@MOLECULE 9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-1,3-dihydronaphtho[2,3-c]furan-4-yl 3,4-di-o-methyl-beta-d-xylopyranoside 67 72 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.4976 -0.9608 -0.8398 O.3 1 UNL11 -0.3900 2 O -2.1826 0.4506 0.4020 O.3 1 UNL11 -0.4243 3 O -6.3821 1.7258 -0.1505 O.3 1 UNL11 -0.4041 4 O -6.2973 -0.8124 1.3725 O.3 1 UNL11 -0.3872 5 O -4.4605 1.7326 -1.9428 O.3 1 UNL11 -0.5440 6 O 0.4851 3.9107 0.1907 O.3 1 UNL11 -0.3996 7 O -0.6673 -4.3578 0.1646 O.3 1 UNL11 -0.3388 8 O 2.6925 3.6829 -0.0248 O.2 1 UNL11 -0.4072 9 O 2.1411 -4.2369 -0.3752 O.3 1 UNL11 -0.3360 10 O 6.5716 0.8158 1.7124 O.3 1 UNL11 -0.3391 11 O 7.5309 0.8268 -0.4414 O.3 1 UNL11 -0.3440 12 C -5.2137 1.0528 0.2942 C.3 1 UNL11 0.0045 13 C -4.0427 1.4389 -0.6305 C.3 1 UNL11 0.0350 14 C -5.6079 -0.4358 0.1955 C.3 1 UNL11 0.0431 15 C -2.9786 0.3259 -0.7821 C.3 1 UNL11 0.2850 16 C -4.3479 -1.3166 0.2329 C.3 1 UNL11 -0.0635 17 C -0.8327 0.4700 0.1879 C.ar 1 UNL11 0.2101 18 C -0.1837 1.6693 0.1664 C.ar 1 UNL11 -0.1089 19 C -0.0915 -0.7514 0.0909 C.ar 1 UNL11 -0.0344 20 C 1.2348 1.7126 0.0385 C.ar 1 UNL11 -0.1647 21 C 1.9859 0.5790 -0.0779 C.ar 1 UNL11 0.0760 22 C 1.3163 -0.6919 -0.0561 C.ar 1 UNL11 -0.0155 23 C -0.6844 3.0733 0.2675 C.3 1 UNL11 -0.0252 24 C 3.4466 0.6370 -0.2199 C.ar 1 UNL11 -0.0346 25 C 1.6322 3.1387 0.0547 C.2 1 UNL11 0.5918 26 C -0.7426 -2.0059 0.1362 C.ar 1 UNL11 -0.1851 27 C 2.0514 -1.8988 -0.1717 C.ar 1 UNL11 -0.1933 28 C -6.4087 3.1086 0.1563 C.3 1 UNL11 -0.1995 29 C -7.6828 -0.5203 1.3502 C.3 1 UNL11 -0.1934 30 C -0.0114 -3.1630 0.0199 C.ar 1 UNL11 0.1414 31 C 1.4012 -3.1094 -0.1391 C.ar 1 UNL11 0.1484 32 C 4.2306 0.6934 0.9525 C.ar 1 UNL11 -0.1704 33 C 4.0110 0.6415 -1.4924 C.ar 1 UNL11 -0.1290 34 C 5.5873 0.7562 0.7573 C.ar 1 UNL11 0.1323 35 C 6.1638 0.7621 -0.5361 C.ar 1 UNL11 0.1382 36 C 5.4042 0.7055 -1.6790 C.ar 1 UNL11 -0.1855 37 C 7.8130 0.8826 0.9753 C.3 1 UNL11 0.1575 38 C -0.7551 -5.0888 -1.0583 C.3 1 UNL11 -0.1969 39 C 2.2077 -5.1154 0.7474 C.3 1 UNL11 -0.1976 40 H -4.9893 1.3154 1.3523 H 1 UNL11 0.1545 41 H -3.5555 2.3799 -0.2790 H 1 UNL11 0.1505 42 H -6.2202 -0.6274 -0.7104 H 1 UNL11 0.1438 43 H -2.3900 0.4080 -1.7228 H 1 UNL11 0.1667 44 H -3.8180 -1.2341 1.2000 H 1 UNL11 0.1562 45 H -4.5770 -2.3788 0.0282 H 1 UNL11 0.1590 46 H -1.1628 3.3066 1.2358 H 1 UNL11 0.1578 47 H -1.3334 3.3837 -0.5706 H 1 UNL11 0.1555 48 H -5.4193 1.5353 -2.0545 H 1 UNL11 0.3406 49 H -1.8270 -2.0518 0.2623 H 1 UNL11 0.1990 50 H 3.1370 -1.8673 -0.2892 H 1 UNL11 0.1900 51 H -5.6279 3.6444 -0.3943 H 1 UNL11 0.1367 52 H -7.4018 3.4184 -0.1942 H 1 UNL11 0.1468 53 H -6.3180 3.2751 1.2340 H 1 UNL11 0.1271 54 H -7.8595 0.5519 1.2101 H 1 UNL11 0.1388 55 H -8.1891 -1.1020 0.5740 H 1 UNL11 0.1231 56 H -8.0119 -0.8378 2.3478 H 1 UNL11 0.1451 57 H 3.7800 0.6974 1.9402 H 1 UNL11 0.1817 58 H 3.3650 0.6017 -2.3700 H 1 UNL11 0.1661 59 H 5.8439 0.7161 -2.6705 H 1 UNL11 0.1742 60 H 8.4043 -0.0061 1.2338 H 1 UNL11 0.1394 61 H 8.2787 1.8555 1.1866 H 1 UNL11 0.1438 62 H -1.2814 -6.0010 -0.7538 H 1 UNL11 0.1467 63 H -1.3429 -4.5267 -1.7911 H 1 UNL11 0.1346 64 H 0.2409 -5.3226 -1.4499 H 1 UNL11 0.1439 65 H 2.7089 -4.6199 1.5846 H 1 UNL11 0.1339 66 H 2.8160 -5.9429 0.3631 H 1 UNL11 0.1468 67 H 1.2115 -5.4647 1.0391 H 1 UNL11 0.1459 @BOND 1 1 15 1 2 1 16 1 3 2 15 1 4 2 17 1 5 3 12 1 6 3 28 1 7 4 14 1 8 4 29 1 9 5 13 1 10 5 48 1 11 6 23 1 12 6 25 1 13 7 30 1 14 7 38 1 15 8 25 2 16 9 31 1 17 9 39 1 18 10 34 1 19 10 37 1 20 11 35 1 21 11 37 1 22 12 13 1 23 12 40 1 24 13 15 1 25 13 41 1 26 14 12 1 27 14 16 1 28 14 42 1 29 15 43 1 30 16 44 1 31 16 45 1 32 17 18 ar 33 17 19 ar 34 18 20 ar 35 18 23 1 36 19 22 ar 37 19 26 ar 38 20 21 ar 39 20 25 1 40 21 22 ar 41 21 24 1 42 22 27 ar 43 23 46 1 44 23 47 1 45 24 32 ar 46 24 33 ar 47 26 30 ar 48 26 49 1 49 27 31 ar 50 27 50 1 51 28 51 1 52 28 52 1 53 28 53 1 54 29 54 1 55 29 55 1 56 29 56 1 57 30 31 ar 58 32 34 ar 59 32 57 1 60 33 36 ar 61 33 58 1 62 34 35 ar 63 35 36 ar 64 36 59 1 65 37 60 1 66 37 61 1 67 38 62 1 68 38 63 1 69 38 64 1 70 39 65 1 71 39 66 1 72 39 67 1