@MOLECULE (1r,2s,3s,4r,5r)-5-[4-chloro-3-(4-ethoxybenzyl)phenyl]-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol 55 58 0 0 0 SMALL GASTEIGER @ATOM 1 CL -2.8481 2.8620 0.6731 Cl 1 UNL1111111111 -0.0747 2 O 2.5079 -0.8043 -0.0097 O.3 1 UNL1111111111 -0.4013 3 O 3.1148 0.3150 1.8785 O.3 1 UNL1111111111 -0.4356 4 O 5.1812 -2.0003 -1.2883 O.3 1 UNL1111111111 -0.5728 5 O 3.1209 2.1611 -1.1750 O.3 1 UNL1111111111 -0.5523 6 O 5.7754 0.8874 -1.3927 O.3 1 UNL1111111111 -0.5748 7 O 4.5073 -3.7285 0.6816 O.3 1 UNL1111111111 -0.5405 8 O -5.9827 -2.0799 0.1254 O.3 1 UNL1111111111 -0.3434 9 C 3.6661 -1.4917 0.4767 C.3 1 UNL1111111111 0.1390 10 C 2.6059 0.4955 0.5585 C.3 1 UNL1111111111 0.3826 11 C 4.8823 -0.9930 -0.3417 C.3 1 UNL1111111111 0.0795 12 C 3.6922 1.2872 -0.2302 C.3 1 UNL1111111111 0.0203 13 C 4.5219 0.3103 -1.0908 C.3 1 UNL1111111111 0.0885 14 C 3.7458 -0.9684 1.9318 C.3 1 UNL1111111111 -0.0720 15 C 3.3664 -2.9848 0.3290 C.3 1 UNL1111111111 -0.0028 16 C 1.2475 1.1071 0.5930 C.ar 1 UNL1111111111 -0.0876 17 C 0.4097 0.9308 -0.5087 C.ar 1 UNL1111111111 -0.1250 18 C 0.8210 1.8197 1.7128 C.ar 1 UNL1111111111 -0.1150 19 C -0.8792 1.4666 -0.5015 C.ar 1 UNL1111111111 -0.0126 20 C -0.4570 2.3733 1.7278 C.ar 1 UNL1111111111 -0.1784 21 C -1.2790 2.1862 0.6236 C.ar 1 UNL1111111111 0.0222 22 C -1.8003 1.2273 -1.6583 C.3 1 UNL1111111111 -0.2747 23 C -2.9521 0.3689 -1.2209 C.ar 1 UNL1111111111 -0.0673 24 C -2.6995 -0.8970 -0.6752 C.ar 1 UNL1111111111 -0.0946 25 C -4.2609 0.8298 -1.3318 C.ar 1 UNL1111111111 -0.0842 26 C -3.7444 -1.6913 -0.2341 C.ar 1 UNL1111111111 -0.2463 27 C -5.3295 0.0473 -0.8939 C.ar 1 UNL1111111111 -0.3007 28 C -5.0588 -1.2049 -0.3449 C.ar 1 UNL1111111111 0.2536 29 C -7.3539 -1.6667 0.1055 C.3 1 UNL1111111111 -0.0221 30 C -8.0844 -2.8499 0.7251 C.3 1 UNL1111111111 -0.4577 31 H 5.7883 -0.8515 0.2915 H 1 UNL1111111111 0.1501 32 H 4.3321 1.8756 0.4645 H 1 UNL1111111111 0.1576 33 H 3.9895 0.0877 -2.0470 H 1 UNL1111111111 0.1642 34 H 3.1640 -1.5781 2.6420 H 1 UNL1111111111 0.1548 35 H 4.7617 -0.8039 2.3154 H 1 UNL1111111111 0.1471 36 H 3.0518 -3.2233 -0.7058 H 1 UNL1111111111 0.1468 37 H 2.5891 -3.3243 1.0391 H 1 UNL1111111111 0.1519 38 H 5.8664 -1.6746 -1.9140 H 1 UNL1111111111 0.3422 39 H 2.4827 2.7756 -0.7521 H 1 UNL1111111111 0.3317 40 H 5.6481 1.7546 -1.8359 H 1 UNL1111111111 0.3400 41 H 0.7640 0.3604 -1.3715 H 1 UNL1111111111 0.1803 42 H 1.4782 1.9303 2.5775 H 1 UNL1111111111 0.1753 43 H 5.2077 -3.5855 0.0015 H 1 UNL1111111111 0.3358 44 H -0.8033 2.9320 2.5984 H 1 UNL1111111111 0.1766 45 H -1.2682 0.7359 -2.5037 H 1 UNL1111111111 0.1638 46 H -2.1520 2.1962 -2.0774 H 1 UNL1111111111 0.1653 47 H -1.6718 -1.2524 -0.5889 H 1 UNL1111111111 0.1585 48 H -4.4618 1.8129 -1.7570 H 1 UNL1111111111 0.1513 49 H -3.5700 -2.6736 0.1966 H 1 UNL1111111111 0.1717 50 H -6.3412 0.4239 -0.9824 H 1 UNL1111111111 0.1592 51 H -7.4649 -0.7454 0.7035 H 1 UNL1111111111 0.1273 52 H -7.6612 -1.4848 -0.9389 H 1 UNL1111111111 0.1245 53 H -9.1647 -2.6748 0.7609 H 1 UNL1111111111 0.1519 54 H -7.7349 -3.0405 1.7489 H 1 UNL1111111111 0.1616 55 H -7.9064 -3.7703 0.1524 H 1 UNL1111111111 0.1612 @BOND 1 1 21 1 2 2 9 1 3 2 10 1 4 3 10 1 5 3 14 1 6 4 11 1 7 4 38 1 8 5 12 1 9 5 39 1 10 6 13 1 11 6 40 1 12 7 15 1 13 7 43 1 14 8 28 1 15 8 29 1 16 9 11 1 17 9 14 1 18 9 15 1 19 10 12 1 20 10 16 1 21 11 13 1 22 11 31 1 23 12 13 1 24 12 32 1 25 13 33 1 26 14 34 1 27 14 35 1 28 15 36 1 29 15 37 1 30 16 17 ar 31 16 18 ar 32 17 19 ar 33 17 41 1 34 18 20 ar 35 18 42 1 36 19 21 ar 37 19 22 1 38 20 21 ar 39 20 44 1 40 22 23 1 41 22 45 1 42 22 46 1 43 23 24 ar 44 23 25 ar 45 24 26 ar 46 24 47 1 47 25 27 ar 48 25 48 1 49 26 28 ar 50 26 49 1 51 27 28 ar 52 27 50 1 53 29 30 1 54 29 51 1 55 29 52 1 56 30 53 1 57 30 54 1 58 30 55 1