@MOLECULE 4-oxopiperidinium 12 12 0 0 0 SMALL USER_CHARGES @ATOM 1 O 2.2720 -0.0008 0.0017 O.2 1 UNL111111111 -0.4921 2 N -1.7804 0.0002 0.0015 N.4 1 UNL111111111 -0.4154 3 C 1.0580 0.0000 -0.0003 C.2 1 UNL111111111 0.4902 4 C 0.2697 -1.2345 -0.0014 C.3 1 UNL111111111 -0.3686 5 C 0.2706 1.2351 -0.0016 C.3 1 UNL111111111 -0.3684 6 C -1.0845 -1.2025 -0.0003 C.3 1 UNL111111111 0.0743 7 C -1.0836 1.2026 -0.0001 C.3 1 UNL111111111 0.0743 8 H 0.8294 -2.1652 -0.0031 H 1 UNL111111111 0.1876 9 H 0.8303 2.1658 -0.0034 H 1 UNL111111111 0.1876 10 H -1.7033 -2.1060 -0.0005 H 1 UNL111111111 0.1598 11 H -1.7023 2.1061 -0.0001 H 1 UNL111111111 0.1597 12 H -2.7868 0.0007 0.0039 H 1 UNL111111111 0.3111 @BOND 1 9 5 1 2 8 4 1 3 5 3 1 4 5 7 1 5 4 3 1 6 4 6 1 7 10 6 1 8 3 1 2 9 6 2 1 10 7 11 1 11 7 2 1 12 2 12 1