@MOLECULE tetrahydro-2h-pyran-4-one 15 15 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.3431 1.3247 -0.0322 C.3 1 UNL111111111 -0.4291 2 C 1.1359 1.1095 -0.3501 C.3 1 UNL111111111 -0.0227 3 O 1.6284 0.0536 0.4464 O.3 1 UNL111111111 -0.3890 4 C 1.1202 -1.2224 0.1049 C.3 1 UNL111111111 -0.0251 5 C -0.3120 -1.2195 -0.4323 C.3 1 UNL111111111 -0.4341 6 C -1.0804 0.0133 -0.0276 C.2 1 UNL111111111 0.5101 7 O -2.2493 -0.0486 0.2591 O.2 1 UNL111111111 -0.4650 8 H 1.7643 1.9629 -0.0320 H 1 UNL111111111 0.1447 9 H -0.4594 1.8013 0.9666 H 1 UNL111111111 0.1884 10 H 1.8225 -1.6704 -0.6222 H 1 UNL111111111 0.1234 11 H -0.3189 -1.2837 -1.5406 H 1 UNL111111111 0.1732 12 H 1.3133 0.9061 -1.4195 H 1 UNL111111111 0.1199 13 H -0.8167 2.0291 -0.7432 H 1 UNL111111111 0.1781 14 H 1.1984 -1.7639 1.0689 H 1 UNL111111111 0.1448 15 H -0.8518 -2.1283 -0.0900 H 1 UNL111111111 0.1824 @BOND 1 11 5 1 2 12 2 1 3 13 1 1 4 10 4 1 5 5 15 1 6 5 6 1 7 5 4 1 8 2 1 1 9 2 8 1 10 2 3 1 11 1 6 1 12 1 9 1 13 6 7 2 14 4 3 1 15 4 14 1