7 22 1 22 7 23 1 23 8 24 1 24 8 25 1 25 9 26 1 26 9 27 1 27 10 28 1 28 10 29 1 29 10 30 1