@MOLECULE a-angelic lactone 13 13 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.4239 0.6132 0.0015 C.3 1 UNL11111111 -0.4590 2 C -1.1060 -0.0325 -0.0017 C.2 1 UNL11111111 0.2594 3 C -0.6789 -1.3093 -0.0002 C.2 1 UNL11111111 -0.3339 4 C 0.8216 -1.3173 0.0005 C.3 1 UNL11111111 -0.3481 5 C 1.1499 0.1595 0.0000 C.2 1 UNL11111111 0.5844 6 O -0.0559 0.8819 -0.0020 O.3 1 UNL11111111 -0.3762 7 O 2.1833 0.7518 0.0010 O.2 1 UNL11111111 -0.4131 8 H -2.6041 1.1550 0.9472 H 1 UNL11111111 0.1807 9 H -2.5091 1.3638 -0.8049 H 1 UNL11111111 0.1821 10 H -3.2426 -0.1102 -0.1293 H 1 UNL11111111 0.1704 11 H -1.2538 -2.2090 -0.0008 H 1 UNL11111111 0.1761 12 H 1.2498 -1.8263 0.8866 H 1 UNL11111111 0.1886 13 H 1.2506 -1.8270 -0.8847 H 1 UNL11111111 0.1886 @BOND 1 13 4 1 2 9 1 1 3 10 1 1 4 6 2 1 5 6 5 1 6 2 3 2 7 2 1 1 8 11 3 1 9 3 4 1 10 5 4 1 11 5 7 2 12 4 12 1 13 1 8 1