@MOLECULE methyl (4r,4ar,4bs,6as,12as,12br,14r,14as)-4,14-dihydroxy-1,1,4a,6a,12b-pentamethyl-2,3,4,4a,4b,5,6,6a,12,12a,12b,13,14,14a-tetradecahydro-1h-naphtho[2,1-a]xanthene-10-carboxylate 73 77 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.9933 2.1125 0.4299 O.3 1 UNL1111111111 -0.3830 2 O 3.0773 -2.2382 -1.5288 O.3 1 UNL1111111111 -0.5630 3 O 4.4199 2.6059 0.4484 O.3 1 UNL1111111111 -0.5731 4 O -7.5963 -0.5901 0.6514 O.3 1 UNL1111111111 -0.4106 5 O -6.5251 -2.3324 -0.2622 O.2 1 UNL1111111111 -0.5217 6 C 3.4398 0.3921 -0.0302 C.3 1 UNL1111111111 0.0322 7 C 1.9398 0.8063 0.1442 C.3 1 UNL1111111111 -0.1463 8 C 0.9308 -0.1007 -0.6246 C.3 1 UNL1111111111 0.1046 9 C 3.5300 -1.0617 0.5211 C.3 1 UNL1111111111 -0.1788 10 C -0.4937 0.3134 -0.1365 C.3 1 UNL1111111111 -0.1999 11 C 1.1385 -1.5712 -0.1978 C.3 1 UNL1111111111 -0.3711 12 C 2.5998 -2.0443 -0.2101 C.3 1 UNL1111111111 0.1574 13 C 4.9632 -1.6298 0.7096 C.3 1 UNL1111111111 0.1141 14 C 1.6612 2.2847 -0.1764 C.3 1 UNL1111111111 -0.2791 15 C 4.3056 1.2806 0.9224 C.3 1 UNL1111111111 0.1374 16 C -0.8084 1.8050 -0.3573 C.3 1 UNL1111111111 0.2936 17 C 0.2617 2.6865 0.3019 C.3 1 UNL1111111111 -0.3164 18 C 5.7248 -0.6766 1.6621 C.3 1 UNL1111111111 -0.2969 19 C 3.9478 0.5687 -1.4572 C.3 1 UNL1111111111 -0.4627 20 C 5.7323 0.7532 1.1363 C.3 1 UNL1111111111 -0.3285 21 C 1.0502 0.0084 -2.1443 C.3 1 UNL1111111111 -0.4683 22 C -1.6350 -0.5392 -0.7090 C.3 1 UNL1111111111 -0.2688 23 C 4.8712 -3.0026 1.4203 C.3 1 UNL1111111111 -0.4757 24 C 5.7609 -1.8311 -0.5794 C.3 1 UNL1111111111 -0.4615 25 C -1.1329 2.2545 -1.7777 C.3 1 UNL1111111111 -0.4949 26 C -2.9494 -0.0230 -0.2194 C.ar 1 UNL1111111111 -0.1628 27 C -3.0431 1.2753 0.3104 C.ar 1 UNL1111111111 0.3028 28 C -4.0925 -0.8106 -0.2616 C.ar 1 UNL1111111111 -0.0415 29 C -4.2603 1.7778 0.7977 C.ar 1 UNL1111111111 -0.2821 30 C -5.3102 -0.3201 0.2234 C.ar 1 UNL1111111111 -0.2218 31 C -5.3879 0.9713 0.7572 C.ar 1 UNL1111111111 -0.0227 32 C -6.4833 -1.2016 0.1591 C.2 1 UNL1111111111 0.6142 33 C -8.7835 -1.3760 0.6392 C.3 1 UNL1111111111 -0.1678 34 H 1.7144 0.6690 1.2326 H 1 UNL1111111111 0.1339 35 H 3.1090 -1.0033 1.5685 H 1 UNL1111111111 0.1410 36 H -0.5059 0.1616 0.9785 H 1 UNL1111111111 0.1562 37 H 0.5439 -2.2281 -0.8616 H 1 UNL1111111111 0.1467 38 H 0.7378 -1.7275 0.8231 H 1 UNL1111111111 0.1495 39 H 2.6500 -3.0492 0.2838 H 1 UNL1111111111 0.1107 40 H 1.7828 2.4905 -1.2511 H 1 UNL1111111111 0.1393 41 H 2.4061 2.9369 0.3297 H 1 UNL1111111111 0.1777 42 H 3.7870 