@MOLECULE 3-hydroxy-2-[3-(4-hydroxyphenyl)propanoyl]-5-methoxyphenyl beta-d-glucopyranoside 58 60 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.4480 1.3092 0.3628 O.3 1 UNL1111111111 -0.4753 2 O 1.1837 0.2231 -1.4256 O.3 1 UNL1111111111 -0.3700 3 O -3.1133 1.4910 -1.7018 O.3 1 UNL1111111111 -0.5632 4 O -2.9908 2.2251 1.1286 O.3 1 UNL1111111111 -0.5342 5 O -0.5167 2.2390 -2.9305 O.3 1 UNL1111111111 -0.5505 6 O 0.6406 2.1552 3.0939 O.3 1 UNL1111111111 -0.5388 7 O 5.5802 1.1545 0.3886 O.3 1 UNL1111111111 -0.3030 8 O 3.6099 -3.0836 0.7968 O.3 1 UNL1111111111 -0.4393 9 O 1.3871 -3.3667 -1.1527 O.2 1 UNL1111111111 -0.4362 10 O -5.7950 0.1095 0.4754 O.3 1 UNL1111111111 -0.4831 11 C -1.9743 2.0050 -1.0505 C.3 1 UNL1111111111 0.0460 12 C -1.9416 1.6084 0.4290 C.3 1 UNL1111111111 0.0198 13 C -0.7804 1.4062 -1.8196 C.3 1 UNL1111111111 0.0580 14 C -0.5844 2.0041 1.0276 C.3 1 UNL1111111111 0.0348 15 C 0.5505 1.4396 -1.0394 C.3 1 UNL1111111111 0.3076 16 C -0.4520 1.5167 2.4789 C.3 1 UNL1111111111 -0.0105 17 C 2.3179 -0.0955 -0.7287 C.ar 1 UNL1111111111 0.4053 18 C 2.3996 -1.4191 -0.2901 C.ar 1 UNL1111111111 -0.3956 19 C 3.3512 0.8251 -0.5458 C.ar 1 UNL1111111111 -0.4756 20 C 1.2851 -2.3746 -0.4809 C.2 1 UNL1111111111 0.5393 21 C 3.5859 -1.8111 0.3485 C.ar 1 UNL1111111111 0.4135 22 C 0.0165 -1.9976 0.2429 C.3 1 UNL1111111111 -0.3726 23 C 4.5054 0.3851 0.1067 C.ar 1 UNL1111111111 0.3752 24 C 4.6469 -0.9335 0.5645 C.ar 1 UNL1111111111 -0.4690 25 C -1.1352 -2.9658 -0.0478 C.3 1 UNL1111111111 -0.2595 26 C -2.4313 -2.2399 0.1303 C.ar 1 UNL1111111111 -0.0538 27 C -3.1901 -1.8891 -0.9918 C.ar 1 UNL1111111111 -0.1034 28 C -2.8530 -1.8587 1.4057 C.ar 1 UNL1111111111 -0.1139 29 C -4.3376 -1.1201 -0.8546 C.ar 1 UNL1111111111 -0.2446 30 C -3.9951 -1.0789 1.5693 C.ar 1 UNL1111111111 -0.2944 31 C 5.5691 2.4979 -0.0805 C.3 1 UNL1111111111 -0.2009 32 C -4.7061 -0.7033 0.4291 C.ar 1 UNL1111111111 0.2645 33 H -2.0164 3.1118 -1.1847 H 1 UNL1111111111 0.1477 34 H -2.1622 0.5189 0.5701 H 1 UNL1111111111 0.1879 35 H -1.0167 0.3720 -2.1744 H 1 UNL1111111111 0.1754 36 H -0.3882 3.0957 0.9534 H 1 UNL1111111111 0.1411 37 H 1.1881 2.3163 -1.2748 H 1 UNL1111111111 0.1474 38 H -1.3242 1.8219 3.0899 H 1 UNL1111111111 0.1590 39 H -0.3217 0.4178 2.5312 H 1 UNL1111111111 0.1368 40 H -3.8425 1.3107 -1.0609 H 1 UNL1111111111 0.3495 41 H -2.9441 3.2028 1.0693 H 1 UNL1111111111 0.3186 42 H -1.2526 2.1711 -3.5801 H 1 UNL1111111111 0.3402 43 H 1.4730 1.9051 2.6350 H 1 UNL1111111111 0.3257 44 H 3.2549 1.8365 -0.9135 H 1 UNL1111111111 0.1824 45 H 0.2141 -1.9399 1.3312 H 1 UNL1111111111 0.1645 46 H -0.2674 -0.9638 -0.0510 H 1 UNL1111111111 0.1833 47 H -1.0717 -3.8552 0.6100 H 1 UNL1111111111 0.1539 48 H -1.0349 -3.3777 -1.0768 H 1 UNL1111111111 0.1709 49 H 5.5560 -1.2400 1.0664 H 1 UNL1111111111 0.1882 50 H 4.4831 -3.3260 1.2001 H 1 UNL1111111111 0.3327 51 H -2.8727 -2.2112 -1.9845 H 1 UNL1111111111 0.1616 52 H -2.2801 -2.1656 2.2802 H 1 UNL1111111111 0.1548 53 H -4.9384 -0.8340 -1.7149 H 1 UNL1111111111 0.1772 54 H -4.3170 -0.7646 2.5562 H 1 UNL1111111111 0.1614 55 H 4.7608 3.0672 0.3885 H 1 UNL1111111111 0.1367 56 H 6.5468 2.8672 0.2588 H 1 UNL1111111111 0.1538 57 H 5.5056 2.5298 -1.1730 H 1 UNL1111111111 0.1410 58 H -5.9933 0.4191 1.3911 H 1 UNL1111111111 0.3317 @BOND 1 1 14 1 2 1 15 1 3 2 15 1 4 2 17 1 5 3 11 1 6 3 40 1 7 4 12 1 8 4 41 1 9 5 13 1 10 5 42 1 11 6 16 1 12 6 43 1 13 7 23 1 14 7 31 1 15 8 21 1 16 8 50 1 17 9 20 2 18 10 32 1 19 10 58 1 20 11 12 1 21 11 13 1 22 11 33 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 37 1 30 16 38 1 31 16 39 1 32 17 18 ar 33 17 19 ar 34 18 20 1 35 18 21 ar 36 19 23 ar 37 19 44 1 38 20 22 1 39 21 24 ar 40 22 25 1 41 22 45 1 42 22 46 1 43 23 24 ar 44 24 49 1 45 25 26 1 46 25 47 1 47 25 48 1 48 26 27 ar 49 26 28 ar 50 27 29 ar 51 27 51 1 52 28 30 ar 53 28 52 1 54 29 32 ar 55 29 53 1 56 30 32 ar 57 30 54 1 58 31 55 1 59 31 56 1 60 31 57 1