@MOLECULE (2s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(3-methyl-2-buten-1-yl)-2,3-dihydro-4h-chromen-4-one 45 47 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.3876 0.4794 -0.4330 O.3 1 UNL1111111111 -0.3317 2 O 2.2533 -2.5061 0.1478 O.3 1 UNL1111111111 -0.3968 3 O -0.1773 -3.3048 0.5116 O.2 1 UNL1111111111 -0.4376 4 O 2.8892 2.1526 -0.8472 O.3 1 UNL1111111111 -0.4613 5 O -7.3711 1.5233 0.5024 O.3 1 UNL1111111111 -0.4715 6 C -2.2936 -0.6418 -0.5010 C.3 1 UNL1111111111 0.1350 7 C -1.9238 -1.7101 0.5178 C.3 1 UNL1111111111 -0.4436 8 C 0.4249 -1.0896 -0.0785 C.ar 1 UNL1111111111 -0.4539 9 C -0.0733 0.1914 -0.3830 C.ar 1 UNL1111111111 0.3993 10 C -0.4865 -2.1570 0.3151 C.2 1 UNL1111111111 0.5196 11 C -3.6373 -0.0402 -0.2157 C.ar 1 UNL1111111111 -0.1294 12 C 1.8214 -1.2630 -0.1143 C.ar 1 UNL1111111111 0.4308 13 C 2.7034 -0.2109 -0.4006 C.ar 1 UNL1111111111 -0.3964 14 C 0.7606 1.2812 -0.6313 C.ar 1 UNL1111111111 -0.4358 15 C 2.1394 1.0575 -0.6167 C.ar 1 UNL1111111111 0.4302 16 C 4.1795 -0.4117 -0.4920 C.3 1 UNL1111111111 -0.2243 17 C -4.7583 -0.5044 -0.9119 C.ar 1 UNL1111111111 -0.0823 18 C -3.7631 0.9720 0.7360 C.ar 1 UNL1111111111 -0.0461 19 C 4.8943 0.2867 0.6222 C.2 1 UNL1111111111 -0.2618 20 C -6.0126 0.0300 -0.6541 C.ar 1 UNL1111111111 -0.2478 21 C -5.0104 1.5293 1.0060 C.ar 1 UNL1111111111 -0.3173 22 C -6.1162 1.0453 0.3050 C.ar 1 UNL1111111111 0.2998 23 C 6.1056 0.8483 0.5105 C.2 1 UNL1111111111 0.0594 24 C 6.7529 1.5263 1.6720 C.3 1 UNL1111111111 -0.4592 25 C 6.8993 0.8429 -0.7537 C.3 1 UNL1111111111 -0.4622 26 H -2.2141 -1.0268 -1.5465 H 1 UNL1111111111 0.1456 27 H -2.6120 -2.5767 0.4488 H 1 UNL1111111111 0.1865 28 H -2.0362 -1.3343 1.5562 H 1 UNL1111111111 0.1857 29 H 0.3569 2.2677 -0.8354 H 1 UNL1111111111 0.2026 30 H 4.4521 -1.4937 -0.4739 H 1 UNL1111111111 0.1433 31 H 4.5408 -0.0724 -1.4906 H 1 UNL1111111111 0.1527 32 H -4.6514 -1.2907 -1.6600 H 1 UNL1111111111 0.1556 33 H -2.8793 1.3345 1.2665 H 1 UNL1111111111 0.1672 34 H 4.3485 0.2997 1.5653 H 1 UNL1111111111 0.1642 35 H -6.9018 -0.3144 -1.1757 H 1 UNL1111111111 0.1769 36 H -5.1152 2.3195 1.7407 H 1 UNL1111111111 0.1626 37 H 3.2505 -2.5648 0.1769 H 1 UNL1111111111 0.3206 38 H 3.8624 1.9917 -0.7113 H 1 UNL1111111111 0.3445 39 H 6.1310 1.5124 2.5775 H 1 UNL1111111111 0.1570 40 H 7.7069 1.0443 1.9318 H 1 UNL1111111111 0.1599 41 H 6.9717 2.5806 1.4481 H 1 UNL1111111111 0.1587 42 H 7.0945 -0.1834 -1.0991 H 1 UNL1111111111 0.1609 43 H 6.3784 1.3679 -1.5669 H 1 UNL1111111111 0.1552 44 H 7.8783 1.3283 -0.6415 H 1 UNL1111111111 0.1564 45 H -7.3983 2.2398 1.1817 H 1 UNL1111111111 0.3287 @BOND 1 1 6 1 2 1 9 1 3 2 12 1 4 2 37 1 5 3 10 2 6 4 15 1 7 4 38 1 8 5 22 1 9 5 45 1 10 6 7 1 11 6 11 1 12 6 26 1 13 7 10 1 14 7 27 1 15 7 28 1 16 8 9 ar 17 8 10 1 18 8 12 ar 19 9 14 ar 20 11 17 ar 21 11 18 ar 22 12 13 ar 23 13 15 ar 24 13 16 1 25 14 15 ar 26 14 29 1 27 16 19 1 28 16 30 1 29 16 31 1 30 17 20 ar 31 17 32 1 32 18 21 ar 33 18 33 1 34 19 23 2 35 19 34 1 36 20 22 ar 37 20 35 1 38 21 22 ar 39 21 36 1 40 23 24 1 41 23 25 1 42 24 39 1 43 24 40 1 44 24 41 1 45 25 42 1 46 25 43 1 47 25 44 1