@MOLECULE 4-[(5r,5ar,8ar,9s)-9-({4,6-o-[(1r)-ethylidene]-beta-d-glucopyranosyl}oxy)-6-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]-2,6-dimethoxyphenyl dihydrogen phosphate 79 85 0 0 0 SMALL USER_CHARGES @ATOM 1 P 4.7578 2.9473 -1.1360 P.3 1 UNL11 0.3346 2 O -2.5534 -1.0130 0.9499 O.3 1 UNL11 -0.3953 3 O 1.1279 0.3266 3.1974 O.3 1 UNL11 -0.3900 4 O -2.5984 1.1218 0.2936 O.3 1 UNL11 -0.4699 5 O -5.4203 3.3411 -0.0972 O.3 1 UNL11 -0.4591 6 O 2.6409 -1.1955 3.7658 O.2 1 UNL11 -0.4666 7 O -5.0865 -1.3004 -0.5682 O.3 1 UNL11 -0.5554 8 O -3.4300 4.5403 -0.4317 O.3 1 UNL11 -0.4307 9 O -6.6308 0.8470 0.8805 O.3 1 UNL11 -0.5626 10 O -2.3902 -5.1671 -1.9525 O.3 1 UNL11 -0.3341 11 O -0.2290 -6.0963 -1.7797 O.3 1 UNL11 -0.3380 12 O 2.0654 1.0279 -2.3418 O.3 1 UNL11 -0.2380 13 O 5.5307 0.1837 0.6165 O.3 1 UNL11 -0.3120 14 O 4.5583 1.3941 -1.5636 O.3 1 UNL11 -0.2478 15 O 6.3364 2.9452 -0.9045 O.3 1 UNL11 -0.3596 16 O 4.1045 3.1971 0.2881 O.3 1 UNL11 -0.3239 17 O 4.3067 3.8890 -2.1323 O.2 1 UNL11 -0.1524 18 C -0.5517 -1.0304 2.1598 C.3 1 UNL11 -0.1778 19 C 0.7004 -1.8841 2.4212 C.3 1 UNL11 -0.2222 20 C -1.1492 -1.1885 0.7561 C.3 1 UNL11 0.1236 21 C 1.3963 -2.4511 1.1621 C.3 1 UNL11 -0.1126 22 C -0.9050 -2.5475 0.1601 C.ar 1 UNL11 -0.0801 23 C 0.3613 -3.1172 0.2982 C.ar 1 UNL11 -0.0110 24 C -0.0783 0.4126 2.4293 C.3 1 UNL11 -0.0422 25 C 1.6212 -0.9484 3.1860 C.2 1 UNL11 0.5953 26 C -3.1607 -0.1629 0.0168 C.3 1 UNL11 0.3002 27 C 2.2026 -1.4103 0.4212 C.ar 1 UNL11 0.0777 28 C -4.6720 -0.2906 0.3307 C.3 1 UNL11 0.0628 29 C -4.7076 2.2308 0.4164 C.3 1 UNL11 -0.0029 30 C -5.5013 0.9781 0.0409 C.3 1 UNL11 0.0717 31 C -3.3349 2.1749 -0.2766 C.3 1 UNL11 0.0422 32 C -1.9279 -3.1791 -0.5716 C.ar 1 UNL11 -0.1777 33 C 0.6977 -4.3306 -0.3340 C.ar 1 UNL11 -0.2018 34 C -1.5919 -4.3642 -1.1767 C.ar 1 UNL11 0.1178 35 C -0.2972 -4.9252 -1.0691 C.ar 1 UNL11 0.1337 36 C -2.6095 3.4890 0.0400 C.3 1 UNL11 -0.0538 37 C 3.4946 -1.1488 0.8822 C.ar 1 UNL11 -0.3394 38 C 1.6976 -0.7281 -0.6816 C.ar 1 UNL11 -0.3395 39 C -4.7330 4.5698 0.1175 C.3 1 UNL11 0.3430 40 C 2.4597 0.2724 -1.2872 C.ar 1 UNL11 0.2121 41 C 4.2682 -0.1730 0.2575 C.ar 1 UNL11 0.2074 42 C -1.5433 -6.2654 -2.3591 C.3 1 UNL11 0.1550 43 C 3.7619 0.5564 -0.8370 C.ar 1 UNL11 0.0557 44 C -5.4920 5.5970 -0.7034 C.3 1 UNL11 -0.4763 45 C 0.6654 1.0669 -2.5939 C.3 1 UNL11 -0.2230 46 C 6.0589 -0.4259 1.7892 C.3 1 UNL11 -0.2027 