@MOLECULE (2s)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2h-chromen-7-yl 2-o-(6-deoxy-beta-l-mannopyranosyl)-beta-d-glucopyranoside 77 81 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.7339 -0.4115 0.7457 O.3 1 UNL11111111111 -0.3746 2 O -0.7471 -2.1250 -0.3258 O.3 1 UNL11111111111 -0.4591 3 O -5.5675 -0.5058 -0.5239 O.3 1 UNL11111111111 -0.5174 4 O -1.3393 0.0564 -0.5687 O.3 1 UNL11111111111 -0.3711 5 O -4.5984 -3.2100 0.4629 O.3 1 UNL11111111111 -0.5472 6 O -2.3559 -4.9567 1.2469 O.3 1 UNL11111111111 -0.5370 7 O -5.8726 0.9468 1.8284 O.3 1 UNL11111111111 -0.5361 8 O -6.8422 3.2110 0.6215 O.3 1 UNL11111111111 -0.5370 9 O -7.8938 1.9108 -1.7795 O.3 1 UNL11111111111 -0.5501 10 O 1.3208 -4.3406 0.0304 O.3 1 UNL11111111111 -0.5351 11 O 3.3474 0.6098 -0.1484 O.3 1 UNL11111111111 -0.3183 12 O 0.2945 4.2656 0.5467 O.3 1 UNL11111111111 -0.4571 13 O 2.8951 4.4945 0.9991 O.2 1 UNL11111111111 -0.5240 14 O 7.7731 -1.2702 1.7580 O.3 1 UNL11111111111 -0.4301 15 O 9.2948 -1.2157 -0.3060 O.3 1 UNL11111111111 -0.2531 16 C -3.0052 -1.4301 0.0750 C.3 1 UNL11111111111 -0.0176 17 C -3.3160 -2.7416 0.8139 C.3 1 UNL11111111111 0.0572 18 C -2.3414 -3.8518 0.3740 C.3 1 UNL11111111111 0.0720 19 C -4.5198 0.3670 -0.1169 C.3 1 UNL11111111111 0.2581 20 C -1.5119 -1.0846 0.2492 C.3 1 UNL11111111111 0.2959 21 C -5.1488 1.4800 0.7468 C.3 1 UNL11111111111 0.0403 22 C -0.8689 -3.3647 0.3562 C.3 1 UNL11111111111 0.0315 23 C -6.1549 2.2500 -0.1364 C.3 1 UNL11111111111 0.0395 24 C -7.1861 1.2726 -0.7383 C.3 1 UNL11111111111 0.0384 25 C -6.4930 0.0767 -1.4334 C.3 1 UNL11111111111 0.1433 26 C 0.0066 -4.3160 -0.4749 C.3 1 UNL11111111111 -0.0129 27 C -7.4773 -1.0403 -1.7341 C.3 1 UNL11111111111 -0.4662 28 C -0.2379 0.8165 -0.2779 C.ar 1 UNL11111111111 0.3897 29 C 1.0483 0.2733 -0.3020 C.ar 1 UNL11111111111 -0.4384 30 C -0.5067 2.1608 -0.0316 C.ar 1 UNL11111111111 -0.4233 31 C 2.1090 1.1445 -0.0666 C.ar 1 UNL11111111111 0.3952 32 C 1.9033 2.5019 0.2613 C.ar 1 UNL11111111111 -0.5124 33 C 4.3912 1.5732 -0.4253 C.3 1 UNL11111111111 0.1268 34 C 0.5799 2.9950 0.2550 C.ar 1 UNL11111111111 0.4548 35 C 4.3751 2.6720 0.6359 C.3 1 UNL11111111111 -0.4282 36 C 3.0235 3.3344 0.6518 C.2 1 UNL11111111111 0.5443 37 C 5.6657 0.7865 -0.4305 C.ar 1 UNL11111111111 -0.0559 38 C 6.0674 0.0742 0.7075 C.ar 1 UNL11111111111 -0.2358 39 C 6.4612 0.7944 -1.5690 C.ar 1 UNL11111111111 -0.1369 40 C 7.2885 -0.5783 0.6954 C.ar 1 UNL11111111111 0.1877 41 C 7.6920 0.1283 -1.5858 C.ar 1 UNL11111111111 -0.2511 42 C 8.1235 -0.5487 -0.4542 C.ar 1 UNL11111111111 0.1664 43 C 10.1519 -1.2503 -1.4413 C.3 1 UNL11111111111 -0.2208 44 H -3.2720 -1.5074 -1.0040 H 1 UNL11111111111 