@MOLECULE (1s)-1,4-dihydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-1,3-dihydro-7h-2,6,12-trioxabenzo[5,6]cyclohepta[1,2-e]indene-11-carbaldehyde 42 45 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.3262 0.2916 1.2381 O.3 1 UNL1111111111 -0.2549 2 O 3.2277 2.5150 -0.1480 O.3 1 UNL1111111111 -0.4644 3 O 0.1416 -2.5315 0.7419 O.3 1 UNL1111111111 -0.3660 4 O 2.0273 2.4412 1.8126 O.3 1 UNL1111111111 -0.5380 5 O 4.2771 -1.5954 -1.1888 O.3 1 UNL1111111111 -0.4296 6 O 4.9757 1.4067 -1.0386 O.2 1 UNL1111111111 -0.4625 7 O -4.1645 2.1263 -0.6110 O.3 1 UNL1111111111 -0.3043 8 O -1.7575 -3.3957 1.2427 O.2 1 UNL1111111111 -0.4123 9 O -0.9454 3.1107 -0.0898 O.2 1 UNL1111111111 -0.4321 10 C 1.7904 0.6987 0.2576 C.ar 1 UNL1111111111 0.0131 11 C 0.7905 -0.1846 0.5782 C.ar 1 UNL1111111111 0.0416 12 C 2.9789 0.2296 -0.3375 C.ar 1 UNL1111111111 -0.3786 13 C 1.9440 2.1944 0.4458 C.3 1 UNL1111111111 0.3719 14 C 0.9903 -1.5652 0.3229 C.ar 1 UNL1111111111 0.2421 15 C 2.1511 -2.0488 -0.2805 C.ar 1 UNL1111111111 -0.1126 16 C 3.1640 -1.1158 -0.6116 C.ar 1 UNL1111111111 0.3648 17 C -1.4877 0.0628 0.5373 C.ar 1 UNL1111111111 0.3632 18 C -1.9259 -1.2389 0.2629 C.ar 1 UNL1111111111 -0.3860 19 C 3.8759 1.3674 -0.5635 C.2 1 UNL1111111111 0.6521 20 C -3.1506 -1.4102 -0.4135 C.ar 1 UNL1111111111 0.2536 21 C -2.2539 1.1831 0.2432 C.ar 1 UNL1111111111 -0.3700 22 C 2.3488 -3.4954 -0.5359 C.3 1 UNL1111111111 -0.4104 23 C -1.2378 -2.4151 0.7816 C.2 1 UNL1111111111 0.6363 24 C -3.4910 0.9795 -0.3937 C.ar 1 UNL1111111111 0.3623 25 C -3.9254 -0.2998 -0.7478 C.ar 1 UNL1111111111 -0.4031 26 C -3.6353 -2.7699 -0.7635 C.3 1 UNL1111111111 -0.4810 27 C -1.7964 2.5595 0.5585 C.2 1 UNL1111111111 0.4198 28 C -5.4171 2.0471 -1.2844 C.3 1 UNL1111111111 -0.1970 29 H 1.2102 2.8642 -0.0476 H 1 UNL1111111111 0.1832 30 H 2.9929 -3.6793 -1.4103 H 1 UNL1111111111 0.1668 31 H 2.8297 -3.9874 0.3264 H 1 UNL1111111111 0.1688 32 H 1.3989 -4.0250 -0.7082 H 1 UNL1111111111 0.1644 33 H -4.8657 -0.4409 -1.2711 H 1 UNL1111111111 0.1800 34 H -2.8550 -3.3821 -1.2445 H 1 UNL1111111111 0.1799 35 H -3.9342 -3.3268 0.1471 H 1 UNL1111111111 0.1987 36 H -4.5023 -2.7652 -1.4355 H 1 UNL1111111111 0.1626 37 H 2.6265 3.2030 1.9957 H 1 UNL1111111111 0.3462 38 H 4.9351 -0.8554 -1.3728 H 1 UNL1111111111 0.3608 39 H -2.2863 3.0554 1.4063 H 1 UNL1111111111 0.1252 40 H -6.1373 1.4654 -0.7006 H 1 UNL1111111111 0.1411 41 H -5.2917 1.6437 -2.2942 H 1 UNL1111111111 0.1420 42 H -5.7170 3.1048 -1.3275 H 1 UNL1111111111 0.1626 @BOND 1 1 11 1 2 1 17 1 3 2 13 1 4 2 19 1 5 3 14 1 6 3 23 1 7 4 13 1 8 4 37 1 9 5 16 1 10 5 38 1 11 6 19 2 12 7 24 1 13 7 28 1 14 8 23 2 15 9 27 2 16 10 11 ar 17 10 12 ar 18 10 13 1 19 11 14 ar 20 12 16 ar 21 12 19 1 22 13 29 1 23 14 15 ar 24 15 16 ar 25 15 22 1 26 17 18 ar 27 17 21 ar 28 18 20 ar 29 18 23 1 30 20 25 ar 31 20 26 1 32 21 24 ar 33 21 27 1 34 22 30 1 35 22 31 1 36 22 32 1 37 24 25 ar 38 25 33 1 39 26 34 1 40 26 35 1 41 26 36 1 42 27 39 1 43 28 40 1 44 28 41 1 45 28 42 1