@MOLECULE (5s,5ar,8ar,9r)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-o-(2-thienylmethylene)-beta-d-glucopyranoside 78 85 0 0 0 SMALL USER_CHARGES @ATOM 1 S -8.1976 2.1188 -1.5713 S.2 1 UNL11111111 0.2612 2 O -0.3570 -1.1042 0.7220 O.3 1 UNL11111111 -0.4265 3 O 0.8312 2.5848 1.4693 O.3 1 UNL11111111 -0.4032 4 O -2.0874 -0.0447 -0.2576 O.3 1 UNL11111111 -0.4663 5 O -5.6070 -0.0562 0.5310 O.3 1 UNL11111111 -0.4057 6 O 2.5099 2.3724 2.9181 O.2 1 UNL11111111 -0.4648 7 O -2.3131 -3.0938 1.7154 O.3 1 UNL11111111 -0.5552 8 O -5.2316 1.3602 -1.3026 O.3 1 UNL11111111 -0.4215 9 O -4.3990 -1.2861 2.8463 O.3 1 UNL11111111 -0.5347 10 O 2.3640 -5.1877 -1.3420 O.3 1 UNL11111111 -0.3390 11 O 4.3755 -4.8487 -0.1573 O.3 1 UNL11111111 -0.3339 12 O 5.2754 0.9575 -2.9637 O.3 1 UNL11111111 -0.3004 13 O 6.3631 3.5262 0.9217 O.3 1 UNL11111111 -0.3476 14 O 6.6789 3.1411 -1.7101 O.3 1 UNL11111111 -0.4613 15 C 1.1309 0.6554 0.1400 C.3 1 UNL11111111 -0.1905 16 C 1.8742 0.4734 1.4784 C.3 1 UNL11111111 -0.2280 17 C 0.5854 -0.7056 -0.2754 C.3 1 UNL11111111 0.1377 18 C 3.1968 -0.2481 1.2196 C.3 1 UNL11111111 -0.0973 19 C 1.6852 -1.7468 -0.2020 C.ar 1 UNL11111111 -0.0822 20 C 2.8763 -1.5448 0.5001 C.ar 1 UNL11111111 0.0188 21 C 0.1554 1.7877 0.4740 C.3 1 UNL11111111 -0.0371 22 C 1.8514 1.8687 2.0539 C.2 1 UNL11111111 0.5988 23 C -1.6677 -1.2994 0.2750 C.3 1 UNL11111111 0.2767 24 C 4.1501 0.6139 0.4279 C.ar 1 UNL11111111 0.0541 25 C -2.4226 -1.6932 1.5678 C.3 1 UNL11111111 0.0271 26 C -4.2264 -0.0951 0.8424 C.3 1 UNL11111111 0.0283 27 C -3.9474 -1.4409 1.5182 C.3 1 UNL11111111 0.1100 28 C -3.4749 -0.0226 -0.5015 C.3 1 UNL11111111 0.0328 29 C 1.4167 -2.9628 -0.8677 C.ar 1 UNL11111111 -0.1902 30 C 3.8646 -2.5519 0.5679 C.ar 1 UNL11111111 -0.2051 31 C -3.8269 1.3259 -1.1414 C.3 1 UNL11111111 -0.0540 32 C 2.3819 -3.9317 -0.7891 C.ar 1 UNL11111111 0.1184 33 C 3.5900 -3.7285 -0.0794 C.ar 1 UNL11111111 0.1430 34 C 4.8234 1.6357 1.1054 C.ar 1 UNL11111111 -0.3135 35 C 4.3396 0.4278 -0.9346 C.ar 1 UNL11111111 -0.2844 36 C -5.9671 1.1655 -0.1014 C.3 1 UNL11111111 0.3251 37 C 5.2042 1.2755 -1.6489 C.ar 1 UNL11111111 0.2191 38 C 5.6582 2.4869 0.3935 C.ar 1 UNL11111111 0.1892 39 C 3.6222 -5.7884 -0.9589 C.3 1 UNL11111111 0.1566 40 C 5.8604 2.3187 -0.9899 C.ar 1 UNL11111111 0.0370 41 C -7.3824 1.0001 -0.5115 C.ar 1 UNL11111111 -0.2216 42 C -8.2229 -0.0092 -0.1348 C.ar 1 UNL11111111 -0.1265 43 C -9.5390 0.1199 -0.6918 C.ar 1 UNL11111111 -0.1779 44 C -9.6811 1.2214 -1.4851 C.ar 1 UNL11111111 -0.2727 45 C 6.1518 1.7245 -3.7819 C.3 1 UNL11111111 -0.1913 46 C 5.9564 3.9748 