@MOLECULE 3',5,7-trihydroxy-4',5',6-trimethoxyisoflavone 42 44 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.5397 2.3997 -0.1101 O.2 1 UNL111111111 -0.2463 2 O 5.6013 -1.3229 -0.2630 O.3 1 UNL111111111 -0.2917 3 O 2.9575 -2.2112 -0.0534 O.3 1 UNL111111111 -0.4401 4 O 0.4281 -1.5222 0.0363 O.2 1 UNL111111111 -0.5069 5 O -4.4361 -0.0810 -2.0911 O.3 1 UNL111111111 -0.3386 6 O -5.6572 -0.5361 0.5203 O.3 1 UNL111111111 -0.3277 7 O 6.0769 1.3488 -0.2762 O.3 1 UNL111111111 -0.4293 8 O -4.0900 -0.1510 2.7297 O.3 1 UNL111111111 -0.4483 9 C 2.1534 0.0558 -0.0817 C.ar 1 UNL111111111 -0.4715 10 C -0.2030 0.7611 0.0391 C.ar 1 UNL111111111 -0.2684 11 C -1.6277 0.4380 0.1465 C.ar 1 UNL111111111 0.1096 12 C 2.4929 1.4141 -0.1345 C.ar 1 UNL111111111 0.3479 13 C 0.7577 -0.3478 -0.0009 C.ar 1 UNL111111111 0.5478 14 C 3.1952 -0.9020 -0.1025 C.ar 1 UNL111111111 0.4022 15 C 0.2360 2.0317 -0.0194 C.ar 1 UNL111111111 0.1543 16 C -2.3828 0.2761 -1.0157 C.ar 1 UNL111111111 -0.2717 17 C 3.8009 1.8742 -0.2066 C.ar 1 UNL111111111 -0.4026 18 C 4.5280 -0.4740 -0.1532 C.ar 1 UNL111111111 -0.1443 19 C -2.2016 0.2896 1.4099 C.ar 1 UNL111111111 -0.2699 20 C 4.8098 0.9029 -0.2108 C.ar 1 UNL111111111 0.3684 21 C -3.7417 -0.0353 -0.9144 C.ar 1 UNL111111111 0.2279 22 C -3.5604 -0.0156 1.4913 C.ar 1 UNL111111111 0.2702 23 C -4.3460 -0.1689 0.3375 C.ar 1 UNL111111111 -0.0609 24 C 5.7912 -2.1265 0.9022 C.3 1 UNL111111111 -0.2119 25 C -5.1141 -1.3155 -2.3165 C.3 1 UNL111111111 -0.1945 26 C -6.5625 0.5343 0.2388 C.3 1 UNL111111111 -0.2086 27 H -0.3518 2.9485 -0.0039 H 1 UNL111111111 0.1825 28 H -1.9277 0.3714 -1.9994 H 1 UNL111111111 0.1831 29 H 4.0458 2.9313 -0.2563 H 1 UNL111111111 0.2049 30 H -1.6128 0.3900 2.3183 H 1 UNL111111111 0.1867 31 H 1.9457 -2.3910 -0.0161 H 1 UNL111111111 0.3850 32 H 6.7213 0.5807 -0.2977 H 1 UNL111111111 0.3496 33 H -5.0468 -0.4251 2.6705 H 1 UNL111111111 0.3400 34 H 6.7049 -2.6818 0.6607 H 1 UNL111111111 0.1444 35 H 4.9492 -2.8162 1.0313 H 1 UNL111111111 0.1523 36 H 5.9273 -1.5084 1.7903 H 1 UNL111111111 0.1263 37 H -5.8920 -1.4861 -1.5654 H 1 UNL111111111 0.1458 38 H -4.3998 -2.1454 -2.3296 H 1 UNL111111111 0.1374 39 H -5.5528 -1.1632 -3.3099 H 1 UNL111111111 0.1457 40 H -6.4513 0.8777 -0.7958 H 1 UNL111111111 0.1455 41 H -6.4051 1.3607 0.9372 H 1 UNL111111111 0.1297 42 H -7.5426 0.0681 0.3920 H 1 UNL111111111 0.1463 @BOND 1 1 12 ar 2 1 15 ar 3 2 18 1 4 2 24 1 5 3 14 1 6 3 31 1 7 4 13 2 8 5 21 1 9 5 25 1 10 6 23 1 11 6 26 1 12 7 20 1 13 7 32 1 14 8 22 1 15 8 33 1 16 9 12 ar 17 9 13 ar 18 9 14 ar 19 10 11 1 20 10 13 ar 21 10 15 ar 22 11 16 ar 23 11 19 ar 24 12 17 ar 25 14 18 ar 26 15 27 1 27 16 21 ar 28 16 28 1 29 17 20 ar 30 17 29 1 31 18 20 ar 32 19 22 ar 33 19 30 1 34 21 23 ar 35 22 23 ar 36 24 34 1 37 24 35 1 38 24 36 1 39 25 37 1 40 25 38 1 41 25 39 1 42 26 40 1 43 26 41 1 44 26 42 1