@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 GASTEIGER @ATOM 1 S -8.4931 0.8846 0.4833 S.2 1 UNL1111111111 0.2688 2 O -0.3385 -1.0299 0.8015 O.3 1 UNL1111111111 -0.3931 3 O 0.7286 2.7191 1.2636 O.3 1 UNL1111111111 -0.4106 4 O -2.0240 -0.1216 -0.3600 O.3 1 UNL1111111111 -0.4857 5 O -5.5275 0.1689 0.4571 O.3 1 UNL1111111111 -0.4466 6 O 2.4281 2.7019 2.7007 O.2 1 UNL1111111111 -0.4631 7 O -2.2021 -2.8252 2.1216 O.3 1 UNL1111111111 -0.5088 8 O -5.1060 1.2909 -1.5631 O.3 1 UNL1111111111 -0.4165 9 O -4.3886 -2.3717 0.6544 O.3 1 UNL1111111111 -0.5746 10 O 2.5226 -5.2004 -0.9026 O.3 1 UNL1111111111 -0.3408 11 O 4.5136 -4.7095 0.2633 O.3 1 UNL1111111111 -0.3346 12 O 5.4920 1.0552 -3.0073 O.3 1 UNL1111111111 -0.2563 13 O 6.3152 3.7294 0.6887 O.3 1 UNL1111111111 -0.3407 14 O 6.6568 3.1027 -1.9177 O.3 1 UNL1111111111 -0.4192 15 C 1.1167 0.7068 0.0847 C.3 1 UNL1111111111 -0.1894 16 C 1.8469 0.6581 1.4424 C.3 1 UNL1111111111 -0.2297 17 C 0.6080 -0.6999 -0.2157 C.3 1 UNL1111111111 0.1265 18 C 3.1888 -0.0512 1.2655 C.3 1 UNL1111111111 -0.0982 19 C 1.7337 -1.7017 -0.0435 C.ar 1 UNL1111111111 -0.0773 20 C 2.9107 -1.4107 0.6512 C.ar 1 UNL1111111111 0.0159 21 C 0.1024 1.8311 0.3150 C.3 1 UNL1111111111 -0.0351 22 C 1.7816 2.0953 1.8959 C.2 1 UNL1111111111 0.5993 23 C -1.6332 -1.3041 0.3513 C.3 1 UNL1111111111 0.2866 24 C 4.1384 0.7619 0.4196 C.ar 1 UNL1111111111 0.0506 25 C -2.4380 -1.5241 1.6626 C.3 1 UNL1111111111 0.0621 26 C -4.1462 0.0331 0.7155 C.3 1 UNL1111111111 -0.0011 27 C -3.9533 -1.2930 1.4593 C.3 1 UNL1111111111 0.0736 28 C -3.4033 -0.0718 -0.6306 C.3 1 UNL1111111111 0.0520 29 C 1.5055 -2.9746 -0.6098 C.ar 1 UNL1111111111 -0.1835 30 C 3.9274 -2.3795 0.8053 C.ar 1 UNL1111111111 -0.2064 31 C -3.6985 1.2064 -1.4217 C.3 1 UNL1111111111 -0.0604 32 C 2.4984 -3.9049 -0.4486 C.ar 1 UNL1111111111 0.1173 33 C 3.6935 -3.6108 0.2507 C.ar 1 UNL1111111111 0.1388 34 C 4.7864 1.8442 1.0117 C.ar 1 UNL1111111111 -0.2996 35 C 4.3479 0.4578 -0.9258 C.ar 1 UNL1111111111 -0.3187 36 C -5.8161 1.3177 -0.3380 C.3 1 UNL1111111111 0.3388 37 C 5.2065 1.2448 -1.6930 C.ar 1 UNL1111111111 0.1981 38 C 5.6242 2.6442 0.2380 C.ar 1 UNL1111111111 0.1688 39 C 3.7867 -5.7363 -0.4501 C.3 1 UNL1111111111 0.1564 40 C 5.8459 2.3589 -1.1178 C.ar 1 UNL1111111111 0.0746 41 C -7.2504 1.2095 -0.6948 C.ar 1 UNL1111111111 -0.2376 42 C -7.7898 1.3381 -1.9438 C.ar 1 UNL1111111111 -0.1210 43 C -9.2162 1.1881 -1.9562 C.ar 1 UNL1111111111 -0.1785 44 C -9.7415 0.9416 -0.7205 C.ar 1 UNL1111111111 -0.2666 45 C 4.9284 -0.1019 -3.6142 C.3 1 UNL1111111111 -0.2177 46 C 5.8576 4.3024 1.9091 C.3 1 UNL1111111111 -0.1846 47 