@MOLECULE 4-[(1e)-3-hydroxy-1-propen-1-yl]-2,6-dimethoxyphenyl beta-d-glucopyranoside 50 51 0 0 0 SMALL USER_CHARGES @ATOM 1 O -1.6812 -0.7009 0.2845 O.3 1 UNL11111111 -0.4835 2 O -0.7830 1.3331 0.6151 O.3 1 UNL11111111 -0.3104 3 O -5.2119 0.8289 -1.0713 O.3 1 UNL11111111 -0.5444 4 O -4.4677 -1.9531 -1.5929 O.3 1 UNL11111111 -0.5469 5 O -3.4883 1.3365 0.9865 O.3 1 UNL11111111 -0.5345 6 O -1.0070 -3.3841 0.3209 O.3 1 UNL11111111 -0.5307 7 O 0.6060 0.0260 2.8574 O.3 1 UNL11111111 -0.2915 8 O 0.7560 1.8602 -1.6593 O.3 1 UNL11111111 -0.3525 9 O 7.0758 -1.5658 -1.8109 O.3 1 UNL11111111 -0.5388 10 C -3.8930 0.3531 -1.1502 C.3 1 UNL11111111 0.0446 11 C -3.8688 -1.1047 -0.6383 C.3 1 UNL11111111 0.0476 12 C -2.9505 1.2433 -0.3105 C.3 1 UNL11111111 0.0311 13 C -2.4191 -1.6166 -0.5110 C.3 1 UNL11111111 0.0499 14 C -1.5552 0.5869 -0.3056 C.3 1 UNL11111111 0.2409 15 C -2.3388 -2.9267 0.2872 C.3 1 UNL11111111 -0.0141 16 C 0.5514 0.9919 0.5804 C.ar 1 UNL11111111 -0.0452 17 C 1.1641 0.3816 1.6800 C.ar 1 UNL11111111 0.2428 18 C 1.3350 1.3286 -0.5340 C.ar 1 UNL11111111 0.2148 19 C 2.5368 0.0772 1.6346 C.ar 1 UNL11111111 -0.2849 20 C 2.6894 1.0288 -0.5886 C.ar 1 UNL11111111 -0.2806 21 C 3.2863 0.3825 0.5019 C.ar 1 UNL11111111 0.0891 22 C 4.7069 0.0334 0.4696 C.2 1 UNL11111111 -0.1864 23 C -0.7621 0.3420 3.0837 C.3 1 UNL11111111 -0.2002 24 C 0.3260 3.2091 -1.4841 C.3 1 UNL11111111 -0.1909 25 C 5.2993 -0.4879 -0.6099 C.2 1 UNL11111111 -0.1659 26 C 6.7494 -0.8414 -0.6415 C.3 1 UNL11111111 -0.0161 27 H -3.6636 0.4037 -2.2389 H 1 UNL11111111 0.1627 28 H -4.4323 -1.1990 0.3151 H 1 UNL11111111 0.1375 29 H -2.9332 2.2958 -0.6674 H 1 UNL11111111 0.1689 30 H -1.9337 -1.7281 -1.5064 H 1 UNL11111111 0.1576 31 H -1.0735 0.5105 -1.3021 H 1 UNL11111111 0.1532 32 H -2.8922 -3.7388 -0.2256 H 1 UNL11111111 0.1639 33 H -2.7079 -2.8077 1.3208 H 1 UNL11111111 0.1230 34 H -5.4063 1.1430 -0.1553 H 1 UNL11111111 0.3390 35 H -5.3283 -1.5703 -1.8806 H 1 UNL11111111 0.3368 36 H -3.1216 0.6181 1.5546 H 1 UNL11111111 0.3324 37 H -0.4258 -2.6797 0.6870 H 1 UNL11111111 0.3267 38 H 2.9938 -0.4090 2.4953 H 1 UNL11111111 0.1843 39 H 3.2697 1.2960 -1.4681 H 1 UNL11111111 0.1815 40 H 5.2505 0.2165 1.3984 H 1 UNL11111111 0.1603 41 H -1.4004 -0.2929 2.4611 H 1 UNL11111111 0.1448 42 H -0.8775 0.0922 4.1472 H 1 UNL11111111 0.1481 43 H -0.9640 1.4047 2.9112 H 1 UNL11111111 0.1484 44 H 1.1833 3.8524 -1.2623 H 1 UNL11111111 0.1327 45 H -0.4296 3.2858 -0.6952 H 1 UNL11111111 0.1421 46 H -0.0969 3.4529 -2.4661 H 1 UNL11111111 0.1475 47 H 4.7606 -0.6793 -1.5400 H 1 UNL11111111 0.1687 48 H 7.0725 -1.4234 0.2425 H 1 UNL11111111 0.1274 49 H 7.3915 0.0616 -0.7315 H 1 UNL11111111 0.1566 50 H 6.5699 -2.4017 -1.8534 H 1 UNL11111111 0.3130 @BOND 1 46 24 1 2 27 10 1 3 35 4 1 4 50 9 1 5 9 26 1 6 8 24 1 7 8 18 1 8 4 11 1 9 47 25 1 10 30 13 1 11 24 44 1 12 24 45 1 13 39 20 1 14 31 14 1 15 10 3 1 16 10 11 1 17 10 12 1 18 3 34 1 19 49 26 1 20 29 12 1 21 26 25 1 22 26 48 1 23 11 13 1 24 11 28 1 25 25 22 2 26 20 18 ar 27 20 21 ar 28 18 16 ar 29 13 1 1 30 13 15 1 31 12 14 1 32 12 5 1 33 14 1 1 34 14 2 1 35 32 15 1 36 15 6 1 37 15 33 1 38 6 37 1 39 22 21 1 40 22 40 1 41 21 19 ar 42 16 2 1 43 16 17 ar 44 5 36 1 45 19 17 ar 46 19 38 1 47 17 7 1 48 41 23 1 49 7 23 1 50 43 23 1 51 23 42 1