@MOLECULE 4-acetyl-2-methoxyphenyl 6-o-(4-hydroxybenzoyl)-beta-d-glucopyranoside 56 58 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.9720 -0.1386 0.1652 O.3 1 UNL1111111111 -0.4328 2 O 4.2213 -2.8837 -0.5943 O.3 1 UNL1111111111 -0.5394 3 O 5.9094 -0.4513 -0.2376 O.3 1 UNL1111111111 -0.5564 4 O 2.0780 2.0843 -0.0150 O.3 1 UNL1111111111 -0.3345 5 O 4.4412 1.7037 -1.6490 O.3 1 UNL1111111111 -0.5438 6 O 0.1555 -2.1945 0.1440 O.3 1 UNL1111111111 -0.4250 7 O 0.4660 2.1931 2.4271 O.3 1 UNL1111111111 -0.2890 8 O -0.5278 -3.8840 1.4541 O.2 1 UNL1111111111 -0.5064 9 O -4.0522 3.2753 0.9711 O.2 1 UNL1111111111 -0.4423 10 O -5.8295 -1.4417 -1.1371 O.3 1 UNL1111111111 -0.4685 11 C 3.8142 -1.6367 -0.0912 C.3 1 UNL1111111111 0.0366 12 C 4.6108 -0.5199 -0.7920 C.3 1 UNL1111111111 0.0433 13 C 2.2986 -1.4376 -0.2824 C.3 1 UNL1111111111 0.0458 14 C 4.0402 0.8967 -0.5634 C.3 1 UNL1111111111 0.0679 15 C 2.5006 0.8940 -0.6522 C.3 1 UNL1111111111 0.2748 16 C 1.4849 -2.3560 0.6355 C.3 1 UNL1111111111 -0.0306 17 C 0.7088 2.2484 -0.0429 C.ar 1 UNL1111111111 0.1092 18 C -0.0031 2.3000 1.1630 C.ar 1 UNL1111111111 0.1817 19 C 0.0599 2.4588 -1.2611 C.ar 1 UNL1111111111 -0.1871 20 C -0.8037 -2.9850 0.7005 C.2 1 UNL1111111111 0.6170 21 C -1.3883 2.5332 1.1277 C.ar 1 UNL1111111111 -0.1647 22 C -1.3079 2.7006 -1.2850 C.ar 1 UNL1111111111 -0.1565 23 C -2.0313 2.7279 -0.0891 C.ar 1 UNL1111111111 -0.1238 24 C -2.1277 -2.5776 0.2179 C.ar 1 UNL1111111111 -0.2266 25 C -3.4973 2.9844 -0.0612 C.2 1 UNL1111111111 0.4923 26 C -2.3309 -1.3028 -0.3284 C.ar 1 UNL1111111111 -0.0007 27 C -3.1846 -3.4851 0.3345 C.ar 1 UNL1111111111 0.0045 28 C 1.8308 1.8409 2.6120 C.3 1 UNL1111111111 -0.2005 29 C -3.5896 -0.9347 -0.7762 C.ar 1 UNL1111111111 -0.2778 30 C -4.4543 -3.1356 -0.1113 C.ar 1 UNL1111111111 -0.3414 31 C -4.2703 2.8768 -1.3431 C.3 1 UNL1111111111 -0.5451 32 C -4.6335 -1.8638 -0.6646 C.ar 1 UNL1111111111 0.3424 33 H 4.0915 -1.7063 0.9883 H 1 UNL1111111111 0.1774 34 H 4.7167 -0.7228 -1.8832 H 1 UNL1111111111 0.1416 35 H 1.9878 -1.5645 -1.3440 H 1 UNL1111111111 0.1420 36 H 4.4016 1.3335 0.3945 H 1 UNL1111111111 0.1650 37 H 2.1089 0.8191 -1.6860 H 1 UNL1111111111 0.1358 38 H 1.5105 -2.0307 1.6923 H 1 UNL1111111111 0.1559 39 H 1.7971 -3.4139 0.5577 H 1 UNL1111111111 0.1595 40 H 3.9631 -3.0029 -1.5322 H 1 UNL1111111111 0.3178 41 H 6.3075 -1.3490 -0.1941 H 1 UNL1111111111 0.3349 42 H 5.4042 1.8922 -1.5895 H 1 UNL1111111111 0.3356 43 H 0.6350 2.4473 -2.1858 H 1 UNL1111111111 0.1654 44 H -1.9497 2.5653 2.0671 H 1 UNL1111111111 0.1973 45 H -1.8049 2.8764 -2.2365 H 1 UNL1111111111 0.1578 46 H -1.4962 -0.5958 -0.3931 H 1 UNL1111111111 0.1778 47 H -3.0067 -4.4685 0.7811 H 1 UNL1111111111 0.1703 48 H 1.9104 1.8231 3.7073 H 1 UNL1111111111 0.1465 49 H 2.0391 0.8529 2.1883 H 1 UNL1111111111 0.1515 50 H 2.4917 2.6023 2.1855 H 1 UNL1111111111 0.1417 51 H -3.7816 0.0482 -1.1978 H 1 UNL1111111111 0.1791 52 H -5.2812 -3.8317 -0.0279 H 1 UNL1111111111 0.1671 53 H -3.9866 2.0016 -1.9390 H 1 UNL1111111111 0.1686 54 H -4.1229 3.7714 -1.9638 H 1 UNL1111111111 0.1746 55 H -5.3511 2.8025 -1.1429 H 1 UNL1111111111 0.1813 56 H -6.5484 -2.1089 -1.0062 H 1 UNL1111111111 0.3328 @BOND 1 1 13 1 2 1 15 1 3 2 11 1 4 2 40 1 5 3 12 1 6 3 41 1 7 4 15 1 8 4 17 1 9 5 14 1 10 5 42 1 11 6 16 1 12 6 20 1 13 7 18 1 14 7 28 1 15 8 20 2 16 9 25 2 17 10 32 1 18 10 56 1 19 11 12 1 20 11 13 1 21 11 33 1 22 12 14 1 23 12 34 1 24 13 16 1 25 13 35 1 26 14 15 1 27 14 36 1 28 15 37 1 29 16 38 1 30 16 39 1 31 17 18 ar 32 17 19 ar 33 18 21 ar 34 19 22 ar 35 19 43 1 36 20 24 1 37 21 23 ar 38 21 44 1 39 22 23 ar 40 22 45 1 41 23 25 1 42 24 26 ar 43 24 27 ar 44 25 31 1 45 26 29 ar 46 26 46 1 47 27 30 ar 48 27 47 1 49 28 48 1 50 28 49 1 51 28 50 1 52 29 32 ar 53 29 51 1 54 30 32 ar 55 30 52 1 56 31 53 1 57 31 54 1 58 31 55 1