47 H -1.3492 -1.3072 2.8966 H 1 UNL11 0.1747 48 H 0.4361 -2.7505 3.0781 H 1 UNL11 0.1803 49 H -0.7512 -0.4018 0.0649 H 1 UNL11 0.1573 50 H 2.1194 -3.2411 1.5229 H 1 UNL11 0.1733 51 H 0.1802 0.9744 1.5145 H 1 UNL11 0.1534 52 H -0.7745 0.9980 3.0485 H 1 UNL11 0.1490 53 H -2.9096 -0.4311 -1.0321 H 1 UNL11 0.1390 54 H -4.8342 -0.6351 1.3807 H 1 UNL11 0.1700 55 H -4.6150 2.3262 1.5217 H 1 UNL11 0.1529 56 H -5.8552 1.0093 -1.0149 H 1 UNL11 0.1554 57 H -3.4299 2.0273 -1.3748 H 1 UNL11 0.1465 58 H -2.9332 -2.7597 -0.6382 H 1 UNL11 0.2005 59 H 1.6896 -4.7639 -0.2484 H 1 UNL11 0.1812 60 H -2.3944 3.6074 1.1154 H 1 UNL11 0.1366 61 H -1.6750 3.6172 -0.5367 H 1 UNL11 0.1616 62 H 3.8879 -1.6996 1.7338 H 1 UNL11 0.1827 63 H 0.7305 -0.9888 -1.0966 H 1 UNL11 0.1733 64 H -4.6765 4.7670 1.2073 H 1 UNL11 0.1100 65 H -6.0083 -1.5731 -0.3682 H 1 UNL11 0.3386 66 H -7.1616 1.6729 0.8631 H 1 UNL11 0.3365 67 H -1.4348 -6.2202 -3.4516 H 1 UNL11 0.1420 68 H -1.9721 -7.1909 -1.9514 H 1 UNL11 0.1429 69 H -5.6629 5.2318 -1.7277 H 1 UNL11 0.1764 70 H -4.9197 6.5308 -0.7834 H 1 UNL11 0.1721 71 H -6.4693 5.8181 -0.2607 H 1 UNL11 0.1639 72 H 0.5991 1.8568 -3.3561 H 1 UNL11 0.1571 73 H 0.3167 0.1146 -3.0005 H 1 UNL11 0.1299 74 H 0.1039 1.3541 -1.7011 H 1 UNL11 0.1348 75 H 5.4425 -0.1963 2.6657 H 1 UNL11 0.1469 76 H 6.1642 -1.5067 1.6544 H 1 UNL11 0.1349 77 H 7.0449 0.0493 1.8699 H 1 UNL11 0.1499 78 H 4.5557 2.5891 0.9842 H 1 UNL11 0.3142 79 H 6.6897 1.9782 -0.9447 H 1 UNL11 0.3280 @BOND 1 67 42 1 2 72 45 1 3 73 45 1 4 45 12 1 5 45 74 1 6 42 10 1 7 42 68 1 8 42 11 1 9 12 40 1 10 17 1 2 11 10 34 1 12 11 35 1 13 69 44 1 14 14 1 1 15 14 43 1 16 57 31 1 17 40 43 ar 18 40 38 ar 19 34 35 ar 20 34 32 ar 21 1 15 1 22 1 16 1 23 63 38 1 24 35 33 ar 25 53 26 1 26 56 30 1 27 79 15 1 28 43 41 ar 29 70 44 1 30 44 71 1 31 44 39 1 32 38 27 ar 33 58 32 1 34 32 22 ar 35 7 65 1 36 7 28 1 37 61 36 1 38 8 36 1 39 8 39 1 40 33 59 1 41 33 23 ar 42 31 36 1 43 31 4 1 44 31 29 1 45 5 39 1 46 5 29 1 47 26 4 1 48 26 28 1 49 26 2 1 50 36 60 1 51 30 28 1 52 30 29 1 53 30 9 1 54 49 20 1 55 39 64 1 56 22 23 ar 57 22 20 1 58 41 13 1 59 41 37 ar 60 16 78 1 61 23 21 1 62 28 54 1 63 29 55 1 64 27 37 ar 65 27 21 1 66 13 46 1 67 20 2 1 68 20 18 1 69 66 9 1 70 37 62 1 71 21 50 1 72 21 19 1 73 51 24 1 74 76 46 1 75 46 77 1 76 46 75 1 77 18 19 1 78 18 24 1 79 18 47 1 80 19 48 1 81 19 25 1 82 24 52 1 83 24 3 1 84 25 3 1 85 25 6 2