@MOLECULE (1r,3s,5r,8s,9s,12r,13r,14s)-1-hydroxy-14-isopropyl-13-methyl-4,7,10-trioxapentacyclo[6.4.1.1~9,12~.0~3,5~.0~5,13~]tetradecane-6,11-dione 39 43 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.6864 1.1862 -1.0628 O.3 1 UNL111111111 -0.2781 2 O -1.2309 -2.0640 -0.4455 O.3 1 UNL111111111 -0.3811 3 O 1.1877 2.0094 -0.9794 O.3 1 UNL111111111 -0.5532 4 O -0.0328 -1.0910 1.7786 O.3 1 UNL111111111 -0.3697 5 O -3.3979 -1.6930 -0.0720 O.2 1 UNL111111111 -0.3734 6 O -0.4341 0.7778 2.9436 O.2 1 UNL111111111 -0.4234 7 C -0.4152 0.1298 -0.9904 C.3 1 UNL111111111 -0.0603 8 C -1.8687 0.1703 -0.5144 C.3 1 UNL111111111 -0.0377 9 C 0.2693 1.3037 -0.1921 C.3 1 UNL111111111 0.3160 10 C -2.1521 1.4205 0.2483 C.3 1 UNL111111111 0.0529 11 C -0.0150 -1.3267 -0.6277 C.3 1 UNL111111111 0.0523 12 C -0.8888 2.2532 0.2628 C.3 1 UNL111111111 -0.3838 13 C 1.1071 0.8239 1.0101 C.3 1 UNL111111111 -0.2692 14 C 0.7991 -1.4671 0.6655 C.3 1 UNL111111111 0.0572 15 C 1.9519 -0.4338 0.6916 C.3 1 UNL111111111 -0.1623 16 C -2.3235 -1.2308 -0.3027 C.2 1 UNL111111111 0.5781 17 C -0.3213 0.3451 -2.4914 C.3 1 UNL111111111 -0.4531 18 C 0.1394 0.2494 2.0391 C.2 1 UNL111111111 0.5669 19 C 2.8349 -0.3721 -0.5578 C.3 1 UNL111111111 -0.0583 20 C 3.9238 0.6902 -0.3681 C.3 1 UNL111111111 -0.4517 21 C 3.4784 -1.7407 -0.8115 C.3 1 UNL111111111 -0.4606 22 H -2.8845 1.5227 1.0456 H 1 UNL111111111 0.1850 23 H 0.4910 -1.8504 -1.4689 H 1 UNL111111111 0.1627 24 H -0.9721 3.1193 -0.4197 H 1 UNL111111111 0.1759 25 H -0.6912 2.6856 1.2618 H 1 UNL111111111 0.1875 26 H 1.7205 1.6581 1.4064 H 1 UNL111111111 0.1938 27 H 1.0821 -2.5129 0.8831 H 1 UNL111111111 0.1699 28 H 2.6151 -0.6540 1.5658 H 1 UNL111111111 0.1609 29 H -0.8202 -0.4642 -3.0459 H 1 UNL111111111 0.1684 30 H -0.8247 1.2736 -2.7989 H 1 UNL111111111 0.1645 31 H 0.7187 0.3882 -2.8403 H 1 UNL111111111 0.1592 32 H 2.2228 -0.0851 -1.4478 H 1 UNL111111111 0.1494 33 H 0.7530 2.4622 -1.7316 H 1 UNL111111111 0.3282 34 H 4.5413 0.4960 0.5138 H 1 UNL111111111 0.1419 35 H 4.5917 0.7303 -1.2353 H 1 UNL111111111 0.1441 36 H 3.4840 1.6914 -0.2606 H 1 UNL111111111 0.1610 37 H 4.0894 -2.0648 0.0385 H 1 UNL111111111 0.1492 38 H 4.1395 -1.7048 -1.6856 H 1 UNL111111111 0.1486 39 H 2.7329 -2.5186 -1.0027 H 1 UNL111111111 0.1424 @BOND 1 1 8 1 2 1 10 1 3 2 11 1 4 2 16 1 5 3 9 1 6 3 33 1 7 4 14 1 8 4 18 1 9 5 16 2 10 6 18 2 11 7 8 1 12 7 9 1 13 7 11 1 14 7 17 1 15 8 10 1 16 8 16 1 17 9 12 1 18 9 13 1 19 10 12 1 20 10 22 1 21 11 14 1 22 11 23 1 23 12 24 1 24 12 25 1 25 13 15 1 26 13 18 1 27 13 26 1 28 14 15 1 29 14 27 1 30 15 19 1 31 15 28 1 32 17 29 1 33 17 30 1 34 17 31 1 35 19 20 1 36 19 21 1 37 19 32 1 38 20 34 1 39 20 35 1 40 20 36 1 41 21 37 1 42 21 38 1 43 21 39 1