1.4329 1.8969 H 1 UNL1111111111 0.1370 43 H 0.1921 2.5962 1.4003 H 1 UNL1111111111 0.1565 44 H 0.0663 3.7543 0.0894 H 1 UNL1111111111 0.1534 45 H 6.7636 -1.0311 1.8006 H 1 UNL1111111111 0.1407 46 H 5.2601 -0.7133 2.6662 H 1 UNL1111111111 0.1368 47 H 5.0368 0.6820 -1.4994 H 1 UNL1111111111 0.1374 48 H 3.7157 -0.3121 -2.0771 H 1 UNL1111111111 0.1842 49 H 3.5003 1.4423 -1.9426 H 1 UNL1111111111 0.1438 50 H 6.2570 1.4216 1.8477 H 1 UNL1111111111 0.1497 51 H 6.3117 0.8154 0.1949 H 1 UNL1111111111 0.1448 52 H 1.2229 1.0435 -2.4686 H 1 UNL1111111111 0.1490 53 H 1.8983 -0.5792 -2.5204 H 1 UNL1111111111 0.1671 54 H 0.1565 -0.3537 -2.6579 H 1 UNL1111111111 0.1404 55 H -1.5073 -1.5997 -0.4129 H 1 UNL1111111111 0.1525 56 H -1.6129 -0.5417 -1.8220 H 1 UNL1111111111 0.1567 57 H 4.5010 -3.7784 0.7394 H 1 UNL1111111111 0.1494 58 H 5.8593 -3.3306 1.7650 H 1 UNL1111111111 0.1459 59 H 4.2101 -2.9706 2.2911 H 1 UNL1111111111 0.1391 60 H 6.7269 -2.3020 -0.3735 H 1 UNL1111111111 0.1368 61 H 5.2204 -2.4724 -1.2884 H 1 UNL1111111111 0.1687 62 H 5.9628 -0.8862 -1.0975 H 1 UNL1111111111 0.1470 63 H -1.6228 3.2382 -1.7611 H 1 UNL1111111111 0.1640 64 H -0.2339 2.3468 -2.3912 H 1 UNL1111111111 0.1620 65 H -1.8182 1.5683 -2.2848 H 1 UNL1111111111 0.1594 66 H 2.4657 -2.8051 -2.0344 H 1 UNL1111111111 0.3078 67 H 4.8458 2.6398 -0.4314 H 1 UNL1111111111 0.3179 68 H -4.0493 -1.8251 -0.6708 H 1 UNL1111111111 0.1719 69 H -4.3026 2.7868 1.1967 H 1 UNL1111111111 0.1766 70 H -6.3415 1.3463 1.1426 H 1 UNL1111111111 0.1688 71 H -8.6524 -2.2780 1.2507 H 1 UNL1111111111 0.1397 72 H -9.0464 -1.6515 -0.3901 H 1 UNL1111111111 0.1400 73 H -9.5272 -0.7024 1.0764 H 1 UNL1111111111 0.1424 @BOND 1 1 16 1 2 1 27 1 3 2 12 1 4 2 66 1 5 3 15 1 6 3 67 1 7 4 32 1 8 4 33 1 9 5 32 2 10 6 7 1 11 6 9 1 12 6 15 1 13 6 19 1 14 7 8 1 15 7 14 1 16 7 34 1 17 8 10 1 18 8 11 1 19 8 21 1 20 9 12 1 21 9 13 1 22 9 35 1 23 10 16 1 24 10 22 1 25 10 36 1 26 11 12 1 27 11 37 1 28 11 38 1 29 12 39 1 30 13 18 1 31 13 23 1 32 13 24 1 33 14 17 1 34 14 40 1 35 14 41 1 36 15 20 1 37 15 42 1 38 16 17 1 39 16 25 1 40 17 43 1 41 17 44 1 42 18 20 1 43 18 45 1 44 18 46 1 45 19 47 1 46 19 48 1 47 19 49 1 48 20 50 1 49 20 51 1 50 21 52 1 51 21 53 1 52 21 54 1 53 22 26 1 54 22 55 1 55 22 56 1 56 23 57 1 57 23 58 1 58 23 59 1 59 24 60 1 60 24 61 1 61 24 62 1 62 25 63 1 63 25 64 1 64 25 65 1 65 26 27 ar 66 26 28 ar 67 27 29 ar 68 28 30 ar 69 28 68 1 70 29 31 ar 71 29 69 1 72 30 31 ar 73 30 32 1 74 31 70 1 75 33 71 1 76 33 72 1 77 33 73 1