2.2107 C.3 1 UNL11111111 -0.1824 47 H 1.8383 1.0059 -0.6575 H 1 UNL11111111 0.1789 48 H 1.2595 -0.1654 2.1761 H 1 UNL11111111 0.1932 49 H 0.1144 -0.6654 -1.2824 H 1 UNL11111111 0.1465 50 H 3.6752 -0.4917 2.2089 H 1 UNL11111111 0.1741 51 H -0.7908 1.4410 0.9246 H 1 UNL11111111 0.1608 52 H -0.0419 2.4811 -0.3556 H 1 UNL11111111 0.1455 53 H -1.7186 -2.0635 -0.5273 H 1 UNL11111111 0.1283 54 H -1.9742 -1.1882 2.4562 H 1 UNL11111111 0.1636 55 H -3.9696 0.7438 1.5289 H 1 UNL11111111 0.1588 56 H -4.4921 -2.2815 1.0329 H 1 UNL11111111 0.1570 57 H -3.7590 -0.8627 -1.1746 H 1 UNL11111111 0.1497 58 H 0.4905 -3.1197 -1.4111 H 1 UNL11111111 0.1720 59 H 4.7989 -2.3899 1.1003 H 1 UNL11111111 0.1867 60 H -3.4792 2.1861 -0.5449 H 1 UNL11111111 0.1366 61 H -3.4523 1.4209 -2.1769 H 1 UNL11111111 0.1571 62 H 4.6789 1.7660 2.1769 H 1 UNL11111111 0.1904 63 H 3.8403 -0.3731 -1.4782 H 1 UNL11111111 0.1834 64 H -5.7707 2.0132 0.5949 H 1 UNL11111111 0.1281 65 H -1.3749 -3.3519 1.8500 H 1 UNL11111111 0.3336 66 H -4.3686 -2.1490 3.3143 H 1 UNL11111111 0.3266 67 H 4.1956 -5.9812 -1.8763 H 1 UNL11111111 0.1443 68 H 3.3998 -6.6617 -0.3306 H 1 UNL11111111 0.1425 69 H -7.9459 -0.8277 0.5179 H 1 UNL11111111 0.1784 70 H 7.0254 3.8679 -1.1294 H 1 UNL11111111 0.3367 71 H -10.3171 -0.5990 -0.4834 H 1 UNL11111111 0.1652 72 H -10.5650 1.5358 -2.0101 H 1 UNL11111111 0.1758 73 H 7.1846 1.6527 -3.4239 H 1 UNL11111111 0.1464 74 H 6.0407 1.2361 -4.7578 H 1 UNL11111111 0.1411 75 H 5.8247 2.7689 -3.8261 H 1 UNL11111111 0.1451 76 H 4.8780 4.1720 2.2451 H 1 UNL11111111 0.1506 77 H 6.2476 3.2442 2.9722 H 1 UNL11111111 0.1367 78 H 6.5267 4.9055 2.3226 H 1 UNL11111111 0.1478 @BOND 1 74 45 1 2 75 45 1 3 45 73 1 4 45 12 1 5 12 37 1 6 61 31 1 7 72 44 1 8 67 39 1 9 14 70 1 10 14 40 1 11 37 40 ar 12 37 35 ar 13 1 44 ar 14 1 41 ar 15 44 43 ar 16 63 35 1 17 58 29 1 18 10 39 1 19 10 32 1 20 8 31 1 21 8 36 1 22 49 17 1 23 57 28 1 24 31 60 1 25 31 28 1 26 40 38 ar 27 39 68 1 28 39 11 1 29 35 24 ar 30 29 32 ar 31 29 19 ar 32 32 33 ar 33 43 71 1 34 43 42 ar 35 47 15 1 36 53 23 1 37 41 42 ar 38 41 36 1 39 28 4 1 40 28 26 1 41 52 21 1 42 17 19 1 43 17 15 1 44 17 2 1 45 4 23 1 46 19 20 ar 47 11 33 1 48 42 69 1 49 36 5 1 50 36 64 1 51 33 30 ar 52 15 21 1 53 15 16 1 54 23 2 1 55 23 25 1 56 38 13 1 57 38 34 ar 58 24 34 ar 59 24 18 1 60 21 51 1 61 21 3 1 62 20 30 ar 63 20 18 1 64 5 26 1 65 30 59 1 66 26 27 1 67 26 55 1 68 13 46 1 69 56 27 1 70 34 62 1 71 18 16 1 72 18 50 1 73 3 22 1 74 16 22 1 75 16 48 1 76 27 25 1 77 27 9 1 78 25 7 1 79 25 54 1 80 7 65 1 81 22 6 2 82 46 76 1 83 46 78 1 84 46 77 1 85 9 66 1