@MOLECULE (3ar,5s,5ar,12bs,12cr)-5-hydroxy-1-methyl-2,3,3a,4,5,5a,12b,12c-octahydro[1,3]dioxolo[6,7]isochromeno[3,4-g]indol-7(1h)-one 42 46 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.8259 -2.5324 0.1029 O.3 1 UNL111111111 -0.4465 2 O 3.2536 -1.6482 -0.8036 O.3 1 UNL111111111 -0.5556 3 O -0.9373 -3.6436 -0.5278 O.2 1 UNL111111111 -0.4367 4 O -3.6493 1.9986 0.0733 O.3 1 UNL111111111 -0.3367 5 O -4.7451 -0.0907 0.0693 O.3 1 UNL111111111 -0.3310 6 N 1.3819 2.2993 -0.3670 N.3 1 UNL111111111 -0.4161 7 C 1.5698 1.1452 0.5595 C.3 1 UNL111111111 0.0400 8 C 3.1191 0.9838 0.6776 C.3 1 UNL111111111 -0.1304 9 C 0.8846 -0.0973 -0.0661 C.3 1 UNL111111111 -0.1879 10 C 1.3575 -1.3483 0.6858 C.3 1 UNL111111111 0.0610 11 C 3.6244 -0.3740 1.1550 C.3 1 UNL111111111 -0.3186 12 C 3.6302 1.3675 -0.7260 C.3 1 UNL111111111 -0.3196 13 C 2.8780 -1.5647 0.5562 C.3 1 UNL111111111 0.1386 14 C 2.5115 2.2424 -1.3363 C.3 1 UNL111111111 -0.1143 15 C -0.6188 -0.0846 -0.0363 C.ar 1 UNL111111111 0.0822 16 C 1.3484 3.5854 0.3603 C.3 1 UNL111111111 -0.2832 17 C -1.2763 -1.3208 -0.0672 C.ar 1 UNL111111111 -0.2256 18 C -1.3588 1.1102 -0.0095 C.ar 1 UNL111111111 -0.2310 19 C -0.5132 -2.5720 -0.1826 C.2 1 UNL111111111 0.6167 20 C -2.6815 -1.4421 -0.0353 C.ar 1 UNL111111111 -0.1034 21 C -2.7273 0.9886 0.0291 C.ar 1 UNL111111111 0.1841 22 C -3.3824 -0.2663 0.0242 C.ar 1 UNL111111111 0.0797 23 C -4.9394 1.3401 0.0909 C.3 1 UNL111111111 0.1547 24 H 1.1130 1.3510 1.5525 H 1 UNL111111111 0.1353 25 H 3.4764 1.7528 1.4065 H 1 UNL111111111 0.1298 26 H 1.2119 -0.1655 -1.1426 H 1 UNL111111111 0.1999 27 H 1.0391 -1.3327 1.7516 H 1 UNL111111111 0.1406 28 H 4.7031 -0.4693 0.9007 H 1 UNL111111111 0.1685 29 H 3.5698 -0.4312 2.2600 H 1 UNL111111111 0.1453 30 H 3.8028 0.4644 -1.3422 H 1 UNL111111111 0.1772 31 H 4.5912 1.8958 -0.6796 H 1 UNL111111111 0.1340 32 H 3.1788 -2.5241 1.0411 H 1 UNL111111111 0.1350 33 H 2.8737 3.2488 -1.6079 H 1 UNL111111111 0.1289 34 H 2.1103 1.7853 -2.2666 H 1 UNL111111111 0.1487 35 H 1.1350 4.3907 -0.3637 H 1 UNL111111111 0.1503 36 H 2.2768 3.8344 0.8941 H 1 UNL111111111 0.1212 37 H 0.5196 3.5771 1.0877 H 1 UNL111111111 0.1445 38 H -0.8765 2.0868 -0.0488 H 1 UNL111111111 0.2106 39 H 2.6895 -2.3157 -1.2579 H 1 UNL111111111 0.3339 40 H -3.1641 -2.4194 -0.0668 H 1 UNL111111111 0.1926 41 H -5.4708 1.6231 -0.8284 H 1 UNL111111111 0.1430 42 H -5.4334 1.5996 1.0369 H 1 UNL111111111 0.1407 @BOND 1 1 10 1 2 1 19 1 3 2 13 1 4 2 39 1 5 3 19 2 6 4 21 1 7 4 23 1 8 5 22 1 9 5 23 1 10 6 7 1 11 6 14 1 12 6 16 1 13 7 8 1 14 7 9 1 15 7 24 1 16 8 11 1 17 8 12 1 18 8 25 1 19 9 10 1 20 9 15 1 21 9 26 1 22 10 13 1 23 10 27 1 24 11 13 1 25 11 28 1 26 11 29 1 27 12 14 1 28 12 30 1 29 12 31 1 30 13 32 1 31 14 33 1 32 14 34 1 33 15 17 ar 34 15 18 ar 35 16 35 1 36 16 36 1 37 16 37 1 38 17 19 1 39 17 20 ar 40 18 21 ar 41 18 38 1 42 20 22 ar 43 20 40 1 44 21 22 ar 45 23 41 1 46 23 42 1