@MOLECULE (e)-3-penten-2-one 14 13 0 0 0 SMALL USER_CHARGES @ATOM 1 O -1.2257 1.2583 -0.0002 O.2 1 UNL111111111 -0.3898 2 C -1.0316 0.0640 -0.0002 C.2 1 UNL111111111 0.5081 3 C 0.3273 -0.5060 -0.0002 C.2 1 UNL111111111 -0.4976 4 C 1.4017 0.2958 0.0007 C.2 1 UNL111111111 0.1112 5 C 2.7949 -0.2190 -0.0002 C.3 1 UNL111111111 -0.8444 6 C -2.1764 -0.9081 0.0002 C.3 1 UNL111111111 -0.9473 7 H 0.4014 -1.5882 -0.0009 H 1 UNL111111111 0.2644 8 H 1.2896 1.3866 0.0016 H 1 UNL111111111 0.1613 9 H 2.9930 -0.8518 0.8793 H 1 UNL111111111 0.2796 10 H 2.9953 -0.8406 -0.8871 H 1 UNL111111111 0.2551 11 H 3.5439 0.5847 0.0059 H 1 UNL111111111 0.2495 12 H -2.1468 -1.5610 -0.8814 H 1 UNL111111111 0.2791 13 H -2.1569 -1.5473 0.8921 H 1 UNL111111111 0.3043 14 H -3.1435 -0.3827 -0.0088 H 1 UNL111111111 0.2665 @BOND 1 10 5 1 2 12 6 1 3 14 6 1 4 7 3 1 5 1 2 2 6 2 3 1 7 2 6 1 8 3 4 2 9 5 4 1 10 5 11 1 11 5 9 1 12 6 13 1 13 4 8 1