@MOLECULE (1r,13r,15z)-15-ethyl-18,18-dihydroxy-16-methyl-14,17-dioxatetracyclo[11.3.3.0~2,11~.0~4,9~]nonadeca-4(9),6,10,15-tetraene-3,5,8-trione 47 50 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.9863 1.6868 -0.5208 O.3 1 UNL1111111111 -0.5432 2 O 2.2884 -1.5395 0.7244 O.2 1 UNL1111111111 -0.3541 3 O 3.6140 0.1023 -0.8501 O.3 1 UNL1111111111 -0.5823 4 O 4.0842 2.1993 -0.0985 O.3 1 UNL1111111111 -0.5760 5 O -1.5431 2.9279 0.1586 O.2 1 UNL1111111111 -0.3879 6 O -3.4196 1.8329 -1.7509 O.2 1 UNL1111111111 -0.3617 7 O -3.3646 -2.5720 0.9624 O.2 1 UNL1111111111 -0.3770 8 C -0.0144 1.2095 0.7484 C.3 1 UNL1111111111 -0.3210 9 C 0.7795 0.9701 -0.5787 C.3 1 UNL1111111111 0.2314 10 C 2.3832 -0.5859 1.7494 C.3 1 UNL1111111111 0.1500 11 C -0.1145 -0.0295 1.5685 C.2 1 UNL1111111111 0.1431 12 C 1.0356 -0.3557 2.4564 C.3 1 UNL1111111111 -0.3656 13 C 3.1715 0.6796 1.4204 C.3 1 UNL1111111111 -0.3897 14 C 0.8826 -0.4550 -0.9936 C.2 1 UNL1111111111 -0.3149 15 C 3.1751 1.1322 -0.0285 C.3 1 UNL1111111111 0.7161 16 C -1.3706 1.7483 0.3119 C.2 1 UNL1111111111 0.4700 17 C 1.5766 -1.4575 -0.4227 C.2 1 UNL1111111111 0.3247 18 C -1.2269 -0.7986 1.5556 C.2 1 UNL1111111111 -0.2736 19 C -2.4240 0.7408 0.0905 C.2 1 UNL1111111111 -0.2853 20 C -2.3565 -0.4445 0.7344 C.2 1 UNL1111111111 0.0433 21 C 0.0983 -0.7155 -2.2465 C.3 1 UNL1111111111 -0.4060 22 C 1.7297 -2.8426 -1.0111 C.3 1 UNL1111111111 -0.2786 23 C -3.5232 1.0476 -0.8436 C.2 1 UNL1111111111 0.4486 24 C -3.4816 -1.4280 0.6030 C.2 1 UNL1111111111 0.4210 25 C 2.7344 -2.8044 -2.1613 C.3 1 UNL1111111111 -0.4261 26 C -4.7689 0.2486 -0.6486 C.2 1 UNL1111111111 -0.1835 27 C -4.7406 -0.9100 0.0137 C.2 1 UNL1111111111 -0.2276 28 H 0.5197 2.0210 1.3140 H 1 UNL1111111111 0.2066 29 H 0.2928 1.5853 -1.3979 H 1 UNL1111111111 0.1681 30 H 3.0219 -1.2091 2.4485 H 1 UNL1111111111 0.1505 31 H 1.1523 0.4502 3.2163 H 1 UNL1111111111 0.1730 32 H 0.8061 -1.2719 3.0501 H 1 UNL1111111111 0.1690 33 H 2.8312 1.5335 2.0452 H 1 UNL1111111111 0.1818 34 H 4.2420 0.5215 1.7037 H 1 UNL1111111111 0.1905 35 H -1.3030 -1.7218 2.1328 H 1 UNL1111111111 0.1855 36 H 0.6486 -0.3798 -3.1372 H 1 UNL1111111111 0.1511 37 H -0.8669 -0.1866 -2.2380 H 1 UNL1111111111 0.1511 38 H -0.1433 -1.7758 -2.3949 H 1 UNL1111111111 0.1501 39 H 2.0801 -3.5552 -0.2304 H 1 UNL1111111111 0.1644 40 H 0.7472 -3.2332 -1.3420 H 1 UNL1111111111 0.1588 41 H 3.3997 0.2532 -1.7939 H 1 UNL1111111111 0.3426 42 H 3.9064 2.7927 -0.8591 H 1 UNL1111111111 0.3444 43 H 2.9339 -3.8091 -2.5495 H 1 UNL1111111111 0.1462 44 H 3.6931 -2.3803 -1.8268 H 1 UNL1111111111 0.1625 45 H 2.3745 -2.1875 -2.9926 H 1 UNL1111111111 0.1468 46 H -5.6689 0.6660 -1.1006 H 1 UNL1111111111 0.1810 47 H -5.6168 -1.5438 0.1568 H 1 UNL1111111111 0.1820 @BOND 1 1 9 1 2 1 15 1 3 2 10 1 4 2 17 1 5 3 15 1 6 3 41 1 7 4 15 1 8 4 42 1 9 5 16 2 10 6 23 2 11 7 24 2 12 8 9 1 13 8 11 1 14 8 16 1 15 8 28 1 16 9 14 1 17 9 29 1 18 10 12 1 19 10 13 1 20 10 30 1 21 11 12 1 22 11 18 2 23 12 31 1 24 12 32 1 25 13 15 1 26 13 33 1 27 13 34 1 28 14 17 2 29 14 21 1 30 16 19 1 31 17 22 1 32 18 20 1 33 18 35 1 34 19 20 2 35 19 23 1 36 20 24 1 37 21 36 1 38 21 37 1 39 21 38 1 40 22 25 1 41 22 39 1 42 22 40 1 43 23 26 1 44 24 27 1 45 25 43 1 46 25 44 1 47 25 45 1 48 26 27 2 49 26 46 1 50 27 47 1