@MOLECULE (5s,5as,12bs,12cs)-5-hydroxy-1-methyl-2,3,5,5a,12b,12c-hexahydro[1,3]dioxolo[6,7]isochromeno[3,4-g]indol-7(1h)-one 40 44 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.0636 -2.1820 0.3034 O.3 1 UNL1111111111 -0.4318 2 O 3.1280 -1.3056 -2.3929 O.3 1 UNL1111111111 -0.5463 3 O -3.9481 1.4809 -1.0074 O.3 1 UNL1111111111 -0.3367 4 O -4.6888 -0.2541 0.4088 O.3 1 UNL1111111111 -0.3294 5 O -0.2979 -2.7821 1.8968 O.2 1 UNL1111111111 -0.4308 6 N 1.3211 2.1562 0.7752 N.3 1 UNL1111111111 -0.3876 7 C 1.5536 0.7020 0.5278 C.3 1 UNL1111111111 0.0261 8 C 0.8123 0.0567 -0.6592 C.3 1 UNL1111111111 -0.1987 9 C 1.3220 -1.3836 -0.8461 C.3 1 UNL1111111111 0.0778 10 C 3.0553 0.5394 0.3830 C.2 1 UNL1111111111 -0.0015 11 C 2.8601 -1.4930 -1.0113 C.3 1 UNL1111111111 0.1332 12 C 3.7135 1.6730 1.1037 C.3 1 UNL1111111111 -0.3272 13 C 2.5282 2.5705 1.5539 C.3 1 UNL1111111111 -0.1172 14 C -0.6605 -0.0327 -0.3884 C.ar 1 UNL1111111111 0.0765 15 C 3.6453 -0.4305 -0.3095 C.2 1 UNL1111111111 -0.2392 16 C -1.1042 -1.0783 0.4249 C.ar 1 UNL1111111111 -0.2103 17 C 1.1954 2.9639 -0.4541 C.3 1 UNL1111111111 -0.2872 18 C -1.5628 0.8897 -0.9463 C.ar 1 UNL1111111111 -0.2316 19 C -0.1371 -2.0586 0.9495 C.2 1 UNL1111111111 0.6108 20 C -2.4589 -1.2439 0.7743 C.ar 1 UNL1111111111 -0.0984 21 C -2.8852 0.7206 -0.6071 C.ar 1 UNL1111111111 0.1910 22 C -3.3264 -0.3246 0.2415 C.ar 1 UNL1111111111 0.0835 23 C -5.1061 0.8920 -0.3641 C.3 1 UNL1111111111 0.1560 24 H 1.2218 0.1890 1.4790 H 1 UNL1111111111 0.1753 25 H 1.0293 0.6268 -1.5969 H 1 UNL1111111111 0.1831 26 H 0.8072 -1.8704 -1.7068 H 1 UNL1111111111 0.1457 27 H 3.1985 -2.5083 -0.6869 H 1 UNL1111111111 0.1472 28 H 4.3101 1.3243 1.9645 H 1 UNL1111111111 0.1621 29 H 4.4101 2.2234 0.4476 H 1 UNL1111111111 0.1562 30 H 2.2897 2.4051 2.6259 H 1 UNL1111111111 0.1499 31 H 2.7449 3.6441 1.4324 H 1 UNL1111111111 0.1354 32 H 4.7225 -0.5025 -0.4339 H 1 UNL1111111111 0.1674 33 H 1.1468 4.0309 -0.1787 H 1 UNL1111111111 0.1468 34 H 0.2378 2.7261 -0.9447 H 1 UNL1111111111 0.1469 35 H 2.0124 2.8274 -1.1781 H 1 UNL1111111111 0.1269 36 H -1.2369 1.6921 -1.6004 H 1 UNL1111111111 0.1815 37 H 3.0719 -2.1512 -2.8788 H 1 UNL1111111111 0.3144 38 H -2.7793 -2.0535 1.4303 H 1 UNL1111111111 0.1935 39 H -5.7823 0.5387 -1.1545 H 1 UNL1111111111 0.1424 40 H -5.5170 1.6378 0.3305 H 1 UNL1111111111 0.1445 @BOND 1 1 9 1 2 1 19 1 3 2 11 1 4 2 37 1 5 3 21 1 6 3 23 1 7 4 22 1 8 4 23 1 9 5 19 2 10 6 7 1 11 6 13 1 12 6 17 1 13 7 8 1 14 7 10 1 15 7 24 1 16 8 9 1 17 8 14 1 18 8 25 1 19 9 11 1 20 9 26 1 21 10 12 1 22 10 15 2 23 11 15 1 24 11 27 1 25 12 13 1 26 12 28 1 27 12 29 1 28 13 30 1 29 13 31 1 30 14 16 ar 31 14 18 ar 32 15 32 1 33 16 19 1 34 16 20 ar 35 17 33 1 36 17 34 1 37 17 35 1 38 18 21 ar 39 18 36 1 40 20 22 ar 41 20 38 1 42 21 22 ar 43 23 39 1 44 23 40 1