0.1759 45 H -3.3207 -2.5901 1.9180 H 1 UNL11111111111 0.1449 46 H -2.6605 -4.2728 -0.6106 H 1 UNL11111111111 0.1687 47 H -3.9420 0.7223 -0.9938 H 1 UNL11111111111 0.1383 48 H -1.1933 -0.8841 1.2915 H 1 UNL11111111111 0.1368 49 H -4.3948 2.1457 1.2212 H 1 UNL11111111111 0.1772 50 H -0.4671 -3.2639 1.3887 H 1 UNL11111111111 0.1523 51 H -5.6502 2.8574 -0.9234 H 1 UNL11111111111 0.1633 52 H -7.9162 0.9422 0.0318 H 1 UNL11111111111 0.1422 53 H -5.9517 0.4141 -2.3455 H 1 UNL11111111111 0.1383 54 H 0.0193 -4.0303 -1.5436 H 1 UNL11111111111 0.1348 55 H -0.3262 -5.3689 -0.3679 H 1 UNL11111111111 0.1666 56 H -8.3326 -0.6487 -2.3061 H 1 UNL11111111111 0.1768 57 H -7.8676 -1.4973 -0.8161 H 1 UNL11111111111 0.1595 58 H -7.0129 -1.8421 -2.3210 H 1 UNL11111111111 0.1609 59 H -5.2009 -2.4478 0.2855 H 1 UNL11111111111 0.3445 60 H -2.8577 -4.7729 2.0675 H 1 UNL11111111111 0.3271 61 H -6.1382 0.0173 1.6325 H 1 UNL11111111111 0.3372 62 H -7.1342 2.8188 1.4798 H 1 UNL11111111111 0.3374 63 H -8.1796 2.8056 -1.4829 H 1 UNL11111111111 0.3362 64 H 1.7535 -3.4695 -0.0869 H 1 UNL11111111111 0.3170 65 H 1.2124 -0.7754 -0.5338 H 1 UNL11111111111 0.2074 66 H -1.5185 2.5506 -0.0385 H 1 UNL11111111111 0.2015 67 H 4.1649 1.9956 -1.4364 H 1 UNL11111111111 0.1449 68 H 5.1809 3.4124 0.4524 H 1 UNL11111111111 0.1951 69 H 4.5904 2.2640 1.6484 H 1 UNL11111111111 0.1933 70 H 5.4167 0.0308 1.5786 H 1 UNL11111111111 0.1718 71 H 6.1377 1.3206 -2.4664 H 1 UNL11111111111 0.1566 72 H 1.1400 4.7812 0.7958 H 1 UNL11111111111 0.3815 73 H 8.2999 0.1550 -2.4868 H 1 UNL11111111111 0.1658 74 H 7.1412 -1.2492 2.5206 H 1 UNL11111111111 0.3205 75 H 9.6735 -1.7629 -2.2816 H 1 UNL11111111111 0.1369 76 H 10.4846 -0.2449 -1.7172 H 1 UNL11111111111 0.1349 77 H 10.9972 -1.8432 -1.0621 H 1 UNL11111111111 0.1597 @BOND 1 1 16 1 2 1 19 1 3 2 20 1 4 2 22 1 5 3 19 1 6 3 25 1 7 4 20 1 8 4 28 1 9 5 17 1 10 5 59 1 11 6 18 1 12 6 60 1 13 7 21 1 14 7 61 1 15 8 23 1 16 8 62 1 17 9 24 1 18 9 63 1 19 10 26 1 20 10 64 1 21 11 31 1 22 11 33 1 23 12 34 1 24 12 72 1 25 13 36 2 26 14 40 1 27 14 74 1 28 15 42 1 29 15 43 1 30 16 17 1 31 16 20 1 32 16 44 1 33 17 18 1 34 17 45 1 35 18 22 1 36 18 46 1 37 19 21 1 38 19 47 1 39 20 48 1 40 21 23 1 41 21 49 1 42 22 26 1 43 22 50 1 44 23 24 1 45 23 51 1 46 24 25 1 47 24 52 1 48 25 27 1 49 25 53 1 50 26 54 1 51 26 55 1 52 27 56 1 53 27 57 1 54 27 58 1 55 28 29 ar 56 28 30 ar 57 29 31 ar 58 29 65 1 59 30 34 ar 60 30 66 1 61 31 32 ar 62 32 34 ar 63 32 36 1 64 33 35 1 65 33 37 1 66 33 67 1 67 35 36 1 68 35 68 1 69 35 69 1 70 37 38 ar 71 37 39 ar 72 38 40 ar 73 38 70 1 74 39 41 ar 75 39 71 1 76 40 42 ar 77 41 42 ar 78 41 73 1 79 43 75 1 80 43 76 1 81 43 77 1