@MOLECULE 9-hydroxy-5,7-dimethyl-1-oxo-1,6,7,8-tetrahydrocyclopenta[g]isochromene-7-carboxylic acid 34 36 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.0112 -2.5193 -0.0306 O.3 1 UNL1 -0.4077 2 O 4.8710 0.7731 0.1555 O.3 1 UNL1 -0.5611 3 O 4.3761 -1.1585 1.1273 O.2 1 UNL1 -0.5037 4 O -4.3985 -0.1143 0.0400 O.2 1 UNL1 -0.3701 5 O -3.6163 -2.1357 -0.0249 O.2 1 UNL1 -0.3776 6 C 2.7507 -0.1203 -0.3787 C.3 1 UNL1 0.0227 7 C 2.0108 1.1817 0.0367 C.3 1 UNL1 -0.2886 8 C 1.7678 -1.2765 -0.0261 C.3 1 UNL1 -0.2587 9 C 0.5606 0.7975 0.0546 C.ar 1 UNL1 0.0998 10 C 0.4364 -0.6011 0.0172 C.ar 1 UNL1 -0.2286 11 C 3.0589 -0.1153 -1.8744 C.3 1 UNL1 -0.4535 12 C -0.5465 1.6275 0.0850 C.ar 1 UNL1 -0.1085 13 C -0.8178 -1.1862 0.0073 C.ar 1 UNL1 0.3352 14 C 4.0381 -0.2726 0.3906 C.2 1 UNL1 0.6138 15 C -1.8263 1.0280 0.0701 C.ar 1 UNL1 0.1639 16 C -1.9717 -0.3737 0.0302 C.ar 1 UNL1 -0.3172 17 C -0.3974 3.1079 0.1326 C.3 1 UNL1 -0.4265 18 C -3.0269 1.8195 0.0937 C.ar 1 UNL1 -0.3793 19 C -3.2852 -0.9866 0.0104 C.ar 1 UNL1 0.6046 20 C -4.2332 1.2132 0.0792 C.ar 1 UNL1 0.1903 21 H 2.3328 1.5305 1.0409 H 1 UNL1 0.1696 22 H 2.2284 2.0124 -0.6597 H 1 UNL1 0.1689 23 H 1.8189 -2.0902 -0.7703 H 1 UNL1 0.1533 24 H 2.0223 -1.7334 0.9550 H 1 UNL1 0.1752 25 H 3.5268 -1.0496 -2.2044 H 1 UNL1 0.1554 26 H 3.7332 0.7060 -2.1514 H 1 UNL1 0.1640 27 H 2.1335 0.0120 -2.4543 H 1 UNL1 0.1663 28 H -0.8811 3.5307 1.0266 H 1 UNL1 0.1592 29 H 0.6517 3.4297 0.1632 H 1 UNL1 0.1507 30 H -0.8507 3.5864 -0.7479 H 1 UNL1 0.1570 31 H -2.9450 2.9044 0.1246 H 1 UNL1 0.1825 32 H -0.1516 -3.0171 -0.0009 H 1 UNL1 0.3265 33 H 5.7416 0.6888 0.6190 H 1 UNL1 0.3556 34 H -5.2150 1.6816 0.0949 H 1 UNL1 0.1668 @BOND 1 27 11 1 2 25 11 1 3 26 11 1 4 11 6 1 5 23 8 1 6 30 17 1 7 22 7 1 8 6 8 1 9 6 7 1 10 6 14 1 11 1 32 1 12 1 13 1 13 8 10 1 14 8 24 1 15 5 19 2 16 13 10 ar 17 13 16 ar 18 19 16 ar 19 19 4 ar 20 10 9 ar 21 16 15 ar 22 7 9 1 23 7 21 1 24 4 20 ar 25 9 12 ar 26 15 12 ar 27 15 18 ar 28 20 18 ar 29 20 34 1 30 12 17 1 31 18 31 1 32 17 29 1 33 17 28 1 34 2 14 1 35 2 33 1 36 14 3 2