@MOLECULE 5-hydroxy-2-(4-methoxyphenyl)-4-oxo-4h-chromen-7-yl alpha-l-erythro-hexopyranoside 54 57 0 0 0 SMALL USER_CHARGES @ATOM 1 O -4.2161 0.3603 0.1750 O.3 1 UNL11111111 -0.4114 2 O -2.4725 -0.5943 1.3766 O.3 1 UNL11111111 -0.4522 3 O -3.0438 -2.9291 0.0743 O.3 1 UNL11111111 -0.5586 4 O -4.5525 -2.3867 -2.1818 O.3 1 UNL11111111 -0.5318 5 O -5.8990 -1.5144 1.7089 O.3 1 UNL11111111 -0.5172 6 O -3.4138 1.4954 -2.4619 O.3 1 UNL11111111 -0.5375 7 O 1.9781 0.1741 0.4397 O.3 1 UNL11111111 -0.2697 8 O -1.1474 3.8213 0.2084 O.3 1 UNL11111111 -0.4580 9 O 1.4177 4.1365 -0.3437 O.2 1 UNL11111111 -0.5363 10 O 7.7362 -1.9905 -0.1144 O.3 1 UNL11111111 -0.3065 11 C -4.3766 -2.5052 0.2269 C.3 1 UNL11111111 0.0830 12 C -4.7894 -1.6680 -1.0014 C.3 1 UNL11111111 0.0584 13 C -4.5147 -1.6816 1.5222 C.3 1 UNL11111111 0.0196 14 C -3.9783 -0.3614 -1.0354 C.3 1 UNL11111111 0.0108 15 C -3.8728 -0.2802 1.3473 C.3 1 UNL11111111 0.2809 16 C -4.4519 0.6061 -2.1241 C.3 1 UNL11111111 -0.0156 17 C -1.5666 0.3531 1.0372 C.ar 1 UNL11111111 0.4192 18 C -0.2663 -0.1672 0.9186 C.ar 1 UNL11111111 -0.4360 19 C -1.8710 1.6941 0.8205 C.ar 1 UNL11111111 -0.4682 20 C 0.7336 0.7233 0.5459 C.ar 1 UNL11111111 0.3819 21 C 0.4944 2.0784 0.2897 C.ar 1 UNL11111111 -0.4786 22 C -0.8290 2.5499 0.4394 C.ar 1 UNL11111111 0.4669 23 C 1.5883 2.9453 -0.1231 C.2 1 UNL11111111 0.5589 24 C 3.0188 0.9747 0.0290 C.2 1 UNL11111111 0.3260 25 C 2.8788 2.2853 -0.2521 C.2 1 UNL11111111 -0.4394 26 C 4.2298 0.1661 -0.0305 C.ar 1 UNL11111111 -0.1733 27 C 5.4721 0.7537 0.2590 C.ar 1 UNL11111111 -0.0327 28 C 4.1563 -1.1901 -0.3625 C.ar 1 UNL11111111 -0.0148 29 C 6.6281 -0.0040 0.2163 C.ar 1 UNL11111111 -0.2690 30 C 5.3081 -1.9686 -0.4115 C.ar 1 UNL11111111 -0.3222 31 C 6.5345 -1.3684 -0.1178 C.ar 1 UNL11111111 0.2886 32 C 7.7580 -3.3808 -0.4139 C.3 1 UNL11111111 -0.2044 33 H -4.9528 -3.4576 0.2767 H 1 UNL11111111 0.1716 34 H -5.8876 -1.4804 -1.0104 H 1 UNL11111111 0.1712 35 H -4.0617 -2.2225 2.3832 H 1 UNL11111111 0.1527 36 H -2.8868 -0.5542 -1.1360 H 1 UNL11111111 0.1529 37 H -4.1208 0.4536 2.1415 H 1 UNL11111111 0.1524 38 H -5.3449 1.1772 -1.8107 H 1 UNL11111111 0.1352 39 H -4.6546 0.0702 -3.0746 H 1 UNL11111111 0.1685 40 H -2.4147 -2.2138 0.3228 H 1 UNL11111111 0.3401 41 H -3.6841 -2.8525 -2.1283 H 1 UNL11111111 0.3337 42 H -6.0976 -1.2148 2.6213 H 1 UNL11111111 0.3208 43 H -3.1274 2.0114 -1.6762 H 1 UNL11111111 0.3244 44 H -0.0564 -1.2117 1.1186 H 1 UNL11111111 0.1986 45 H -2.8741 2.0957 0.9282 H 1 UNL11111111 0.2060 46 H 3.7080 2.9004 -0.5962 H 1 UNL11111111 0.2038 47 H -0.3125 4.3592 -0.0693 H 1 UNL11111111 0.3924 48 H 5.5244 1.8125 0.5251 H 1 UNL11111111 0.1655 49 H 3.1880 -1.6454 -0.5880 H 1 UNL11111111 0.1664 50 H 7.6015 0.4286 0.4370 H 1 UNL11111111 0.1789 51 H 5.2406 -3.0191 -0.6734 H 1 UNL11111111 0.1695 52 H 7.4164 -3.5646 -1.4374 H 1 UNL11111111 0.1385 53 H 7.1727 -3.9490 0.3160 H 1 UNL11111111 0.1382 54 H 8.8269 -3.6191 -0.3171 H 1 UNL11111111 0.1582 @BOND 1 39 16 1 2 6 16 1 3 6 43 1 4 4 41 1 5 4 12 1 6 16 38 1 7 16 14 1 8 52 32 1 9 36 14 1 10 14 12 1 11 14 1 1 12 34 12 1 13 12 11 1 14 51 30 1 15 46 25 1 16 49 28 1 17 32 54 1 18 32 10 1 19 32 53 1 20 30 28 ar 21 30 31 ar 22 28 26 ar 23 9 23 2 24 25 23 1 25 25 24 2 26 23 21 1 27 31 10 1 28 31 29 ar 29 47 8 1 30 26 24 1 31 26 27 ar 32 24 7 1 33 3 11 1 34 3 40 1 35 1 15 1 36 8 22 1 37 29 27 ar 38 29 50 1 39 11 33 1 40 11 13 1 41 27 48 1 42 21 22 ar 43 21 20 ar 44 22 19 ar 45 7 20 1 46 20 18 ar 47 19 45 1 48 19 17 ar 49 18 17 ar 50 18 44 1 51 17 2 1 52 15 2 1 53 15 13 1 54 15 37 1 55 13 5 1 56 13 35 1 57 5 42 1