@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 -3.4551 1.6196 -0.8237 O.3 1 UNL11 -0.4041 2 O -2.3049 0.1042 0.4914 O.3 1 UNL11 -0.3984 3 O -4.8060 0.0756 1.9769 O.3 1 UNL11 -0.3804 4 O -6.2343 1.5464 -0.9502 O.3 1 UNL11 -0.3893 5 O -5.0462 -0.8016 -1.5770 O.3 1 UNL11 -0.5505 6 O 0.1598 3.7965 0.2575 O.3 1 UNL11 -0.3988 7 O -0.5740 -4.5108 0.1017 O.3 1 UNL11 -0.3386 8 O 2.3707 3.6844 -0.0119 O.2 1 UNL11 -0.4113 9 O 2.2320 -4.2530 -0.4103 O.3 1 UNL11 -0.3394 10 O 6.4740 0.8175 1.5241 O.3 1 UNL11 -0.3413 11 O 7.3263 1.1946 -0.6417 O.3 1 UNL11 -0.3439 12 C -5.3357 -0.0129 0.6700 C.3 1 UNL11 0.0078 13 C -4.3672 -0.6234 -0.3591 C.3 1 UNL11 0.0505 14 C -5.6107 1.4695 0.3225 C.3 1 UNL11 0.0330 15 C -3.1450 0.2762 -0.6487 C.3 1 UNL11 0.2720 16 C -4.2813 2.2156 0.1573 C.3 1 UNL11 -0.0509 17 C -0.9737 0.2895 0.2400 C.ar 1 UNL11 0.1895 18 C -0.3951 1.5228 0.2219 C.ar 1 UNL11 -0.0896 19 C -0.1671 -0.8871 0.0950 C.ar 1 UNL11 -0.0219 20 C 1.0159 1.6432 0.0546 C.ar 1 UNL11 -0.1664 21 C 1.8268 0.5558 -0.0984 C.ar 1 UNL11 0.0742 22 C 1.2310 -0.7498 -0.0758 C.ar 1 UNL11 -0.0212 23 C -0.9639 2.8979 0.3481 C.3 1 UNL11 -0.0257 24 C 3.2755 0.7052 -0.2881 C.ar 1 UNL11 -0.0330 25 C 1.3390 3.0887 0.0831 C.2 1 UNL11 0.5922 26 C -0.7590 -2.1727 0.1138 C.ar 1 UNL11 -0.2033 27 C 2.0261 -1.9164 -0.2138 C.ar 1 UNL11 -0.1784 28 C -4.3646 -1.1508 2.5281 C.3 1 UNL11 -0.1951 29 C -7.6391 1.3671 -0.9217 C.3 1 UNL11 -0.2051 30 C 0.0300 -3.2897 -0.0278 C.ar 1 UNL11 0.1609 31 C 1.4384 -3.1573 -0.1862 C.ar 1 UNL11 0.1293 32 C 4.1113 0.6443 0.8475 C.ar 1 UNL11 -0.1748 33 C 3.7766 0.9212 -1.5689 C.ar 1 UNL11 -0.1254 34 C 5.4506 0.8227 0.6088 C.ar 1 UNL11 0.1318 35 C 5.9628 1.0477 -0.6919 C.ar 1 UNL11 0.1375 36 C 5.1531 1.0993 -1.8002 C.ar 1 UNL11 -0.1840 37 C 7.6697 1.0872 0.7583 C.3 1 UNL11 0.1578 38 C -0.4991 -5.3100 -1.0783 C.3 1 UNL11 -0.1978 39 C 2.4115 -5.0496 0.7606 C.3 1 UNL11 -0.1979 40 H -6.2759 -0.6065 0.6988 H 1 UNL11 0.1350 41 H -4.0477 -1.6516 -0.0788 H 1 UNL11 0.1597 42 H -6.2380 1.9487 1.1043 H 1 UNL11 0.1417 43 H -2.6266 0.0177 -1.6000 H 1 UNL11 0.1581 44 H -3.7407 2.2497 1.1237 H 1 UNL11 0.1532 45 H -4.4278 3.2328 -0.2554 H 1 UNL11 0.1576 46 H -1.4349 3.0994 1.3260 H 1 UNL11 0.1560 47 H -1.6457 3.1780 -0.4778 H 1 UNL11 0.1717 48 H -5.5018 0.0449 -1.8224 H 1 UNL11 0.3489 49 H -1.8361 -2.2719 0.2475 H 1 UNL11 0.1811 50 H 3.1078 -1.8272 -0.3390 H 1 UNL11 0.1887 51 H -5.1032 -1.9467 2.4088 H 1 UNL11 0.1203 52 H -4.2371 -0.9011 3.5904 H 1 UNL11 0.1485 53 H -3.3963 -1.4294 2.0935 H 1 UNL11 0.1417 54 H -7.9066 0.3678 -0.5658 H 1 UNL11 0.1269 55 H -8.1187 2.1417 -0.3148 H 1 UNL11 0.1301 56 H -7.9209 1.4850 -1.9775 H 1 UNL11 0.1535 57 H 3.7096 0.4820 1.8427 H 1 UNL11 0.1810 58 H 3.0917 0.9653 -2.4165 H 1 UNL11 0.1666 59 H 5.5429 1.2777 -2.7966 H 1 UNL11 0.1743 60 H 8.3417 0.2265 0.8732 H 1 UNL11 0.1393 61 H 8.0646 2.0604 1.0830 H 1 UNL11 0.1434 62 H -1.0031 -4.8063 -1.9089 H 1 UNL11 0.1353 63 H 0.5396 -5.5426 -1.3365 H 1 UNL11 0.1470 64 H -1.0411 -6.2163 -0.7840 H 1 UNL11 0.1461 65 H 2.9388 -4.4757 1.5293 H 1 UNL11 0.1348 66 H 1.4520 -5.4203 1.1366 H 1 UNL11 0.1420 67 H 3.0344 -5.8746 0.3950 H 1 UNL11 0.1474 @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