@MOLECULE (2e)-1-(5-hydroxy-2,2-dimethyl-2h-chromen-6-yl)-3-(4-hydroxyphenyl)-2-propen-1-one 42 44 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.3077 1.4597 0.3720 O.3 1 UNL1111111111 -0.3589 2 O -1.9018 -2.4995 -0.5518 O.3 1 UNL1111111111 -0.4724 3 O 0.5874 -2.5042 0.2380 O.2 1 UNL1111111111 -0.5469 4 O 7.8795 1.5999 -0.2537 O.3 1 UNL1111111111 -0.4653 5 C -5.5709 0.9162 -0.1071 C.3 1 UNL1111111111 0.3276 6 C -5.5030 -0.4725 -0.6557 C.2 1 UNL1111111111 -0.2989 7 C -3.1417 -0.5603 -0.2072 C.ar 1 UNL1111111111 -0.3240 8 C -3.1891 0.7422 0.3070 C.ar 1 UNL1111111111 0.3868 9 C -5.9705 1.9171 -1.1936 C.3 1 UNL1111111111 -0.4858 10 C -6.4594 0.9777 1.1366 C.3 1 UNL1111111111 -0.4849 11 C -4.3551 -1.1614 -0.7105 C.2 1 UNL1111111111 -0.0376 12 C -1.9023 -1.2242 -0.1549 C.ar 1 UNL1111111111 0.4436 13 C -2.0473 1.3952 0.8251 C.ar 1 UNL1111111111 -0.3615 14 C -0.7314 -0.5783 0.2959 C.ar 1 UNL1111111111 -0.4180 15 C -0.8432 0.7277 0.8020 C.ar 1 UNL1111111111 0.0459 16 C 0.5529 -1.2786 0.2576 C.2 1 UNL1111111111 0.5392 17 C 1.7965 -0.4974 0.1688 C.2 1 UNL1111111111 -0.3323 18 C 3.0056 -1.0837 0.1624 C.2 1 UNL1111111111 -0.0038 19 C 4.2562 -0.3495 0.0094 C.ar 1 UNL1111111111 -0.1289 20 C 4.2951 0.9395 -0.5374 C.ar 1 UNL1111111111 -0.0441 21 C 5.4512 -0.9591 0.4279 C.ar 1 UNL1111111111 -0.0619 22 C 5.4964 1.6344 -0.6373 C.ar 1 UNL1111111111 -0.3253 23 C 6.6607 -0.2897 0.3352 C.ar 1 UNL1111111111 -0.2557 24 C 6.6627 1.0069 -0.1955 C.ar 1 UNL1111111111 0.3110 25 H -6.4497 -0.8772 -1.0025 H 1 UNL1111111111 0.1654 26 H -6.9736 1.7136 -1.5794 H 1 UNL1111111111 0.1578 27 H -5.9528 2.9455 -0.8113 H 1 UNL1111111111 0.1616 28 H -5.2676 1.8750 -2.0369 H 1 UNL1111111111 0.1641 29 H -6.1120 0.2671 1.8982 H 1 UNL1111111111 0.1652 30 H -6.4381 1.9752 1.5936 H 1 UNL1111111111 0.1621 31 H -7.4990 0.7371 0.8974 H 1 UNL1111111111 0.1578 32 H -4.2796 -2.1716 -1.1183 H 1 UNL1111111111 0.1710 33 H -2.1435 2.3924 1.2403 H 1 UNL1111111111 0.1807 34 H 0.0439 1.2171 1.2116 H 1 UNL1111111111 0.1541 35 H -0.9903 -2.9340 -0.3830 H 1 UNL1111111111 0.3857 36 H 1.6806 0.5784 0.0676 H 1 UNL1111111111 0.1667 37 H 3.1022 -2.1734 0.2827 H 1 UNL1111111111 0.1711 38 H 3.3768 1.4045 -0.8946 H 1 UNL1111111111 0.1567 39 H 5.4267 -1.9705 0.8380 H 1 UNL1111111111 0.1584 40 H 5.5203 2.6374 -1.0482 H 1 UNL1111111111 0.1633 41 H 7.5947 -0.7434 0.6588 H 1 UNL1111111111 0.1803 42 H 7.8373 2.5131 -0.6290 H 1 UNL1111111111 0.3297 @BOND 1 1 5 1 2 1 8 1 3 2 12 1 4 2 35 1 5 3 16 2 6 4 24 1 7 4 42 1 8 5 6 1 9 5 9 1 10 5 10 1 11 6 11 2 12 6 25 1 13 7 8 ar 14 7 11 1 15 7 12 ar 16 8 13 ar 17 9 26 1 18 9 27 1 19 9 28 1 20 10 29 1 21 10 30 1 22 10 31 1 23 11 32 1 24 12 14 ar 25 13 15 ar 26 13 33 1 27 14 15 ar 28 14 16 1 29 15 34 1 30 16 17 1 31 17 18 2 32 17 36 1 33 18 19 1 34 18 37 1 35 19 20 ar 36 19 21 ar 37 20 22 ar 38 20 38 1 39 21 23 ar 40 21 39 1 41 22 24 ar 42 22 40 1 43 23 24 ar 44 23 41 1