@MOLECULE baicalein 30 32 0 0 0 SMALL USER_CHARGES @ATOM 1 O 0.6832 0.7036 -0.0574 O.3 1 UNL11111111 -0.0360 2 O -3.3645 -1.9195 0.1056 O.3 1 UNL11111111 -0.3231 3 O -4.8119 0.4475 -0.0568 O.3 1 UNL11111111 -0.4035 4 O -3.4686 2.8144 -0.1919 O.3 1 UNL11111111 -0.3317 5 O -0.9680 -3.0193 0.2111 O.2 1 UNL11111111 -0.3324 6 C -1.2853 -0.7037 0.0393 C.ar 1 UNL11111111 -0.0457 7 C -0.6773 0.5541 -0.0476 C.ar 1 UNL11111111 0.1672 8 C 1.4617 -0.4214 0.0329 C.2 1 UNL11111111 0.0493 9 C -2.6935 -0.7641 0.0343 C.ar 1 UNL11111111 -0.0484 10 C -0.4681 -1.9059 0.1314 C.2 1 UNL11111111 0.1457 11 C 0.9683 -1.6717 0.1251 C.2 1 UNL11111111 -0.3403 12 C 2.8671 -0.0156 0.0150 C.ar 1 UNL11111111 0.0790 13 C -1.3932 1.7435 -0.1306 C.ar 1 UNL11111111 -0.4816 14 C -3.4456 0.4123 -0.0426 C.ar 1 UNL11111111 -0.1440 15 C -2.7903 1.6549 -0.1223 C.ar 1 UNL11111111 0.2332 16 C 3.8144 -0.8268 -0.6166 C.ar 1 UNL11111111 -0.1996 17 C 3.2561 1.1814 0.6238 C.ar 1 UNL11111111 -0.1496 18 C 5.1512 -0.4394 -0.6345 C.ar 1 UNL11111111 -0.2270 19 C 4.5954 1.5622 0.6021 C.ar 1 UNL11111111 -0.2421 20 C 5.5415 0.7533 -0.0259 C.ar 1 UNL11111111 -0.1163 21 H 1.6066 -2.5488 0.2097 H 1 UNL11111111 0.2182 22 H -0.9001 2.7095 -0.2008 H 1 UNL11111111 0.3118 23 H 3.5078 -1.7558 -1.0992 H 1 UNL11111111 0.2142 24 H 2.5144 1.8141 1.1144 H 1 UNL11111111 0.2057 25 H 5.8917 -1.0675 -1.1269 H 1 UNL11111111 0.2019 26 H 4.9034 2.4930 1.0760 H 1 UNL11111111 0.2027 27 H 6.5887 1.0539 -0.0420 H 1 UNL11111111 0.1819 28 H -2.6993 -2.7044 0.1788 H 1 UNL11111111 0.4022 29 H -5.1709 -0.4691 0.0893 H 1 UNL11111111 0.4137 30 H -4.4567 2.6565 -0.1727 H 1 UNL11111111 0.3946 @BOND 1 25 18 1 2 23 16 1 3 18 16 ar 4 18 20 ar 5 16 12 ar 6 22 13 1 7 4 30 1 8 4 15 1 9 13 15 ar 10 13 7 ar 11 15 14 ar 12 1 7 1 13 1 8 1 14 3 14 1 15 3 29 1 16 7 6 ar 17 14 9 ar 18 27 20 1 19 20 19 ar 20 12 8 1 21 12 17 ar 22 8 11 2 23 9 6 ar 24 9 2 1 25 6 10 1 26 2 28 1 27 11 10 1 28 11 21 1 29 10 5 2 30 19 17 ar 31 19 26 1 32 17 24 1