@MOLECULE (2s)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methyl-2-buten-1-yl)-2,3-dihydro-4h-chromen-4-one 46 48 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.2208 -0.0268 0.2314 O.3 1 UNL1111111111 -0.3059 2 O 2.3175 -3.4294 -0.5575 O.2 1 UNL1111111111 -0.4330 3 O 4.4933 -2.0298 -0.2851 O.3 1 UNL1111111111 -0.3996 4 O 3.9951 2.6150 0.7522 O.3 1 UNL1111111111 -0.4526 5 O -2.4882 -0.2920 -2.2584 O.3 1 UNL1111111111 -0.4660 6 O -5.7714 -0.5268 1.1151 O.3 1 UNL1111111111 -0.4621 7 C -0.3962 -1.1626 -0.4135 C.3 1 UNL1111111111 0.1485 8 C 0.2449 -2.4627 0.0471 C.3 1 UNL1111111111 -0.4372 9 C 1.5651 0.0177 0.2110 C.ar 1 UNL1111111111 0.3687 10 C 2.3596 -1.1185 -0.0365 C.ar 1 UNL1111111111 -0.4509 11 C 1.7397 -2.4246 -0.2298 C.2 1 UNL1111111111 0.5163 12 C 2.1030 1.2841 0.4802 C.ar 1 UNL1111111111 -0.2601 13 C -1.8299 -1.0053 -0.0350 C.ar 1 UNL1111111111 -0.2861 14 C 3.7534 -0.9363 -0.0367 C.ar 1 UNL1111111111 0.4437 15 C 1.2077 2.4537 0.7301 C.3 1 UNL1111111111 -0.2180 16 C 3.4980 1.3878 0.4827 C.ar 1 UNL1111111111 0.4114 17 C 4.3445 0.3038 0.2211 C.ar 1 UNL1111111111 -0.5490 18 C -2.7839 -0.5747 -0.9691 C.ar 1 UNL1111111111 0.3769 19 C -2.2449 -1.2141 1.2863 C.ar 1 UNL1111111111 0.0123 20 C 0.3765 2.7412 -0.4825 C.2 1 UNL1111111111 -0.2241 21 C -4.1331 -0.4126 -0.6396 C.ar 1 UNL1111111111 -0.4233 22 C -3.5687 -1.0485 1.6601 C.ar 1 UNL1111111111 -0.3253 23 C -4.4973 -0.6593 0.6816 C.ar 1 UNL1111111111 0.3672 24 C -0.9621 2.7804 -0.4987 C.2 1 UNL1111111111 0.0545 25 C -1.7131 3.0568 -1.7614 C.3 1 UNL1111111111 -0.4621 26 C -1.8112 2.5450 0.7064 C.3 1 UNL1111111111 -0.4616 27 H -0.2215 -1.0199 -1.5114 H 1 UNL1111111111 0.1235 28 H -0.2218 -3.3339 -0.4563 H 1 UNL1111111111 0.1893 29 H 0.0940 -2.6387 1.1315 H 1 UNL1111111111 0.1837 30 H 0.5768 2.2519 1.6236 H 1 UNL1111111111 0.1532 31 H 1.7980 3.3611 0.9935 H 1 UNL1111111111 0.1614 32 H 5.4172 0.4222 0.2198 H 1 UNL1111111111 0.1745 33 H -1.5062 -1.5045 2.0384 H 1 UNL1111111111 0.1604 34 H 0.9605 2.9166 -1.3834 H 1 UNL1111111111 0.1476 35 H -4.8445 -0.0980 -1.3940 H 1 UNL1111111111 0.1869 36 H -3.9004 -1.2099 2.6817 H 1 UNL1111111111 0.1824 37 H 5.4684 -1.8391 -0.2709 H 1 UNL1111111111 0.3205 38 H 4.9847 2.6354 0.7271 H 1 UNL1111111111 0.3309 39 H -1.5069 -0.2492 -2.4245 H 1 UNL1111111111 0.3368 40 H -1.0548 3.2212 -2.6231 H 1 UNL1111111111 0.1487 41 H -2.3803 2.2181 -2.0141 H 1 UNL1111111111 0.1602 42 H -2.3426 3.9515 -1.6588 H 1 UNL1111111111 0.1544 43 H -1.6499 1.5284 1.1034 H 1 UNL1111111111 0.1681 44 H -1.5759 3.2532 1.5119 H 1 UNL1111111111 0.1542 45 H -2.8834 2.6386 0.4977 H 1 UNL1111111111 0.1482 46 H -6.3910 -0.2532 0.3929 H 1 UNL1111111111 0.3325 @BOND 1 1 7 1 2 1 9 1 3 2 11 2 4 3 14 1 5 3 37 1 6 4 16 1 7 4 38 1 8 5 18 1 9 5 39 1 10 6 23 1 11 6 46 1 12 7 8 1 13 7 13 1 14 7 27 1 15 8 11 1 16 8 28 1 17 8 29 1 18 9 10 ar 19 9 12 ar 20 10 11 1 21 10 14 ar 22 12 15 1 23 12 16 ar 24 13 18 ar 25 13 19 ar 26 14 17 ar 27 15 20 1 28 15 30 1 29 15 31 1 30 16 17 ar 31 17 32 1 32 18 21 ar 33 19 22 ar 34 19 33 1 35 20 24 2 36 20 34 1 37 21 23 ar 38 21 35 1 39 22 23 ar 40 22 36 1 41 24 25 1 42 24 26 1 43 25 40 1 44 25 41 1 45 25 42 1 46 26 43 1 47 26 44 1 48 26 45 1