@MOLECULE 5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2h-chromen-7-yl beta-l-glucopyranoside 53 56 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.7854 -0.6301 -0.2018 O.3 1 UNL1111111111 -0.4421 2 O -2.3666 1.5474 -0.5119 O.3 1 UNL1111111111 -0.3203 3 O -6.6932 0.0915 -0.8737 O.3 1 UNL1111111111 -0.5551 4 O -5.8567 -2.5644 0.0771 O.3 1 UNL1111111111 -0.5383 5 O -5.0159 2.0878 0.4968 O.3 1 UNL1111111111 -0.5431 6 O -1.8291 -3.2296 0.7474 O.3 1 UNL1111111111 -0.5367 7 O 1.4903 0.1182 1.8462 O.3 1 UNL1111111111 -0.3312 8 O 3.9045 2.6711 -0.2503 O.2 1 UNL1111111111 -0.4272 9 O 1.7973 3.4001 -1.5788 O.3 1 UNL1111111111 -0.3938 10 O 5.9222 -3.4136 -1.5748 O.3 1 UNL1111111111 -0.4740 11 C -5.5990 -0.1745 -0.0199 C.3 1 UNL1111111111 0.0401 12 C -4.9925 -1.5471 -0.3583 C.3 1 UNL1111111111 0.0379 13 C -4.6222 0.9872 -0.2932 C.3 1 UNL1111111111 0.0662 14 C -3.6025 -1.6781 0.2865 C.3 1 UNL1111111111 0.0130 15 C -3.1986 0.6617 0.2118 C.3 1 UNL1111111111 0.2812 16 C -2.8642 -2.9477 -0.1638 C.3 1 UNL1111111111 -0.0117 17 C 3.7839 0.9049 1.3184 C.3 1 UNL1111111111 -0.2703 18 C -1.0345 1.5335 -0.2541 C.ar 1 UNL1111111111 0.4198 19 C 1.7370 1.8038 0.1269 C.ar 1 UNL1111111111 -0.4419 20 C 0.9656 0.9145 0.8922 C.ar 1 UNL1111111111 0.4059 21 C 2.7652 0.4892 2.3709 C.3 1 UNL1111111111 -0.0339 22 C 3.1774 1.8948 0.3155 C.2 1 UNL1111111111 0.5139 23 C -0.4108 0.7457 0.7131 C.ar 1 UNL1111111111 -0.4771 24 C -0.3252 2.4433 -1.0502 C.ar 1 UNL1111111111 -0.4958 25 C 1.0510 2.5577 -0.8470 C.ar 1 UNL1111111111 0.4442 26 C 4.3496 -0.2464 0.5427 C.ar 1 UNL1111111111 -0.0768 27 C 5.7141 -0.2460 0.2408 C.ar 1 UNL1111111111 -0.0737 28 C 3.5396 -1.2992 0.1021 C.ar 1 UNL1111111111 -0.0851 29 C 6.2827 -1.2955 -0.4747 C.ar 1 UNL1111111111 -0.3091 30 C 4.0823 -2.3584 -0.6119 C.ar 1 UNL1111111111 -0.2453 31 C 5.4543 -2.3406 -0.8849 C.ar 1 UNL1111111111 0.2917 32 H -5.9740 -0.1367 1.0292 H 1 UNL1111111111 0.1436 33 H -4.9593 -1.7118 -1.4623 H 1 UNL1111111111 0.1779 34 H -4.6209 1.2752 -1.3700 H 1 UNL1111111111 0.1690 35 H -3.6503 -1.6273 1.3969 H 1 UNL1111111111 0.1418 36 H -3.0677 0.7814 1.3058 H 1 UNL1111111111 0.1441 37 H -3.5182 -3.8400 -0.1092 H 1 UNL1111111111 0.1595 38 H -2.4517 -2.8417 -1.1851 H 1 UNL1111111111 0.1409 39 H -7.2682 -0.7036 -0.9425 H 1 UNL1111111111 0.3372 40 H -5.8981 -2.6212 1.0548 H 1 UNL1111111111 0.3192 41 H -5.8870 2.4256 0.1867 H 1 UNL1111111111 0.3378 42 H 4.6198 1.4410 1.8475 H 1 UNL1111111111 0.1814 43 H 3.0604 -0.4396 2.9006 H 1 UNL1111111111 0.1602 44 H 2.5794 1.2972 3.1047 H 1 UNL1111111111 0.1362 45 H -0.9486 0.0237 1.3140 H 1 UNL1111111111 0.1921 46 H -0.8470 3.0337 -1.7932 H 1 UNL1111111111 0.1906 47 H -1.1445 -2.5240 0.7138 H 1 UNL1111111111 0.3266 48 H 6.3419 0.5886 0.5568 H 1 UNL1111111111 0.1568 49 H 2.4691 -1.2933 0.3154 H 1 UNL1111111111 0.1667 50 H 7.3409 -1.2942 -0.7093 H 1 UNL1111111111 0.1604 51 H 3.4703 -3.1863 -0.9598 H 1 UNL1111111111 0.1768 52 H 1.2580 3.8855 -2.2608 H 1 UNL1111111111 0.3232 53 H 6.8887 -3.3454 -1.7610 H 1 UNL1111111111 0.3266 @BOND 1 1 14 1 2 1 15 1 3 2 15 1 4 2 18 1 5 3 11 1 6 3 39 1 7 4 12 1 8 4 40 1 9 5 13 1 10 5 41 1 11 6 16 1 12 6 47 1 13 7 20 1 14 7 21 1 15 8 22 2 16 9 25 1 17 9 52 1 18 10 31 1 19 10 53 1 20 11 12 1 21 11 13 1 22 11 32 1 23 12 14 1 24 12 33 1 25 13 15 1 26 13 34 1 27 14 16 1 28 14 35 1 29 15 36 1 30 16 37 1 31 16 38 1 32 17 21 1 33 17 22 1 34 17 26 1 35 17 42 1 36 18 23 ar 37 18 24 ar 38 19 20 ar 39 19 22 1 40 19 25 ar 41 20 23 ar 42 21 43 1 43 21 44 1 44 23 45 1 45 24 25 ar 46 24 46 1 47 26 27 ar 48 26 28 ar 49 27 29 ar 50 27 48 1 51 28 30 ar 52 28 49 1 53 29 31 ar 54 29 50 1 55 30 31 ar 56 30 51 1