@MOLECULE (2s)-7-hydroxy-2-[4-hydroxy-3-methoxy-5-(3-methyl-2-buten-1-yl)phenyl]-2,3-dihydro-4h-chromen-4-one 48 50 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.4072 0.1376 0.3665 O.3 1 UNL1111111111 -0.3242 2 O 3.3775 -2.8397 1.3733 O.3 1 UNL1111111111 -0.2560 3 O -3.5330 -1.8022 -2.5363 O.2 1 UNL1111111111 -0.4631 4 O 4.7100 -1.0673 0.0850 O.3 1 UNL1111111111 -0.4322 5 O -5.3700 1.9715 2.1774 O.3 1 UNL1111111111 -0.4612 6 C -0.9032 -1.0714 -0.2449 C.3 1 UNL1111111111 0.1234 7 C -1.3942 -1.2033 -1.6813 C.3 1 UNL1111111111 -0.4344 8 C 0.5885 -0.9614 -0.1429 C.ar 1 UNL1111111111 -0.0428 9 C -2.9066 -1.2040 -1.6949 C.2 1 UNL1111111111 0.5067 10 C -3.5345 -0.4093 -0.6386 C.ar 1 UNL1111111111 -0.3846 11 C 1.3070 0.0322 -0.7913 C.ar 1 UNL1111111111 -0.1519 12 C -2.7533 0.2506 0.3227 C.ar 1 UNL1111111111 0.3684 13 C 2.7079 0.0350 -0.7458 C.ar 1 UNL1111111111 -0.0765 14 C 1.2402 -1.9436 0.6129 C.ar 1 UNL1111111111 -0.2617 15 C 2.6229 -1.9444 0.6826 C.ar 1 UNL1111111111 0.1604 16 C 3.3616 -0.9527 -0.0138 C.ar 1 UNL1111111111 0.1740 17 C 3.4792 1.0844 -1.4905 C.3 1 UNL1111111111 -0.2645 18 C -4.9272 -0.2590 -0.6023 C.ar 1 UNL1111111111 0.0514 19 C -3.3246 1.0836 1.2897 C.ar 1 UNL1111111111 -0.4458 20 C -4.7125 1.2060 1.2799 C.ar 1 UNL1111111111 0.3887 21 C -5.5326 0.5384 0.3525 C.ar 1 UNL1111111111 -0.3415 22 C 3.9983 2.1279 -0.5511 C.2 1 UNL1111111111 -0.2485 23 C 3.3404 3.2416 -0.2007 C.2 1 UNL1111111111 0.0899 24 C 3.9627 4.2512 0.7116 C.3 1 UNL1111111111 -0.4633 25 C 1.9637 3.5912 -0.6541 C.3 1 UNL1111111111 -0.4585 26 C 2.6545 -3.8485 2.0717 C.3 1 UNL1111111111 -0.2203 27 H -1.2997 -1.9119 0.3821 H 1 UNL1111111111 0.1415 28 H -0.9898 -2.1278 -2.1472 H 1 UNL1111111111 0.1909 29 H -1.0251 -0.3781 -2.3253 H 1 UNL1111111111 0.1886 30 H 0.7815 0.8145 -1.3399 H 1 UNL1111111111 0.1631 31 H 0.6565 -2.6939 1.1388 H 1 UNL1111111111 0.1668 32 H 4.3190 0.6230 -2.0588 H 1 UNL1111111111 0.1479 33 H 2.8468 1.5449 -2.2806 H 1 UNL1111111111 0.1599 34 H -5.5290 -0.7889 -1.3503 H 1 UNL1111111111 0.1726 35 H -2.6995 1.5921 2.0126 H 1 UNL1111111111 0.1863 36 H 4.9865 1.9200 -0.1459 H 1 UNL1111111111 0.1435 37 H -6.6115 0.6591 0.4024 H 1 UNL1111111111 0.1853 38 H 5.1744 -0.3036 -0.3455 H 1 UNL1111111111 0.3223 39 H 3.3577 4.3957 1.6180 H 1 UNL1111111111 0.1596 40 H 4.0474 5.2297 0.2174 H 1 UNL1111111111 0.1556 41 H 4.9714 3.9736 1.0436 H 1 UNL1111111111 0.1533 42 H 1.2458 3.4964 0.1763 H 1 UNL1111111111 0.1653 43 H 1.5947 2.9419 -1.4584 H 1 UNL1111111111 0.1535 44 H 1.9044 4.6241 -1.0227 H 1 UNL1111111111 0.1537 45 H 3.4639 -4.4301 2.5309 H 1 UNL1111111111 0.1546 46 H 2.0782 -4.4716 1.3814 H 1 UNL1111111111 0.1345 47 H 2.0171 -3.4119 2.8473 H 1 UNL1111111111 0.1359 48 H -4.7610 2.4181 2.8195 H 1 UNL1111111111 0.3334 @BOND 1 1 6 1 2 1 12 1 3 2 15 1 4 2 26 1 5 3 9 2 6 4 16 1 7 4 38 1 8 5 20 1 9 5 48 1 10 6 7 1 11 6 8 1 12 6 27 1 13 7 9 1 14 7 28 1 15 7 29 1 16 8 11 ar 17 8 14 ar 18 9 10 1 19 10 12 ar 20 10 18 ar 21 11 13 ar 22 11 30 1 23 12 19 ar 24 13 16 ar 25 13 17 1 26 14 15 ar 27 14 31 1 28 15 16 ar 29 17 22 1 30 17 32 1 31 17 33 1 32 18 21 ar 33 18 34 1 34 19 20 ar 35 19 35 1 36 20 21 ar 37 21 37 1 38 22 23 2 39 22 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 48 26 45 1 49 26 46 1 50 26 47 1