@MOLECULE 5-hydroxy-2-[(5r)-5-(4-hydroxybenzyl)-4-oxo-4,5-dihydro-2-furanyl]phenyl beta-d-glucopyranoside 54 57 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.3770 -1.1632 -0.1274 O.3 1 UNL111111 -0.4710 2 O -0.8591 0.4721 0.1218 O.3 1 UNL111111 -0.3378 3 O 0.8753 -3.5528 -0.7037 O.3 1 UNL111111 -0.5546 4 O -1.7996 -4.7222 -0.5978 O.3 1 UNL111111 -0.5330 5 O 0.6523 -0.8930 -2.0082 O.3 1 UNL111111 -0.5523 6 O -5.0922 -2.3221 -0.2895 O.3 1 UNL111111 -0.5335 7 O 1.1223 1.8487 0.0622 O.2 1 UNL111111 -0.2734 8 O 3.2193 3.9439 -1.8386 O.2 1 UNL111111 -0.4130 9 O -4.9547 2.5361 1.3127 O.3 1 UNL111111 -0.3793 10 O 3.9303 -3.6357 1.5096 O.3 1 UNL111111 -0.3564 11 C -0.3079 -2.9043 -1.1184 C.3 1 UNL111111 0.0440 12 C -1.5081 -3.3853 -0.2890 C.3 1 UNL111111 0.0363 13 C -0.0176 -1.4137 -0.8772 C.3 1 UNL111111 0.0592 14 C -2.7088 -2.4662 -0.5659 C.3 1 UNL111111 0.0272 15 C -1.2882 -0.5397 -0.7760 C.3 1 UNL111111 0.3027 16 C -3.9238 -2.8419 0.2968 C.3 1 UNL111111 -0.0163 17 C -1.6840 1.5370 0.3213 C.ar 1 UNL111111 0.2333 18 C -1.0357 2.8087 0.2187 C.ar 1 UNL111111 -0.0612 19 C 2.3854 2.0058 -0.6279 C.3 1 UNL111111 -0.0331 20 C 0.3241 2.9164 -0.2464 C.2 1 UNL111111 0.2772 21 C 3.4855 1.8340 0.4069 C.3 1 UNL111111 -0.3082 22 C -2.9988 1.4125 0.6767 C.ar 1 UNL111111 -0.2966 23 C 2.3188 3.4109 -1.2560 C.2 1 UNL111111 0.4473 24 C 0.9554 3.8726 -0.9835 C.2 1 UNL111111 -0.4327 25 C -1.7735 3.9769 0.5376 C.ar 1 UNL111111 -0.1184 26 C -3.7800 2.6067 0.9952 C.ar 1 UNL111111 0.4012 27 C 3.6251 0.3865 0.7222 C.ar 1 UNL111111 0.0492 28 C -3.0856 3.9027 0.9188 C.ar 1 UNL111111 -0.2007 29 C 2.6648 -0.2661 1.5243 C.ar 1 UNL111111 -0.1752 30 C 4.7170 -0.3656 0.1672 C.ar 1 UNL111111 -0.2125 31 C 2.7296 -1.6112 1.8112 C.ar 1 UNL111111 -0.2022 32 C 4.7128 -1.6534 0.4857 C.ar 1 UNL111111 -0.0331 33 C 3.8274 -2.4447 1.2800 C.ar 1 UNL111111 0.3625 34 H -0.4377 -3.1192 -2.2045 H 1 UNL111111 0.1466 35 H -1.2604 -3.4330 0.7996 H 1 UNL111111 0.1795 36 H 0.6319 -1.2792 0.0261 H 1 UNL111111 0.1737 37 H -2.9835 -2.4365 -1.6432 H 1 UNL111111 0.1439 38 H -1.6298 -0.1083 -1.7381 H 1 UNL111111 0.1456 39 H -3.8190 -2.4777 1.3352 H 1 UNL111111 0.1390 40 H -4.0942 -3.9374 0.2977 H 1 UNL111111 0.1636 41 H 0.6928 -4.4930 -0.4747 H 1 UNL111111 0.3436 42 H -2.1092 -4.8266 -1.5223 H 1 UNL111111 0.3197 43 H 1.5228 -1.3419 -2.1076 H 1 UNL111111 0.3385 44 H 2.3858 1.2138 -1.4107 H 1 UNL111111 0.1831 45 H -5.1151 -1.3447 -0.1995 H 1 UNL111111 0.3223 46 H 4.4330 2.2774 0.0234 H 1 UNL111111 0.1826 47 H 3.2462 2.4159 1.3270 H 1 UNL111111 0.1790 48 H -3.5005 0.4497 0.7560 H 1 UNL111111 0.2039 49 H 0.5786 4.8041 -1.3496 H 1 UNL111111 0.1954 50 H -1.2683 4.9449 0.4758 H 1 UNL111111 0.1739 51 H -3.6709 4.7840 1.1756 H 1 UNL111111 0.1802 52 H 1.8335 0.3281 1.9188 H 1 UNL111111 0.1778 53 H 5.4674 0.1085 -0.4611 H 1 UNL111111 0.1870 54 H 1.9876 -2.1105 2.4263 H 1 UNL111111 0.1758 @BOND 1 10 33 1 2 32 33 ar 3 32 30 ar 4 33 31 ar 5 53 30 1 6 30 27 ar 7 41 3 1 8 3 11 1 9 31 54 1 10 31 29 ar 11 27 29 ar 12 27 21 1 13 43 5 1 14 34 11 1 15 29 52 1 16 4 42 1 17 4 12 1 18 11 12 1 19 11 13 1 20 46 21 1 21 5 13 1 22 21 47 1 23 21 19 1 24 36 13 1 25 35 12 1 26 44 19 1 27 12 14 1 28 13 15 1 29 19 23 1 30 19 7 1 31 8 23 2 32 14 37 1 33 14 1 1 34 14 16 1 35 23 24 1 36 7 20 1 37 40 16 1 38 15 38 1 39 15 1 1 40 15 2 1 41 2 17 1 42 16 39 1 43 16 6 1 44 20 24 2 45 20 18 1 46 24 49 1 47 6 45 1 48 17 18 ar 49 17 22 ar 50 18 25 ar 51 48 22 1 52 22 26 ar 53 25 50 1 54 25 28 ar 55 26 28 ar 56 26 9 1 57 28 51 1