H 1.8234 1.0083 -0.7310 H 1 UNL1111111111 0.1756 48 H 1.2364 0.0636 2.1837 H 1 UNL1111111111 0.1986 49 H 0.1541 -0.7592 -1.2301 H 1 UNL1111111111 0.1452 50 H 3.6534 -0.2019 2.2795 H 1 UNL1111111111 0.1746 51 H -0.0945 2.4550 -0.5681 H 1 UNL1111111111 0.1434 52 H -0.8428 1.4891 0.7695 H 1 UNL1111111111 0.1572 53 H -1.6632 -2.1614 -0.3472 H 1 UNL1111111111 0.1278 54 H -2.0308 -0.8823 2.4806 H 1 UNL1111111111 0.1716 55 H -3.7948 0.8959 1.3233 H 1 UNL1111111111 0.1467 56 H -4.5121 -1.3365 2.4185 H 1 UNL1111111111 0.1520 57 H -3.7121 -0.9762 -1.2036 H 1 UNL1111111111 0.1576 58 H 0.5835 -3.2043 -1.1343 H 1 UNL1111111111 0.1723 59 H 4.8506 -2.1503 1.3333 H 1 UNL1111111111 0.1871 60 H -3.3454 1.1572 -2.4682 H 1 UNL1111111111 0.1599 61 H -3.2957 2.1135 -0.9411 H 1 UNL1111111111 0.1379 62 H 4.6274 2.0686 2.0657 H 1 UNL1111111111 0.1889 63 H 3.8488 -0.3970 -1.3733 H 1 UNL1111111111 0.1744 64 H -5.5327 2.2320 0.2336 H 1 UNL1111111111 0.1278 65 H -2.7334 -3.4770 1.6037 H 1 UNL1111111111 0.3329 66 H -5.2980 -2.1897 0.3210 H 1 UNL1111111111 0.3511 67 H 4.3739 -6.0062 -1.3382 H 1 UNL1111111111 0.1414 68 H 3.5729 -6.5494 0.2577 H 1 UNL1111111111 0.1435 69 H -7.2194 1.5326 -2.8433 H 1 UNL1111111111 0.1760 70 H 7.0002 3.8878 -1.4138 H 1 UNL1111111111 0.3270 71 H -9.7886 1.2650 -2.8691 H 1 UNL1111111111 0.1669 72 H -10.7772 0.7935 -0.4713 H 1 UNL1111111111 0.1776 73 H 5.3393 -0.0446 -4.6315 H 1 UNL1111111111 0.1524 74 H 3.8367 -0.0409 -3.6389 H 1 UNL1111111111 0.1318 75 H 5.2684 -1.0159 -3.1174 H 1 UNL1111111111 0.1370 76 H 6.4147 5.2470 1.9454 H 1 UNL1111111111 0.1473 77 H 6.1281 3.6575 2.7512 H 1 UNL1111111111 0.1355 78 H 4.7773 4.4883 1.8869 H 1 UNL1111111111 0.1488 @BOND 1 1 41 ar 2 1 44 ar 3 2 17 1 4 2 23 1 5 3 21 1 6 3 22 1 7 4 23 1 8 4 28 1 9 5 26 1 10 5 36 1 11 6 22 2 12 7 25 1 13 7 65 1 14 8 31 1 15 8 36 1 16 9 27 1 17 9 66 1 18 10 32 1 19 10 39 1 20 11 33 1 21 11 39 1 22 12 37 1 23 12 45 1 24 13 38 1 25 13 46 1 26 14 40 1 27 14 70 1 28 15 16 1 29 15 17 1 30 15 21 1 31 15 47 1 32 16 18 1 33 16 22 1 34 16 48 1 35 17 19 1 36 17 49 1 37 18 20 1 38 18 24 1 39 18 50 1 40 19 20 ar 41 19 29 ar 42 20 30 ar 43 21 51 1 44 21 52 1 45 23 25 1 46 23 53 1 47 24 34 ar 48 24 35 ar 49 25 27 1 50 25 54 1 51 26 27 1 52 26 28 1 53 26 55 1 54 27 56 1 55 28 31 1 56 28 57 1 57 29 32 ar 58 29 58 1 59 30 33 ar 60 30 59 1 61 31 60 1 62 31 61 1 63 32 33 ar 64 34 38 ar 65 34 62 1 66 35 37 ar 67 35 63 1 68 36 41 1 69 36 64 1 70 37 40 ar 71 38 40 ar 72 39 67 1 73 39 68 1 74 41 42 ar 75 42 43 ar 76 42 69 1 77 43 44 ar 78 43 71 1 79 44 72 1 80 45 73 1 81 45 74 1 82 45 75 1 83 46 76 1 84 46 77 1 85 46 78 1