@MOLECULE 3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-(2-hydroxy-3-methyl-3-buten-1-yl)-8-(3-methyl-2-buten-1-yl)-4h-chromen-4-one 58 60 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.7517 -1.9659 -0.7487 O.2 1 UNL1 -0.2599 2 O 3.8257 -0.8134 -0.8203 O.3 1 UNL1 -0.4669 3 O 0.5852 2.5816 -0.3329 O.3 1 UNL1 -0.3986 4 O 2.9850 3.1068 1.1812 O.3 1 UNL1 -0.5996 5 O -1.9208 1.9229 -0.3959 O.2 1 UNL1 -0.4075 6 O -6.3167 0.1702 2.4544 O.3 1 UNL1 -0.4732 7 O -7.9624 0.6671 0.1720 O.3 1 UNL1 -0.4694 8 C 2.2600 0.8953 -0.6768 C.ar 1 UNL1 -0.3150 9 C 3.3818 1.8705 -0.7515 C.3 1 UNL1 -0.2553 10 C 1.5051 -1.4448 -0.8285 C.ar 1 UNL1 -0.3038 11 C -0.1387 0.3731 -0.5648 C.ar 1 UNL1 -0.4099 12 C 0.1938 -0.9786 -0.7141 C.ar 1 UNL1 0.3335 13 C 2.5197 -0.4776 -0.7755 C.ar 1 UNL1 0.3857 14 C 0.9232 1.3037 -0.5218 C.ar 1 UNL1 0.4255 15 C 3.9274 2.1749 0.6524 C.3 1 UNL1 0.1534 16 C 1.8182 -2.8964 -1.0001 C.3 1 UNL1 -0.2340 17 C -1.5432 0.7800 -0.4544 C.ar 1 UNL1 0.5114 18 C -2.4936 -0.3559 -0.4349 C.ar 1 UNL1 -0.2600 19 C 5.2818 2.8389 0.6189 C.2 1 UNL1 0.0044 20 C -2.0562 -1.6142 -0.5831 C.ar 1 UNL1 0.1209 21 C 2.1081 -3.5275 0.3248 C.2 1 UNL1 -0.2223 22 C -3.9171 -0.0688 -0.2570 C.ar 1 UNL1 0.0302 23 C 3.2490 -4.1171 0.7012 C.2 1 UNL1 0.0390 24 C 5.3394 4.1456 -0.0906 C.3 1 UNL1 -0.4512 25 C -4.4465 -0.0272 1.0363 C.ar 1 UNL1 -0.1767 26 C -4.7262 0.1493 -1.3737 C.ar 1 UNL1 -0.1478 27 C 6.3473 2.2915 1.2050 C.2 1 UNL1 -0.3613 28 C 4.4768 -4.2159 -0.1428 C.3 1 UNL1 -0.4640 29 C 3.3794 -4.7453 2.0535 C.3 1 UNL1 -0.4548 30 C -5.8061 0.2112 1.1871 C.ar 1 UNL1 0.1456 31 C -6.0885 0.3861 -1.2206 C.ar 1 UNL1 -0.1740 32 C -6.6248 0.4016 0.0645 C.ar 1 UNL1 0.1392 33 H 4.1938 1.4699 -1.4001 H 1 UNL1 0.1728 34 H 3.0637 2.8150 -1.2388 H 1 UNL1 0.1601 35 H 3.9175 1.2581 1.2853 H 1 UNL1 0.1336 36 H 2.6375 -3.0376 -1.7352 H 1 UNL1 0.1389 37 H 0.9522 -3.4242 -1.4691 H 1 UNL1 0.1687 38 H -2.6342 -2.5378 -0.5991 H 1 UNL1 0.1764 39 H 1.2627 -3.4712 1.0094 H 1 UNL1 0.1582 40 H 3.9649 -1.8017 -0.7906 H 1 UNL1 0.3452 41 H 1.3691 3.1378 -0.0321 H 1 UNL1 0.3571 42 H 3.0746 3.1866 2.1469 H 1 UNL1 0.3308 43 H 6.3034 4.6560 0.0304 H 1 UNL1 0.1504 44 H 4.5562 4.8304 0.2774 H 1 UNL1 0.1716 45 H 5.1746 4.0202 -1.1703 H 1 UNL1 0.1577 46 H -3.8116 -0.1716 1.9101 H 1 UNL1 0.1813 47 H -4.2844 0.1418 -2.3710 H 1 UNL1 0.1642 48 H 6.3354 1.3475 1.7249 H 1 UNL1 0.1483 49 H 7.3260 2.7461 1.2018 H 1 UNL1 0.1499 50 H 4.9352 -5.2131 -0.0668 H 1 UNL1 0.1618 51 H 5.2390 -3.4937 0.1868 H 1 UNL1 0.1570 52 H 4.2846 -4.0503 -1.2107 H 1 UNL1 0.1487 53 H 2.4855 -4.6055 2.6778 H 1 UNL1 0.1546 54 H 3.5462 -5.8302 1.9728 H 1 UNL1 0.1563 55 H 4.2252 -4.3273 2.6149 H 1 UNL1 0.1554 56 H -6.7390 0.5583 -2.0800 H 1 UNL1 0.1740 57 H -7.0362 0.8368 2.5716 H 1 UNL1 0.3235 58 H -8.3584 0.1838 0.9354 H 1 UNL1 0.3202 @BOND 1 47 26 1 2 56 31 1 3 36 16 1 4 37 16 1 5 33 9 1 6 26 31 ar 7 26 22 ar 8 34 9 1 9 31 32 ar 10 52 28 1 11 45 24 1 12 16 10 1 13 16 21 1 14 10 13 ar 15 10 12 ar 16 2 40 1 17 2 13 1 18 13 8 ar 19 9 8 1 20 9 15 1 21 1 12 ar 22 1 20 ar 23 12 11 ar 24 8 14 ar 25 38 20 1 26 20 18 ar 27 11 14 ar 28 11 17 ar 29 14 3 1 30 17 18 ar 31 17 5 2 32 18 22 1 33 3 41 1 34 22 25 ar 35 28 50 1 36 28 51 1 37 28 23 1 38 24 43 1 39 24 44 1 40 24 19 1 41 32 7 1 42 32 30 ar 43 7 58 1 44 21 23 2 45 21 39 1 46 19 15 1 47 19 27 2 48 15 4 1 49 15 35 1 50 23 29 1 51 25 30 ar 52 25 46 1 53 4 42 1 54 30 6 1 55 49 27 1 56 27 48 1 57 54 29 1 58 29 55 1 59 29 53 1 60 6 57 1