@MOLECULE isoscutellarein 31 33 0 0 0 SMALL USER_CHARGES @ATOM 1 O 0.1008 -0.4913 0.0494 O.3 1 UNL11111111 0.1257 2 O -4.0454 1.9721 -0.0877 O.3 1 UNL11111111 -0.2769 3 O -1.2313 -2.7513 0.1375 O.3 1 UNL11111111 -0.3257 4 O -3.9711 -2.7623 0.1485 O.3 1 UNL11111111 -0.3419 5 O -1.6981 3.1679 -0.1637 O.2 1 UNL11111111 -0.3189 6 O 6.2172 -0.7579 -0.0223 O.3 1 UNL11111111 -0.3421 7 C -1.9317 0.8380 -0.0349 C.ar 1 UNL11111111 -0.0370 8 C -1.2603 -0.3895 0.0318 C.ar 1 UNL11111111 0.0943 9 C 0.8336 0.6658 -0.0383 C.2 1 UNL11111111 -0.1332 10 C -1.1567 2.0719 -0.1112 C.2 1 UNL11111111 0.0778 11 C 2.2493 0.3136 -0.0229 C.ar 1 UNL11111111 0.0967 12 C -3.3426 0.8394 -0.0300 C.ar 1 UNL11111111 0.0362 13 C -1.9577 -1.5995 0.0909 C.ar 1 UNL11111111 -0.1065 14 C 0.2858 1.8950 -0.1235 C.2 1 UNL11111111 -0.2374 15 C -3.3649 -1.5522 0.0910 C.ar 1 UNL11111111 0.0306 16 C -4.0716 -0.3558 0.0354 C.ar 1 UNL11111111 -0.3498 17 C 3.1771 1.1816 0.5632 C.ar 1 UNL11111111 -0.0763 18 C 2.6717 -0.9008 -0.5876 C.ar 1 UNL11111111 -0.1576 19 C 4.5279 0.8545 0.5822 C.ar 1 UNL11111111 -0.5030 20 C 4.0139 -1.2447 -0.5806 C.ar 1 UNL11111111 -0.3179 21 C 4.9252 -0.3565 0.0073 C.ar 1 UNL11111111 0.2370 22 H 0.8856 2.7976 -0.2156 H 1 UNL11111111 0.1925 23 H -5.1559 -0.3235 0.0379 H 1 UNL11111111 0.2514 24 H 2.8399 2.1180 1.0144 H 1 UNL11111111 0.2086 25 H 1.9376 -1.5787 -1.0350 H 1 UNL11111111 0.2501 26 H 5.2526 1.5226 1.0345 H 1 UNL11111111 0.2553 27 H 4.3694 -2.1773 -1.0136 H 1 UNL11111111 0.2472 28 H -3.4140 2.7827 -0.1325 H 1 UNL11111111 0.3674 29 H -1.8426 -3.5287 0.2444 H 1 UNL11111111 0.3756 30 H -4.9586 -2.6821 0.1970 H 1 UNL11111111 0.3486 31 H 6.8282 -0.1087 0.4058 H 1 UNL11111111 0.3293 @BOND 1 25 18 1 2 27 20 1 3 18 20 ar 4 18 11 ar 5 20 21 ar 6 22 14 1 7 5 10 2 8 28 2 1 9 14 10 1 10 14 9 2 11 10 7 1 12 2 12 1 13 9 11 1 14 9 1 1 15 7 12 ar 16 7 8 ar 17 12 16 ar 18 11 17 ar 19 6 21 1 20 6 31 1 21 21 19 ar 22 8 1 1 23 8 13 ar 24 16 23 1 25 16 15 ar 26 13 15 ar 27 13 3 1 28 15 4 1 29 3 29 1 30 4 30 1 31 17 19 ar 32 17 24 1 33 19 26 1