@MOLECULE 2-methylbut-2-yne 14 13 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.2440 -0.0019 0.0003 C.3 1 UNL111 -0.3932 2 C 0.8291 -0.0029 0.0001 C.1 1 UNL111 -0.1586 3 C -0.4702 -0.0003 0.0002 C.1 1 UNL111 0.0132 4 C -1.2665 -1.2683 -0.0001 C.3 1 UNL111 -0.4329 5 C -1.2608 1.2714 -0.0000 C.3 1 UNL111 -0.4328 6 H 2.6531 1.0193 -0.1395 H 1 UNL111 0.1658 7 H 2.6614 -0.3857 0.9505 H 1 UNL111 0.1639 8 H 2.6615 -0.6225 -0.8156 H 1 UNL111 0.1645 9 H -1.8926 -1.3390 0.8996 H 1 UNL111 0.1522 10 H -1.9306 -1.3157 -0.8736 H 1 UNL111 0.1519 11 H -0.6267 -2.1603 -0.0260 H 1 UNL111 0.1512 12 H -1.8852 1.3457 -0.9008 H 1 UNL111 0.1522 13 H -1.9253 1.3219 0.8729 H 1 UNL111 0.1520 14 H -0.6164 2.1600 0.0264 H 1 UNL111 0.1507 @BOND 1 1 2 1 2 2 3 3 3 3 4 1 4 3 5 1 5 1 6 1 6 1 7 1 7 1 8 1 8 4 9 1 9 4 10 1 10 4 11 1 11 5 12 1 12 5 13 1 13 5 14 1