@MOLECULE 2-methyl-3-hexyne 19 18 0 0 0 SMALL USER_CHARGES @ATOM 1 C 1.6725 0.0393 0.3810 C.3 1 UNL1111111 -0.0299 2 C 2.3556 1.0166 -0.5913 C.3 1 UNL1111111 -0.4411 3 C 2.0213 -1.4144 0.0159 C.3 1 UNL1111111 -0.4411 4 C 0.2460 0.2239 0.3427 C.1 1 UNL1111111 -0.1236 5 C -2.3788 0.5426 0.2530 C.3 1 UNL1111111 -0.2153 6 C -3.0368 -0.6188 -0.5048 C.3 1 UNL1111111 -0.4242 7 C -0.9556 0.3746 0.3045 C.1 1 UNL1111111 -0.1068 8 H 2.0487 0.2474 1.4212 H 1 UNL1111111 0.1487 9 H 3.4437 0.9028 -0.5665 H 1 UNL1111111 0.1446 10 H 2.0238 0.8472 -1.6219 H 1 UNL1111111 0.1500 11 H 2.1180 2.0556 -0.3372 H 1 UNL1111111 0.1471 12 H 1.5434 -2.1191 0.7056 H 1 UNL1111111 0.1471 13 H 1.6786 -1.6622 -0.9950 H 1 UNL1111111 0.1499 14 H 3.1018 -1.5830 0.0547 H 1 UNL1111111 0.1450 15 H -2.8029 0.6103 1.2826 H 1 UNL1111111 0.1552 16 H -2.6403 1.5099 -0.2376 H 1 UNL1111111 0.1553 17 H -2.8269 -1.5783 -0.0176 H 1 UNL1111111 0.1484 18 H -4.1235 -0.4961 -0.5531 H 1 UNL1111111 0.1422 19 H -2.6589 -0.6855 -1.5319 H 1 UNL1111111 0.1486 @BOND 1 10 2 1 2 19 6 1 3 13 3 1 4 2 9 1 5 2 11 1 6 2 1 1 7 18 6 1 8 6 17 1 9 6 5 1 10 16 5 1 11 3 14 1 12 3 1 1 13 3 12 1 14 5 7 1 15 5 15 1 16 7 4 3 17 4 1 1 18 1 8 1