@MOLECULE (1s,17s)-3,7,9-trihydroxy-17-methyl-16,21-dioxapentacyclo[15.3.1.0~2,15~.0~4,13~.0~6,11~]henicosa-2(15),3,6,8,10,13-hexaene-5,12-dione 43 47 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.3603 0.3338 -0.9897 O.3 1 UNL1111111111 -0.4124 2 O -3.2335 -1.5511 -0.1795 O.3 1 UNL1111111111 -0.3879 3 O -0.8237 2.5960 -0.2812 O.3 1 UNL1111111111 -0.3835 4 O 1.6597 2.4983 -0.2026 O.2 1 UNL1111111111 -0.5092 5 O 1.5035 -2.8386 0.1643 O.2 1 UNL1111111111 -0.3860 6 O 4.2111 2.4819 -0.1222 O.3 1 UNL1111111111 -0.4747 7 O 6.3238 -1.7221 0.2153 O.3 1 UNL1111111111 -0.4565 8 C -4.5057 -0.8572 -0.2736 C.3 1 UNL1111111111 0.4757 9 C -3.4550 1.2497 -0.3838 C.3 1 UNL1111111111 0.1529 10 C -5.0212 -0.6241 1.1492 C.3 1 UNL1111111111 -0.3529 11 C -4.0124 1.6820 0.9813 C.3 1 UNL1111111111 -0.3247 12 C -4.2032 0.4497 1.8724 C.3 1 UNL1111111111 -0.2509 13 C -2.1243 0.5814 -0.2646 C.ar 1 UNL1111111111 -0.3871 14 C -2.1181 -0.8120 -0.1810 C.ar 1 UNL1111111111 0.3749 15 C -5.3617 -1.7684 -1.1375 C.3 1 UNL1111111111 -0.4866 16 C -0.8954 1.2549 -0.2365 C.ar 1 UNL1111111111 0.3910 17 C 0.3255 0.5621 -0.1369 C.ar 1 UNL1111111111 -0.3014 18 C -0.9124 -1.5382 -0.0802 C.ar 1 UNL1111111111 -0.2780 19 C 0.2792 -0.8416 -0.0573 C.ar 1 UNL1111111111 0.0269 20 C 1.6043 1.2772 -0.1294 C.2 1 UNL1111111111 0.5487 21 C 1.5376 -1.6360 0.0612 C.2 1 UNL1111111111 0.4319 22 C 2.8441 0.4998 -0.0382 C.ar 1 UNL1111111111 -0.3820 23 C 2.8330 -0.9016 0.0523 C.ar 1 UNL1111111111 0.0329 24 C 4.0922 1.1573 -0.0410 C.ar 1 UNL1111111111 0.4390 25 C 3.9999 -1.6324 0.1366 C.ar 1 UNL1111111111 -0.2710 26 C 5.2293 -0.9363 0.1300 C.ar 1 UNL1111111111 0.3699 27 C 5.3034 0.4439 0.0431 C.ar 1 UNL1111111111 -0.4308 28 H -3.4618 2.0820 -1.1268 H 1 UNL1111111111 0.1443 29 H -4.9946 -1.5746 1.7171 H 1 UNL1111111111 0.1646 30 H -6.0859 -0.3220 1.0983 H 1 UNL1111111111 0.1619 31 H -4.9799 2.2005 0.8370 H 1 UNL1111111111 0.1559 32 H -3.3351 2.4073 1.4673 H 1 UNL1111111111 0.1525 33 H -3.2159 0.0393 2.1686 H 1 UNL1111111111 0.1535 34 H -4.7023 0.7346 2.8179 H 1 UNL1111111111 0.1435 35 H -5.4344 -2.7740 -0.7038 H 1 UNL1111111111 0.1728 36 H -6.3730 -1.3622 -1.2613 H 1 UNL1111111111 0.1699 37 H -4.9264 -1.8748 -2.1437 H 1 UNL1111111111 0.1817 38 H -0.9400 -2.6281 -0.0200 H 1 UNL1111111111 0.2032 39 H -1.7074 3.0218 -0.4383 H 1 UNL1111111111 0.3143 40 H 3.9936 -2.7214 0.2078 H 1 UNL1111111111 0.2004 41 H 6.2425 0.9852 0.0374 H 1 UNL1111111111 0.1884 42 H 3.2798 2.9255 -0.1825 H 1 UNL1111111111 0.3903 43 H 7.1678 -1.2029 0.2067 H 1 UNL1111111111 0.3345 @BOND 1 1 8 1 2 1 9 1 3 2 8 1 4 2 14 1 5 3 16 1 6 3 39 1 7 4 20 2 8 5 21 2 9 6 24 1 10 6 42 1 11 7 26 1 12 7 43 1 13 8 10 1 14 8 15 1 15 9 11 1 16 9 13 1 17 9 28 1 18 10 12 1 19 10 29 1 20 10 30 1 21 11 12 1 22 11 31 1 23 11 32 1 24 12 33 1 25 12 34 1 26 13 14 ar 27 13 16 ar 28 14 18 ar 29 15 35 1 30 15 36 1 31 15 37 1 32 16 17 ar 33 17 19 ar 34 17 20 1 35 18 19 ar 36 18 38 1 37 19 21 1 38 20 22 1 39 21 23 1 40 22 23 ar 41 22 24 ar 42 23 25 ar 43 24 27 ar 44 25 26 ar 45 25 40 1 46 26 27 ar 47 27 41 1