@MOLECULE (1r)-1,5-anhydro-1-[4-chloro-3-(4-ethoxybenzyl)phenyl]-d-glucitol 53 55 0 0 0 SMALL GASTEIGER @ATOM 1 CL -2.3898 2.8034 0.8209 Cl 1 UNL1111111111 -0.0862 2 O 2.7433 -1.0486 0.0748 O.3 1 UNL1111111111 -0.3869 3 O 5.9361 0.1453 0.6885 O.3 1 UNL1111111111 -0.5624 4 O 3.3679 1.2162 -1.6327 O.3 1 UNL1111111111 -0.5345 5 O 4.5196 -1.1529 -2.2752 O.3 1 UNL1111111111 -0.5676 6 O 3.3894 -2.9663 2.0401 O.3 1 UNL1111111111 -0.5372 7 O -5.8389 -1.8680 0.1323 O.3 1 UNL1111111111 -0.3452 8 C 5.2584 0.2195 -0.5487 C.3 1 UNL1111111111 0.0677 9 C 3.9499 1.0219 -0.3736 C.3 1 UNL1111111111 0.0705 10 C 4.9610 -1.2496 -0.9272 C.3 1 UNL1111111111 0.0760 11 C 2.9981 0.2607 0.5752 C.3 1 UNL1111111111 0.0450 12 C 3.8725 -1.8817 -0.0508 C.3 1 UNL1111111111 0.0001 13 C 1.6429 0.9021 0.6290 C.ar 1 UNL1111111111 -0.0284 14 C 4.4057 -2.2943 1.3300 C.3 1 UNL1111111111 -0.0456 15 C 0.7713 0.7673 -0.4509 C.ar 1 UNL1111111111 -0.1184 16 C 1.2651 1.6240 1.7628 C.ar 1 UNL1111111111 -0.1592 17 C -0.4952 1.3556 -0.4138 C.ar 1 UNL1111111111 -0.0036 18 C 0.0075 2.2199 1.8142 C.ar 1 UNL1111111111 -0.1603 19 C -1.4379 1.1926 -1.5662 C.3 1 UNL1111111111 -0.2764 20 C -0.8451 2.0731 0.7277 C.ar 1 UNL1111111111 0.0097 21 C -2.6427 0.4024 -1.1459 C.ar 1 UNL1111111111 -0.0615 22 C -2.4761 -0.8766 -0.5990 C.ar 1 UNL1111111111 -0.0941 23 C -3.9206 0.9400 -1.2778 C.ar 1 UNL1111111111 -0.0846 24 C -3.5740 -1.6095 -0.1795 C.ar 1 UNL1111111111 -0.2457 25 C -5.0414 0.2204 -0.8639 C.ar 1 UNL1111111111 -0.3009 26 C -4.8550 -1.0469 -0.3148 C.ar 1 UNL1111111111 0.2507 27 C -7.1799 -1.3670 0.1034 C.3 1 UNL1111111111 -0.0218 28 C -7.9913 -2.5030 0.7112 C.3 1 UNL1111111111 -0.4580 29 H 5.9075 0.6893 -1.3215 H 1 UNL1111111111 0.1476 30 H 4.1331 2.0545 -0.0040 H 1 UNL1111111111 0.1506 31 H 5.8949 -1.8553 -0.9247 H 1 UNL1111111111 0.1456 32 H 3.4646 0.1754 1.5853 H 1 UNL1111111111 0.1440 33 H 3.4103 -2.7686 -0.5566 H 1 UNL1111111111 0.1596 34 H 4.7556 -1.4336 1.9296 H 1 UNL1111111111 0.1459 35 H 5.2182 -3.0399 1.2622 H 1 UNL1111111111 0.1462 36 H 6.4580 0.9568 0.8486 H 1 UNL1111111111 0.3287 37 H 3.4093 0.3745 -2.1516 H 1 UNL1111111111 0.3429 38 H 3.9805 -1.9297 -2.5299 H 1 UNL1111111111 0.3311 39 H 1.0891 0.2029 -1.3293 H 1 UNL1111111111 0.1736 40 H 1.9442 1.7227 2.6068 H 1 UNL1111111111 0.1551 41 H -0.2975 2.7842 2.6949 H 1 UNL1111111111 0.1696 42 H -0.9406 0.6861 -2.4236 H 1 UNL1111111111 0.1624 43 H -1.7259 2.1918 -1.9641 H 1 UNL1111111111 0.1665 44 H 2.5501 -2.4547 1.9841 H 1 UNL1111111111 0.3275 45 H -1.4730 -1.2913 -0.4934 H 1 UNL1111111111 0.1572 46 H -4.0546 1.9361 -1.6992 H 1 UNL1111111111 0.1512 47 H -3.4653 -2.5999 0.2538 H 1 UNL1111111111 0.1709 48 H -6.0272 0.6561 -0.9692 H 1 UNL1111111111 0.1581 49 H -7.2367 -0.4430 0.7050 H 1 UNL1111111111 0.1273 50 H -7.4657 -1.1611 -0.9426 H 1 UNL1111111111 0.1239 51 H -9.0574 -2.2565 0.7433 H 1 UNL1111111111 0.1511 52 H -7.6599 -2.7229 1.7352 H 1 UNL1111111111 0.1616 53 H -7.8716 -3.4293 0.1333 H 1 UNL1111111111 0.1606 @BOND 1 1 20 1 2 2 11 1 3 2 12 1 4 3 8 1 5 3 36 1 6 4 9 1 7 4 37 1 8 5 10 1 9 5 38 1 10 6 14 1 11 6 44 1 12 7 26 1 13 7 27 1 14 8 9 1 15 8 10 1 16 8 29 1 17 9 11 1 18 9 30 1 19 10 12 1 20 10 31 1 21 11 13 1 22 11 32 1 23 12 14 1 24 12 33 1 25 13 15 ar 26 13 16 ar 27 14 34 1 28 14 35 1 29 15 17 ar 30 15 39 1 31 16 18 ar 32 16 40 1 33 17 19 1 34 17 20 ar 35 18 20 ar 36 18 41 1 37 19 21 1 38 19 42 1 39 19 43 1 40 21 22 ar 41 21 23 ar 42 22 24 ar 43 22 45 1 44 23 25 ar 45 23 46 1 46 24 26 ar 47 24 47 1 48 25 26 ar 49 25 48 1 50 27 28 1 51 27 49 1 52 27 50 1 53 28 51 1 54 28 52 1 55 28 53 1