@MOLECULE methyl 3'-chloro-4'-(alpha-d-mannopyranosyloxy)-4-biphenylcarboxylate 50 52 0 0 0 SMALL GASTEIGER @ATOM 1 CL -1.6840 1.4237 2.0914 Cl 1 UNL1111111111 -0.0417 2 O -3.1099 -0.6716 -1.3141 O.3 1 UNL1111111111 -0.4310 3 O -2.6918 1.4916 -0.5640 O.3 1 UNL1111111111 -0.4231 4 O -6.3716 0.1537 1.1228 O.3 1 UNL1111111111 -0.5412 5 O -4.5910 -2.0223 1.6817 O.3 1 UNL1111111111 -0.5474 6 O -5.9098 0.3264 -1.5270 O.3 1 UNL1111111111 -0.5457 7 O -1.3054 -2.7927 -0.6100 O.3 1 UNL1111111111 -0.5376 8 O 7.3274 -1.3855 0.2411 O.3 1 UNL1111111111 -0.4081 9 O 7.8480 0.7926 0.0767 O.2 1 UNL1111111111 -0.4997 10 C -5.0527 0.1208 0.6443 C.3 1 UNL1111111111 0.0794 11 C -4.6223 -1.3455 0.4448 C.3 1 UNL1111111111 0.0553 12 C -3.1744 -1.3696 -0.0697 C.3 1 UNL1111111111 0.0366 13 C -4.9260 0.8888 -0.6830 C.3 1 UNL1111111111 0.0288 14 C -3.5427 0.6408 -1.3323 C.3 1 UNL1111111111 0.2824 15 C -2.7050 -2.7820 -0.4334 C.3 1 UNL1111111111 -0.0163 16 C -1.3649 1.1861 -0.5584 C.ar 1 UNL1111111111 0.2388 17 C -0.7438 1.1878 0.6948 C.ar 1 UNL1111111111 -0.0703 18 C -0.6238 0.9554 -1.7167 C.ar 1 UNL1111111111 -0.2271 19 C 1.3677 0.7611 -0.3530 C.ar 1 UNL1111111111 -0.0552 20 C 0.6219 0.9836 0.8083 C.ar 1 UNL1111111111 -0.1244 21 C 0.7482 0.7457 -1.6048 C.ar 1 UNL1111111111 -0.1124 22 C 2.8156 0.5339 -0.2461 C.ar 1 UNL1111111111 0.0405 23 C 3.2955 -0.7453 0.0437 C.ar 1 UNL1111111111 -0.1761 24 C 3.7000 1.6000 -0.4269 C.ar 1 UNL1111111111 -0.1788 25 C 4.6661 -0.9611 0.1553 C.ar 1 UNL1111111111 -0.0734 26 C 5.0697 1.3858 -0.3122 C.ar 1 UNL1111111111 -0.0762 27 C 5.5490 0.1056 -0.0209 C.ar 1 UNL1111111111 -0.1514 28 C 7.0070 -0.0713 0.0985 C.2 1 UNL1111111111 0.5952 29 C 8.7167 -1.6755 0.3607 C.3 1 UNL1111111111 -0.1670 30 H -4.4717 0.6175 1.4594 H 1 UNL1111111111 0.1779 31 H -5.3207 -1.8897 -0.2282 H 1 UNL1111111111 0.1506 32 H -5.1158 1.9750 -0.5390 H 1 UNL1111111111 0.1557 33 H -2.4739 -0.8963 0.6542 H 1 UNL1111111111 0.1637 34 H -3.4798 0.9153 -2.4072 H 1 UNL1111111111 0.1462 35 H -3.1912 -3.1586 -1.3512 H 1 UNL1111111111 0.1322 36 H -2.8714 -3.4855 0.4087 H 1 UNL1111111111 0.1707 37 H -7.0053 -0.0574 0.3984 H 1 UNL1111111111 0.3348 38 H -5.3424 -1.7208 2.2435 H 1 UNL1111111111 0.3385 39 H -6.1102 0.9200 -2.2794 H 1 UNL1111111111 0.3263 40 H -1.0471 -2.1204 -1.2758 H 1 UNL1111111111 0.3186 41 H -1.1100 0.9429 -2.6884 H 1 UNL1111111111 0.1713 42 H 1.1140 0.9871 1.7837 H 1 UNL1111111111 0.1824 43 H 1.3451 0.5681 -2.5010 H 1 UNL1111111111 0.1675 44 H 2.5969 -1.5707 0.1826 H 1 UNL1111111111 0.1710 45 H 3.3165 2.5941 -0.6525 H 1 UNL1111111111 0.1653 46 H 5.0470 -1.9596 0.3815 H 1 UNL1111111111 0.1714 47 H 5.7748 2.2111 -0.4451 H 1 UNL1111111111 0.1743 48 H 9.2403 -1.3868 -0.5570 H 1 UNL1111111111 0.1405 49 H 9.1427 -1.1523 1.2237 H 1 UNL1111111111 0.1423 50 H 8.7283 -2.7622 0.5049 H 1 UNL1111111111 0.1458 @BOND 1 1 17 1 2 2 12 1 3 2 14 1 4 3 14 1 5 3 16 1 6 4 10 1 7 4 37 1 8 5 11 1 9 5 38 1 10 6 13 1 11 6 39 1 12 7 15 1 13 7 40 1 14 8 28 1 15 8 29 1 16 9 28 2 17 10 11 1 18 10 13 1 19 10 30 1 20 11 12 1 21 11 31 1 22 12 15 1 23 12 33 1 24 13 14 1 25 13 32 1 26 14 34 1 27 15 35 1 28 15 36 1 29 16 17 ar 30 16 18 ar 31 17 20 ar 32 18 21 ar 33 18 41 1 34 19 20 ar 35 19 21 ar 36 19 22 1 37 20 42 1 38 21 43 1 39 22 23 ar 40 22 24 ar 41 23 25 ar 42 23 44 1 43 24 26 ar 44 24 45 1 45 25 27 ar 46 25 46 1 47 26 27 ar 48 26 47 1 49 27 28 1 50 29 48 1 51 29 49 1 52 29 50 1