@MOLECULE (3z)-3-hexene-2,5-dione 16 15 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.2955 1.3737 0.1495 O.2 1 UNL1111111111 -0.4473 2 O 1.7842 -0.9192 0.9916 O.2 1 UNL1111111111 -0.4376 3 C -0.6768 -0.5191 -1.1046 C.2 1 UNL1111111111 -0.2465 4 C 0.6419 -0.6885 -1.0474 C.2 1 UNL1111111111 -0.2096 5 C -1.4487 0.1949 -0.0542 C.2 1 UNL1111111111 0.4939 6 C 1.4861 -0.1940 0.0762 C.2 1 UNL1111111111 0.4877 7 C -2.4199 -0.6376 0.7211 C.3 1 UNL1111111111 -0.5463 8 C 1.9337 1.2269 -0.0210 C.3 1 UNL1111111111 -0.5474 9 H -1.2814 -0.8915 -1.9324 H 1 UNL1111111111 0.1732 10 H 1.2017 -1.2256 -1.8158 H 1 UNL1111111111 0.1745 11 H -2.9471 -0.0388 1.4804 H 1 UNL1111111111 0.1846 12 H -1.9068 -1.4558 1.2506 H 1 UNL1111111111 0.1859 13 H -3.1799 -1.0930 0.0729 H 1 UNL1111111111 0.1755 14 H 1.0705 1.9103 0.0953 H 1 UNL1111111111 0.2033 15 H 2.6565 1.4819 0.7681 H 1 UNL1111111111 0.1822 16 H 2.3927 1.4564 -0.9905 H 1 UNL1111111111 0.1739 @BOND 1 1 5 2 2 2 6 2 3 3 4 2 4 3 5 1 5 3 9 1 6 4 6 1 7 4 10 1 8 5 7 1 9 6 8 1 10 7 11 1 11 7 12 1 12 7 13 1 13 8 14 1 14 8 15 1 15 8 16 1