@MOLECULE (2z)-2-[(5r)-5-(2-methyl-1-propen-1-yl)-2-oxodihydro-3(2h)-furanylidene]ethyl beta-d-glucopyranoside 48 49 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.5550 0.6286 0.2455 O.3 1 UNL1111111111 -0.4705 2 O -1.0833 -1.0437 -0.0416 O.3 1 UNL1111111111 -0.3796 3 O -5.6853 -2.0507 0.4928 O.3 1 UNL1111111111 -0.5138 4 O -6.1568 0.7997 0.5449 O.3 1 UNL1111111111 -0.5234 5 O -3.1642 -2.8360 -0.7188 O.3 1 UNL1111111111 -0.5040 6 O -3.0848 3.4742 0.0174 O.3 1 UNL1111111111 -0.5365 7 O 4.0396 0.9985 -1.2430 O.3 1 UNL1111111111 -0.3952 8 O 1.9296 1.7021 -1.3916 O.2 1 UNL1111111111 -0.4624 9 C -4.7756 -1.1334 -0.0460 C.3 1 UNL1111111111 0.0256 10 C -4.8810 0.2307 0.6609 C.3 1 UNL1111111111 0.0443 11 C -3.3344 -1.6723 0.0414 C.3 1 UNL1111111111 0.0308 12 C -3.8381 1.1895 0.0447 C.3 1 UNL1111111111 0.0230 13 C -2.3388 -0.5916 -0.4557 C.3 1 UNL1111111111 0.2701 14 C -3.7816 2.5278 0.7933 C.3 1 UNL1111111111 -0.0109 15 C -0.0299 -0.1144 -0.3179 C.3 1 UNL1111111111 -0.0557 16 C 3.7458 -1.0333 0.0186 C.3 1 UNL1111111111 -0.3159 17 C 2.4306 -0.3966 -0.2764 C.2 1 UNL1111111111 -0.1870 18 C 4.7814 -0.0977 -0.6636 C.3 1 UNL1111111111 0.1372 19 C 1.2158 -0.8551 0.0278 C.2 1 UNL1111111111 -0.0692 20 C 2.6990 0.8642 -1.0060 C.2 1 UNL1111111111 0.5989 21 C 5.7562 0.4941 0.2919 C.2 1 UNL1111111111 -0.2941 22 C 6.8053 -0.1615 0.8033 C.2 1 UNL1111111111 0.0862 23 C 7.7513 0.5042 1.7475 C.3 1 UNL1111111111 -0.4599 24 C 7.1296 -1.5818 0.4794 C.3 1 UNL1111111111 -0.4655 25 H -5.1224 -1.0707 -1.1059 H 1 UNL1111111111 0.1501 26 H -4.7476 0.1381 1.7630 H 1 UNL1111111111 0.1617 27 H -3.0643 -2.0051 1.0711 H 1 UNL1111111111 0.1746 28 H -4.0112 1.3573 -1.0403 H 1 UNL1111111111 0.1408 29 H -2.3678 -0.4039 -1.5467 H 1 UNL1111111111 0.1174 30 H -3.2980 2.4266 1.7816 H 1 UNL1111111111 0.1329 31 H -4.7925 2.9681 0.9072 H 1 UNL1111111111 0.1635 32 H -5.5081 -2.2215 1.4435 H 1 UNL1111111111 0.3208 33 H -6.5878 0.5681 -0.3043 H 1 UNL1111111111 0.3217 34 H -3.7059 -2.8249 -1.5353 H 1 UNL1111111111 0.3121 35 H -0.0622 0.2028 -1.3809 H 1 UNL1111111111 0.1576 36 H -0.1636 0.7864 0.3192 H 1 UNL1111111111 0.1662 37 H 3.9306 -1.1058 1.1088 H 1 UNL1111111111 0.1724 38 H 3.8119 -2.0629 -0.3743 H 1 UNL1111111111 0.1609 39 H 5.2723 -0.5749 -1.5415 H 1 UNL1111111111 0.1461 40 H 1.0588 -1.8043 0.5512 H 1 UNL1111111111 0.1769 41 H -2.1605 3.1757 -0.1287 H 1 UNL1111111111 0.3243 42 H 5.5560 1.5388 0.5375 H 1 UNL1111111111 0.1787 43 H 6.2429 -2.1768 0.2275 H 1 UNL1111111111 0.1527 44 H 7.6269 -2.0938 1.3148 H 1 UNL1111111111 0.1565 45 H 7.8138 -1.6352 -0.3820 H 1 UNL1111111111 0.1639 46 H 7.5867 1.5882 1.8219 H 1 UNL1111111111 0.1593 47 H 8.7967 0.3594 1.4389 H 1 UNL1111111111 0.1581 48 H 7.6513 0.0933 2.7626 H 1 UNL1111111111 0.1584 @BOND 1 1 12 1 2 1 13 1 3 2 13 1 4 2 15 1 5 3 9 1 6 3 32 1 7 4 10 1 8 4 33 1 9 5 11 1 10 5 34 1 11 6 14 1 12 6 41 1 13 7 18 1 14 7 20 1 15 8 20 2 16 9 10 1 17 9 11 1 18 9 25 1 19 10 12 1 20 10 26 1 21 11 13 1 22 11 27 1 23 12 14 1 24 12 28 1 25 13 29 1 26 14 30 1 27 14 31 1 28 15 19 1 29 15 35 1 30 15 36 1 31 16 17 1 32 16 18 1 33 16 37 1 34 16 38 1 35 17 19 2 36 17 20 1 37 18 21 1 38 18 39 1 39 19 40 1 40 21 22 2 41 21 42 1 42 22 23 1 43 22 24 1 44 23 46 1 45 23 47 1 46 23 48 1 47 24 43 1 48 24 44 1 49 24 45 1