@MOLECULE 4-hydroxy-6,7,8-trimethoxy-3a,4,14,14a-tetrahydrobenzo[3,4]furo[3',4':6,7]cycloocta[1,2-f][1,3]benzodioxol-3(1h)-one 52 56 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.6526 3.7177 1.3083 O.3 1 UNL1111111111 -0.3827 2 O -0.9884 1.8982 -2.5307 O.3 1 UNL1111111111 -0.5464 3 O -2.7640 3.1076 -0.5179 O.2 1 UNL1111111111 -0.4838 4 O 5.3961 0.1859 0.1263 O.3 1 UNL1111111111 -0.3487 5 O 4.6279 -1.6235 -1.1773 O.3 1 UNL1111111111 -0.3374 6 O 0.2959 -2.6806 0.8094 O.3 1 UNL1111111111 -0.2818 7 O -4.1808 -1.3433 -0.2014 O.3 1 UNL1111111111 -0.2906 8 O -2.5560 -3.1847 0.8611 O.3 1 UNL1111111111 -0.3004 9 C 0.5450 2.8407 0.8360 C.3 1 UNL1111111111 -0.1165 10 C -0.3258 2.8136 -0.4370 C.3 1 UNL1111111111 -0.2909 11 C -0.3255 1.5608 -1.3355 C.3 1 UNL1111111111 0.1711 12 C 0.8217 1.4942 1.5133 C.3 1 UNL1111111111 -0.2838 13 C -0.3020 3.7278 1.7849 C.3 1 UNL1111111111 -0.0641 14 C -1.7091 3.1838 0.0500 C.2 1 UNL1111111111 0.6026 15 C 1.7949 0.6560 0.7428 C.ar 1 UNL1111111111 -0.0029 16 C -0.9389 0.3226 -0.7247 C.ar 1 UNL1111111111 0.0436 17 C -0.1005 -0.6418 -0.1670 C.ar 1 UNL1111111111 -0.1770 18 C 1.3397 -0.4048 -0.0464 C.ar 1 UNL1111111111 0.0114 19 C 3.1705 0.9430 0.8613 C.ar 1 UNL1111111111 -0.2196 20 C -2.3173 0.1269 -0.7618 C.ar 1 UNL1111111111 -0.3416 21 C -0.6501 -1.8471 0.3231 C.ar 1 UNL1111111111 0.2432 22 C 2.2295 -1.2520 -0.7412 C.ar 1 UNL1111111111 -0.1653 23 C 4.0255 0.1195 0.1731 C.ar 1 UNL1111111111 0.1316 24 C 3.5640 -0.9635 -0.6106 C.ar 1 UNL1111111111 0.1138 25 C -2.8598 -1.0482 -0.2449 C.ar 1 UNL1111111111 0.2450 26 C -2.0306 -2.0598 0.2820 C.ar 1 UNL1111111111 -0.0483 27 C 5.8003 -0.9148 -0.7197 C.3 1 UNL1111111111 0.1580 28 C -0.1232 -3.8748 1.4596 C.3 1 UNL1111111111 -0.1943 29 C -5.0809 -0.3468 -0.6763 C.3 1 UNL1111111111 -0.2077 30 C -3.2193 -4.0383 -0.0718 C.3 1 UNL1111111111 -0.2119 31 H 1.5213 3.3284 0.6106 H 1 UNL1111111111 0.1543 32 H 0.0158 3.6550 -1.1085 H 1 UNL1111111111 0.1895 33 H 0.7155 1.3542 -1.7015 H 1 UNL1111111111 0.1733 34 H -0.1338 0.9482 1.6817 H 1 UNL1111111111 0.1770 35 H 1.2217 1.6684 2.5368 H 1 UNL1111111111 0.1540 36 H -0.3678 3.3524 2.8182 H 1 UNL1111111111 0.1520 37 H 0.0169 4.7818 1.7887 H 1 UNL1111111111 0.1354 38 H 3.5286 1.7646 1.4707 H 1 UNL1111111111 0.1714 39 H -2.9655 0.8903 -1.1876 H 1 UNL1111111111 0.1872 40 H 1.8620 -2.0843 -1.3354 H 1 UNL1111111111 0.1864 41 H -1.9213 2.1633 -2.3540 H 1 UNL1111111111 0.3337 42 H 6.3939 -1.6071 -0.1071 H 1 UNL1111111111 0.1400 43 H 6.3027 -0.4924 -1.6005 H 1 UNL1111111111 0.1398 44 H -0.5905 -4.5596 0.7466 H 1 UNL1111111111 0.1381 45 H -0.7980 -3.6557 2.2941 H 1 UNL1111111111 0.1468 46 H 0.8316 -4.2763 1.8243 H 1 UNL1111111111 0.1452 47 H -6.0566 -0.8105 -0.4808 H 1 UNL1111111111 0.1505 48 H -4.9414 -0.1729 -1.7474 H 1 UNL1111111111 0.1371 49 H -4.9784 0.5823 -0.1034 H 1 UNL1111111111 0.1489 50 H -3.4350 -4.9272 0.5318 H 1 UNL1111111111 0.1421 51 H -2.5722 -4.2826 -0.9176 H 1 UNL1111111111 0.1289 52 H -4.1510 -3.5771 -0.4169 H 1 UNL1111111111 0.1439 @BOND 1 1 13 1 2 1 14 1 3 2 11 1 4 2 41 1 5 3 14 2 6 4 23 1 7 4 27 1 8 5 24 1 9 5 27 1 10 6 21 1 11 6 28 1 12 7 25 1 13 7 29 1 14 8 26 1 15 8 30 1 16 9 10 1 17 9 12 1 18 9 13 1 19 9 31 1 20 10 11 1 21 10 14 1 22 10 32 1 23 11 16 1 24 11 33 1 25 12 15 1 26 12 34 1 27 12 35 1 28 13 36 1 29 13 37 1 30 15 18 ar 31 15 19 ar 32 16 17 ar 33 16 20 ar 34 17 18 1 35 17 21 ar 36 18 22 ar 37 19 23 ar 38 19 38 1 39 20 25 ar 40 20 39 1 41 21 26 ar 42 22 24 ar 43 22 40 1 44 23 24 ar 45 25 26 ar 46 27 42 1 47 27 43 1 48 28 44 1 49 28 45 1 50 28 46 1 51 29 47 1 52 29 48 1 53 29 49 1 54 30 50 1 55 30 51 1 56 30 52 1