@MOLECULE chromone-3-carboxylic acid 20 21 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.3985 -1.5509 -0.0190 O.2 1 UNL1 -0.3746 2 O -1.6918 -2.1203 -0.1105 O.2 1 UNL1 -0.3400 3 O -3.5155 -0.2600 0.2322 O.3 1 UNL1 -0.5044 4 O -2.9853 1.8738 -0.1481 O.2 1 UNL1 -0.5183 5 C 1.1275 0.7404 0.0039 C.ar 1 UNL1 -0.2462 6 C 1.3819 -0.6413 0.0002 C.ar 1 UNL1 0.3334 7 C -0.2355 1.1705 0.0010 C.ar 1 UNL1 0.1029 8 C -1.2395 0.2530 -0.0114 C.ar 1 UNL1 -0.3507 9 C 2.2263 1.6236 0.0158 C.ar 1 UNL1 -0.0345 10 C 2.6925 -1.1571 0.0142 C.ar 1 UNL1 -0.2599 11 C -0.9694 -1.1730 -0.0475 C.ar 1 UNL1 0.5992 12 C 3.5140 1.1269 0.0257 C.ar 1 UNL1 -0.2337 13 C 3.7449 -0.2640 0.0257 C.ar 1 UNL1 -0.0344 14 C -2.6257 0.7304 0.0037 C.2 1 UNL1 0.6618 15 H -0.4540 2.2488 0.0127 H 1 UNL1 0.1840 16 H 2.0457 2.6997 0.0167 H 1 UNL1 0.1570 17 H 2.8455 -2.2351 0.0145 H 1 UNL1 0.1861 18 H 4.3657 1.8043 0.0340 H 1 UNL1 0.1619 19 H 4.7734 -0.6312 0.0344 H 1 UNL1 0.1568 20 H -4.4565 0.0596 0.2343 H 1 UNL1 0.3534 @BOND 1 4 14 2 2 2 11 2 3 11 1 ar 4 11 8 ar 5 1 6 ar 6 8 7 ar 7 8 14 1 8 6 5 ar 9 6 10 ar 10 7 5 ar 11 7 15 1 12 14 3 1 13 5 9 ar 14 10 17 1 15 10 13 ar 16 9 16 1 17 9 12 ar 18 13 12 ar 19 13 19 1 20 12 18 1 21 3 20 1