@MOLECULE (2s)-7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2h-chromen-5-yl beta-d-glucopyranoside 57 60 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.3081 0.3691 0.4235 O.3 1 UNL1111111111 -0.4713 2 O -2.4528 0.4274 -1.6828 O.3 1 UNL1111111111 -0.3907 3 O -5.0383 -3.2454 -0.2105 O.3 1 UNL1111111111 -0.5625 4 O -5.8578 -1.5943 2.0154 O.3 1 UNL1111111111 -0.5502 5 O -4.4182 -1.5095 -2.4757 O.3 1 UNL1111111111 -0.5544 6 O 1.9647 1.0877 -0.0066 O.3 1 UNL1111111111 -0.3162 7 O -3.5794 1.8278 2.7612 O.3 1 UNL1111111111 -0.5373 8 O -0.7188 -1.5318 -1.6191 O.2 1 UNL1111111111 -0.4730 9 O -0.9992 4.6362 0.0836 O.3 1 UNL1111111111 -0.4487 10 O 7.7243 -0.9245 0.4472 O.3 1 UNL1111111111 -0.3397 11 O 6.6049 0.7926 -1.2998 O.3 1 UNL1111111111 -0.4461 12 C -5.0066 -1.8328 -0.2320 C.3 1 UNL1111111111 0.0669 13 C -4.6978 -1.4388 1.2269 C.3 1 UNL1111111111 0.0706 14 C -3.8963 -1.3486 -1.1760 C.3 1 UNL1111111111 0.0243 15 C -4.3641 0.0629 1.3223 C.3 1 UNL1111111111 0.0550 16 C -3.6292 0.1524 -0.9350 C.3 1 UNL1111111111 0.2940 17 C -3.7744 0.4336 2.6913 C.3 1 UNL1111111111 -0.0115 18 C -1.5338 1.2209 -1.0637 C.ar 1 UNL1111111111 0.4559 19 C -0.2616 0.6644 -0.8567 C.ar 1 UNL1111111111 -0.4435 20 C 2.1265 -0.3384 0.1413 C.3 1 UNL1111111111 0.1259 21 C 1.5304 -1.0799 -1.0474 C.3 1 UNL1111111111 -0.4379 22 C 0.7185 1.5079 -0.2978 C.ar 1 UNL1111111111 0.3853 23 C 0.0663 -0.7125 -1.2090 C.2 1 UNL1111111111 0.5371 24 C -1.8362 2.5467 -0.7565 C.ar 1 UNL1111111111 -0.4931 25 C 3.6121 -0.5201 0.2440 C.ar 1 UNL1111111111 -0.0470 26 C 0.4789 2.8501 -0.0011 C.ar 1 UNL1111111111 -0.4109 27 C -0.8047 3.3419 -0.2424 C.ar 1 UNL1111111111 0.4119 28 C 4.4542 0.2218 -0.5885 C.ar 1 UNL1111111111 -0.1797 29 C 4.1334 -1.4102 1.1783 C.ar 1 UNL1111111111 -0.1613 30 C 5.8283 0.0530 -0.4684 C.ar 1 UNL1111111111 0.1958 31 C 5.5155 -1.5853 1.2944 C.ar 1 UNL1111111111 -0.2206 32 C 6.3625 -0.8534 0.4749 C.ar 1 UNL1111111111 0.1105 33 C 8.3487 -1.5966 1.5322 C.3 1 UNL1111111111 -0.1867 34 H -6.0091 -1.4721 -0.5587 H 1 UNL1111111111 0.1536 35 H -3.8911 -2.0815 1.6452 H 1 UNL1111111111 0.1515 36 H -2.9574 -1.9450 -1.0663 H 1 UNL1111111111 0.1854 37 H -5.2459 0.6966 1.0827 H 1 UNL1111111111 0.1530 38 H -4.4227 0.8450 -1.2742 H 1 UNL1111111111 0.1369 39 H -2.8159 -0.0802 2.8830 H 1 UNL1111111111 0.1300 40 H -4.4960 0.2194 3.5046 H 1 UNL1111111111 0.1629 41 H -5.0711 -3.5904 -1.1315 H 1 UNL1111111111 0.3407 42 H -6.2094 -2.5077 1.9037 H 1 UNL1111111111 0.3392 43 H -3.6934 -1.3939 -3.1345 H 1 UNL1111111111 0.3431 44 H 1.6056 -0.6065 1.0918 H 1 UNL1111111111 0.1447 45 H 1.6472 -2.1762 -0.9323 H 1 UNL1111111111 0.1880 46 H 2.0683 -0.8285 -1.9878 H 1 UNL1111111111 0.1933 47 H -2.8307 2.9378 -0.9215 H 1 UNL1111111111 0.1847 48 H -2.9720 2.1129 2.0425 H 1 UNL1111111111 0.3243 49 H 1.2568 3.4843 0.4163 H 1 UNL1111111111 0.2084 50 H 4.0546 0.9354 -1.3117 H 1 UNL1111111111 0.1932 51 H 3.4711 -1.9795 1.8274 H 1 UNL1111111111 0.1570 52 H 5.9083 -2.2890 2.0221 H 1 UNL1111111111 0.1625 53 H -1.9089 4.9555 -0.1485 H 1 UNL1111111111 0.3340 54 H 7.5687 0.6388 -1.1201 H 1 UNL1111111111 0.3374 55 H 8.1294 -2.6684 1.4951 H 1 UNL1111111111 0.1347 56 H 8.0548 -1.1600 2.4920 H 1 UNL1111111111 0.1365 57 H 9.4144 -1.4141 1.3343 H 1 UNL1111111111 0.1542 @BOND 1 1 15 1 2 1 16 1 3 2 16 1 4 2 18 1 5 3 12 1 6 3 41 1 7 4 13 1 8 4 42 1 9 5 14 1 10 5 43 1 11 6 20 1 12 6 22 1 13 7 17 1 14 7 48 1 15 8 23 2 16 9 27 1 17 9 53 1 18 10 32 1 19 10 33 1 20 11 30 1 21 11 54 1 22 12 13 1 23 12 14 1 24 12 34 1 25 13 15 1 26 13 35 1 27 14 16 1 28 14 36 1 29 15 17 1 30 15 37 1 31 16 38 1 32 17 39 1 33 17 40 1 34 18 19 ar 35 18 24 ar 36 19 22 ar 37 19 23 1 38 20 21 1 39 20 25 1 40 20 44 1 41 21 23 1 42 21 45 1 43 21 46 1 44 22 26 ar 45 24 27 ar 46 24 47 1 47 25 28 ar 48 25 29 ar 49 26 27 ar 50 26 49 1 51 28 30 ar 52 28 50 1 53 29 31 ar 54 29 51 1 55 30 32 ar 56 31 32 ar 57 31 52 1 58 33 55 1 59 33 56 1 60 33 57 1