@MOLECULE 2-[(1s,2s)-1-hydroxy-4-(hydroxymethyl)-2,6-dimethyl-3-oxo-2,3-dihydro-1h-inden-5-yl]ethyl beta-d-glucopyranoside 57 59 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.1801 -0.6951 0.3387 O.3 1 UNL1111111111 -0.4822 2 O -1.9583 0.8877 -0.6650 O.3 1 UNL1111111111 -0.3925 3 O -6.4216 1.2640 -1.1100 O.3 1 UNL1111111111 -0.5554 4 O -6.7823 -1.1532 0.4952 O.3 1 UNL1111111111 -0.5399 5 O -4.1278 2.7428 0.1113 O.3 1 UNL1111111111 -0.5489 6 O 6.2373 -1.5016 -1.3269 O.3 1 UNL1111111111 -0.5307 7 O 4.9986 1.7278 1.5694 O.2 1 UNL1111111111 -0.4713 8 O -3.5254 -3.0431 2.1044 O.3 1 UNL1111111111 -0.5384 9 O 2.9987 3.1430 0.4678 O.3 1 UNL1111111111 -0.5395 10 C -5.5716 0.8510 -0.0578 C.3 1 UNL1111111111 0.0419 11 C -5.5467 -0.6819 0.0217 C.3 1 UNL1111111111 0.0372 12 C -4.1979 1.4379 -0.4282 C.3 1 UNL1111111111 0.0592 13 C -4.3871 -1.1266 0.9280 C.3 1 UNL1111111111 0.0237 14 C -3.0070 0.7156 0.2452 C.3 1 UNL1111111111 0.3001 15 C 6.0295 -0.3139 0.8069 C.3 1 UNL1111111111 -0.2542 16 C 5.4776 -1.4142 -0.1413 C.3 1 UNL1111111111 0.1261 17 C 4.1097 -0.9240 -0.5535 C.ar 1 UNL1111111111 0.0227 18 C 3.7610 0.2726 0.0987 C.ar 1 UNL1111111111 -0.2274 19 C 2.5121 0.8492 -0.0986 C.ar 1 UNL1111111111 0.0425 20 C 1.6298 0.2335 -1.0078 C.ar 1 UNL1111111111 -0.0723 21 C 4.9041 0.7168 0.9200 C.2 1 UNL1111111111 0.4999 22 C 0.2843 0.8330 -1.2729 C.3 1 UNL1111111111 -0.3024 23 C 2.0002 -0.9432 -1.6755 C.ar 1 UNL1111111111 0.0854 24 C 3.2513 -1.5350 -1.4400 C.ar 1 UNL1111111111 -0.1983 25 C -4.2579 -2.6568 0.9643 C.3 1 UNL1111111111 -0.0152 26 C -0.7265 0.2954 -0.2526 C.3 1 UNL1111111111 -0.0222 27 C 6.3946 -0.8448 2.1817 C.3 1 UNL1111111111 -0.4361 28 C 2.1070 2.0784 0.6777 C.3 1 UNL1111111111 -0.0140 29 C 1.0876 -1.6036 -2.6530 C.3 1 UNL1111111111 -0.4597 30 H -5.9577 1.3092 0.8825 H 1 UNL1111111111 0.1450 31 H -5.4813 -1.1406 -0.9940 H 1 UNL1111111111 0.1767 32 H -4.0663 1.4776 -1.5362 H 1 UNL1111111111 0.1692 33 H -4.4718 -0.7117 1.9566 H 1 UNL1111111111 0.1403 34 H -2.7566 1.1109 1.2516 H 1 UNL1111111111 0.1340 35 H 6.9116 0.1823 0.3333 H 1 UNL1111111111 0.1849 36 H 5.4414 -2.4169 0.3345 H 1 UNL1111111111 0.1353 37 H -0.0733 0.6214 -2.3026 H 1 UNL1111111111 0.1677 38 H 0.3100 1.9454 -1.2396 H 1 UNL1111111111 0.1752 39 H 3.5444 -2.4458 -1.9575 H 1 UNL1111111111 0.1704 40 H -3.7673 -3.0470 0.0537 H 1 UNL1111111111 0.1367 41 H -5.2416 -3.1469 1.1043 H 1 UNL1111111111 0.1612 42 H -0.8248 -0.8026 -0.3002 H 1 UNL1111111111 0.1316 43 H -0.4833 0.6015 0.7784 H 1 UNL1111111111 0.1207 44 H 7.2396 -1.5414 2.1387 H 1 UNL1111111111 0.1483 45 H 6.6835 -0.0224 2.8556 H 1 UNL1111111111 0.1695 46 H 5.5564 -1.3670 2.6597 H 1 UNL1111111111 0.1509 47 H 1.1385 2.5119 0.3529 H 1 UNL1111111111 0.1561 48 H 2.0460 1.8453 1.7609 H 1 UNL1111111111 0.1297 49 H -7.2529 0.7378 -1.0963 H 1 UNL1111111111 0.3354 50 H -6.9336 -0.9069 1.4317 H 1 UNL1111111111 0.3189 51 H -4.7166 3.3462 -0.3929 H 1 UNL1111111111 0.3350 52 H 0.9686 -0.9895 -3.5607 H 1 UNL1111111111 0.1695 53 H 1.4548 -2.5851 -2.9828 H 1 UNL1111111111 0.1578 54 H 0.0820 -1.7654 -2.2358 H 1 UNL1111111111 0.1654 55 H 7.1577 -1.7685 -1.1263 H 1 UNL1111111111 0.3151 56 H -2.6168 -2.6770 2.0590 H 1 UNL1111111111 0.3200 57 H 3.8696 2.9265 0.8785 H 1 UNL1111111111 0.3414 @BOND 1 1 13 1 2 1 14 1 3 2 14 1 4 2 26 1 5 3 10 1 6 3 49 1 7 4 11 1 8 4 50 1 9 5 12 1 10 5 51 1 11 6 16 1 12 6 55 1 13 7 21 2 14 8 25 1 15 8 56 1 16 9 28 1 17 9 57 1 18 10 11 1 19 10 12 1 20 10 30 1 21 11 13 1 22 11 31 1 23 12 14 1 24 12 32 1 25 13 25 1 26 13 33 1 27 14 34 1 28 15 16 1 29 15 21 1 30 15 27 1 31 15 35 1 32 16 17 1 33 16 36 1 34 17 18 ar 35 17 24 ar 36 18 19 ar 37 18 21 1 38 19 20 ar 39 19 28 1 40 20 22 1 41 20 23 ar 42 22 26 1 43 22 37 1 44 22 38 1 45 23 24 ar 46 23 29 1 47 24 39 1 48 25 40 1 49 25 41 1 50 26 42 1 51 26 43 1 52 27 44 1 53 27 45 1 54 27 46 1 55 28 47 1 56 28 48 1 57 29 52 1 58 29 53 1 59 29 54 1