@MOLECULE 4-{[(2r)-4-(beta-d-glucopyranosyloxy)-2-hydroxy-3,3-dimethylbutanoyl]amino}butanoic acid 56 56 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.1168 0.5082 0.8797 O.3 1 UNL1111111111 -0.4828 2 O 0.3891 1.7366 -0.2424 O.3 1 UNL1111111111 -0.4261 3 O -3.1505 -0.4108 -1.5042 O.3 1 UNL1111111111 -0.5626 4 O -1.9821 2.7919 -1.7473 O.3 1 UNL1111111111 -0.5654 5 O -4.1111 1.9575 0.9387 O.3 1 UNL1111111111 -0.5380 6 O 4.1331 0.7108 -1.2118 O.3 1 UNL1111111111 -0.5332 7 O -1.4273 -1.3982 2.7755 O.3 1 UNL1111111111 -0.5328 8 O 3.7514 -1.1183 0.6948 O.2 1 UNL1111111111 -0.5602 9 O -0.7361 -1.5758 -1.5451 O.3 1 UNL1111111111 -0.6254 10 O -1.5021 -3.4870 -0.6957 O.2 1 UNL1111111111 -0.5190 11 N 1.5040 -1.1234 0.4019 N.am 1 UNL1111111111 -0.5886 12 C -3.1265 0.9070 -0.9830 C.3 1 UNL1111111111 0.0768 13 C -1.7280 1.5111 -1.2081 C.3 1 UNL1111111111 0.0339 14 C -3.5420 0.7465 0.4949 C.3 1 UNL1111111111 0.0653 15 C -0.9613 1.6902 0.1191 C.3 1 UNL1111111111 0.2775 16 C -2.4055 0.3518 1.4521 C.3 1 UNL1111111111 0.0315 17 C 2.6817 1.9716 0.2526 C.3 1 UNL1111111111 0.0479 18 C 1.2654 1.9933 0.8597 C.3 1 UNL1111111111 -0.0633 19 C 2.8665 0.6933 -0.6036 C.3 1 UNL1111111111 0.0541 20 C -2.4315 -1.1441 1.8175 C.3 1 UNL1111111111 -0.0271 21 C 3.6990 2.0107 1.3949 C.3 1 UNL1111111111 -0.4664 22 C 2.8662 3.1850 -0.6642 C.3 1 UNL1111111111 -0.4483 23 C 2.7559 -0.5950 0.2241 C.2 1 UNL1111111111 0.5307 24 C 1.3499 -2.4636 0.9715 C.3 1 UNL1111111111 -0.0709 25 C 1.5433 -3.5793 -0.0793 C.3 1 UNL1111111111 -0.2803 26 C 0.8269 -3.3049 -1.4054 C.3 1 UNL1111111111 -0.3406 27 C -0.5841 -2.8658 -1.1621 C.2 1 UNL1111111111 0.6622 28 H -3.8931 1.5290 -1.5149 H 1 UNL1111111111 0.1652 29 H -1.1313 0.9066 -1.9329 H 1 UNL1111111111 0.1687 30 H -4.4003 0.0309 0.5724 H 1 UNL1111111111 0.1790 31 H -1.2611 2.5808 0.7066 H 1 UNL1111111111 0.1208 32 H -2.4368 0.9826 2.3738 H 1 UNL1111111111 0.1592 33 H 1.1261 1.2105 1.6266 H 1 UNL1111111111 0.1452 34 H 1.0233 2.9790 1.2910 H 1 UNL1111111111 0.1275 35 H 2.1669 0.6911 -1.4730 H 1 UNL1111111111 0.1682 36 H -2.2727 -1.7922 0.9329 H 1 UNL1111111111 0.1512 37 H -3.3671 -1.4310 2.3310 H 1 UNL1111111111 0.1532 38 H 3.6551 1.1086 2.0203 H 1 UNL1111111111 0.1640 39 H 4.7232 2.0740 1.0030 H 1 UNL1111111111 0.1622 40 H 3.5483 2.8777 2.0460 H 1 UNL1111111111 0.1475 41 H 2.8679 4.1231 -0.1019 H 1 UNL1111111111 0.1413 42 H 2.0705 3.2433 -1.4155 H 1 UNL1111111111 0.1485 43 H 3.8203 3.1212 -1.2086 H 1 UNL1111111111 0.1689 44 H -3.3477 -0.4081 -2.4669 H 1 UNL1111111111 0.3403 45 H -1.1423 3.2243 -2.0174 H 1 UNL1111111111 0.3391 46 H -3.5727 2.7291 0.6608 H 1 UNL1111111111 0.3213 47 H 4.8112 0.3222 -0.6045 H 1 UNL1111111111 0.3384 48 H 0.6818 -0.7112 -0.0291 H 1 UNL1111111111 0.3414 49 H -0.5551 -1.1208 2.4115 H 1 UNL1111111111 0.3231 50 H 0.3343 -2.5456 1.4262 H 1 UNL1111111111 0.1469 51 H 2.0916 -2.6038 1.7958 H 1 UNL1111111111 0.1666 52 H 1.1927 -4.5376 0.3535 H 1 UNL1111111111 0.1551 53 H 2.6290 -3.7068 -0.2761 H 1 UNL1111111111 0.1658 54 H 1.3813 -2.5341 -1.9878 H 1 UNL1111111111 0.1851 55 H 0.8238 -4.2191 -2.0365 H 1 UNL1111111111 0.1738 56 H -1.6459 -1.1862 -1.4015 H 1 UNL1111111111 0.3839 @BOND 1 1 15 1 2 1 16 1 3 2 15 1 4 2 18 1 5 3 12 1 6 3 44 1 7 4 13 1 8 4 45 1 9 5 14 1 10 5 46 1 11 6 19 1 12 6 47 1 13 7 20 1 14 7 49 1 15 8 23 2 16 9 27 1 17 9 56 1 18 10 27 2 19 11 23 am 20 11 24 1 21 11 48 1 22 12 13 1 23 12 14 1 24 12 28 1 25 13 15 1 26 13 29 1 27 14 16 1 28 14 30 1 29 15 31 1 30 16 20 1 31 16 32 1 32 17 18 1 33 17 19 1 34 17 21 1 35 17 22 1 36 18 33 1 37 18 34 1 38 19 23 1 39 19 35 1 40 20 36 1 41 20 37 1 42 21 38 1 43 21 39 1 44 21 40 1 45 22 41 1 46 22 42 1 47 22 43 1 48 24 25 1 49 24 50 1 50 24 51 1 51 25 26 1 52 25 52 1 53 25 53 1 54 26 27 1 55 26 54 1 56 26 55 1