@MOLECULE 2,3-dimethyl-1,3-butadiene 16 15 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.4447 1.2322 -0.0003 C.3 1 UNL1111111 -0.4549 2 C -0.7424 -0.0899 -0.0000 C.2 1 UNL1111111 0.0454 3 C -1.4671 -1.2177 0.0004 C.2 1 UNL1111111 -0.3530 4 C 0.7296 -0.0981 -0.0000 C.2 1 UNL1111111 0.0469 5 C 1.4766 1.2011 0.0004 C.3 1 UNL1111111 -0.4588 6 C 1.4385 -1.2368 -0.0003 C.2 1 UNL1111111 -0.3575 7 H -2.5381 1.1255 0.0004 H 1 UNL1111111 0.1538 8 H -1.1852 1.8225 -0.8906 H 1 UNL1111111 0.1575 9 H -1.1842 1.8237 0.8888 H 1 UNL1111111 0.1575 10 H -1.0470 -2.2096 0.0002 H 1 UNL1111111 0.1490 11 H -2.5447 -1.2318 0.0007 H 1 UNL1111111 0.1471 12 H 2.1270 1.2773 0.8843 H 1 UNL1111111 0.1583 13 H 2.1234 1.2794 -0.8861 H 1 UNL1111111 0.1583 14 H 0.8397 2.0911 0.0027 H 1 UNL1111111 0.1535 15 H 1.0060 -2.2230 -0.0006 H 1 UNL1111111 0.1493 16 H 2.5160 -1.2622 -0.0004 H 1 UNL1111111 0.1474 @BOND 1 8 1 1 2 13 5 1 3 15 6 1 4 16 6 1 5 1 2 1 6 1 7 1 7 1 9 1 8 6 4 2 9 2 4 1 10 2 3 2 11 4 5 1 12 10 3 1 13 5 14 1 14 5 12 1 15 3 11 1