@MOLECULE 3-methyl-1-hexyne 19 18 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.6585 -0.3413 0.7793 C.3 1 UNL11111111 -0.2715 2 C 0.8415 -0.6116 0.5148 C.3 1 UNL11111111 -0.0675 3 C -1.4040 0.1593 -0.4639 C.3 1 UNL11111111 -0.2488 4 C 1.0473 -1.6997 -0.5511 C.3 1 UNL11111111 -0.4385 5 C -2.8485 0.5217 -0.1197 C.3 1 UNL11111111 -0.4408 6 C 1.5106 0.6013 0.1230 C.1 1 UNL11111111 -0.0593 7 C 2.0724 1.6232 -0.2012 C.1 1 UNL11111111 -0.2448 8 H -0.7514 0.4040 1.5932 H 1 UNL11111111 0.1422 9 H -1.1349 -1.2656 1.1550 H 1 UNL11111111 0.1388 10 H 1.2924 -0.9813 1.4805 H 1 UNL11111111 0.1523 11 H -0.8821 1.0395 -0.8878 H 1 UNL11111111 0.1431 12 H -1.3864 -0.6125 -1.2560 H 1 UNL11111111 0.1354 13 H 0.7166 -1.3614 -1.5400 H 1 UNL11111111 0.1521 14 H 2.1056 -1.9714 -0.6374 H 1 UNL11111111 0.1483 15 H 0.4848 -2.6060 -0.3039 H 1 UNL11111111 0.1471 16 H -2.8938 1.3202 0.6294 H 1 UNL11111111 0.1434 17 H -3.3899 0.8725 -1.0055 H 1 UNL11111111 0.1420 18 H -3.3942 -0.3397 0.2806 H 1 UNL11111111 0.1416 19 H 2.5496 2.4896 -0.4756 H 1 UNL11111111 0.1848 @BOND 1 13 4 1 2 12 3 1 3 17 5 1 4 11 3 1 5 14 4 1 6 4 15 1 7 4 2 1 8 19 7 1 9 3 5 1 10 3 1 1 11 7 6 3 12 5 18 1 13 5 16 1 14 6 2 1 15 2 1 1 16 2 10 1 17 1 9 1 18 1 8 1