@MOLECULE (2s,4as,6as,8ar,10s,12as,14as,14br)-10-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11,12,12a,13,14,14a,14b-icosahydro-2-picenecarboxylic acid 81 85 0 0 0 SMALL GASTEIGER @ATOM 1 O -6.7547 1.8863 -0.8937 O.3 1 UNL11 -0.5714 2 O 5.4731 2.8088 0.6469 O.3 1 UNL11 -0.5689 3 O 6.9327 1.4146 -0.2801 O.2 1 UNL11 -0.5213 4 C 1.2388 -0.1493 0.4056 C.3 1 UNL11 0.0700 5 C 0.3467 -1.4324 0.4590 C.3 1 UNL11 0.0547 6 C 2.7303 -0.5143 0.6730 C.3 1 UNL11 -0.1391 7 C 3.3041 -1.6929 -0.1510 C.3 1 UNL11 0.0938 8 C -1.1174 -1.0537 0.2996 C.2 1 UNL11 -0.0523 9 C 0.8546 -2.3853 -0.6413 C.3 1 UNL11 -0.2914 10 C 0.7421 0.7821 1.5371 C.3 1 UNL11 -0.2994 11 C -3.0864 0.4460 0.7426 C.3 1 UNL11 0.0724 12 C 2.2863 -2.8390 -0.3563 C.3 1 UNL11 -0.2976 13 C -1.5973 0.1195 0.7447 C.2 1 UNL11 -0.0681 14 C 3.6745 0.7128 0.6538 C.3 1 UNL11 -0.2872 15 C -3.7420 -0.3432 -0.4269 C.3 1 UNL11 -0.1373 16 C 3.8160 -1.2287 -1.5261 C.3 1 UNL11 -0.2833 17 C -0.7192 1.1912 1.3195 C.3 1 UNL11 -0.2674 18 C 4.5136 1.0282 -0.6044 C.3 1 UNL11 0.0417 19 C 1.0431 0.5705 -0.9355 C.3 1 UNL11 -0.4640 20 C -1.9807 -2.1100 -0.3235 C.3 1 UNL11 -0.2784 21 C 0.4108 -2.1542 1.8263 C.3 1 UNL11 -0.4560 22 C -5.2315 -0.0341 -0.7274 C.3 1 UNL11 0.0325 23 C -3.4846 -1.8378 -0.2044 C.3 1 UNL11 -0.2763 24 C 4.9479 -0.2136 -1.3944 C.3 1 UNL11 -0.2863 25 C -3.3370 1.9535 0.5045 C.3 1 UNL11 -0.2923 26 C 4.4817 -2.3064 0.6477 C.3 1 UNL11 -0.4712 27 C -5.3883 1.5056 -0.8550 C.3 1 UNL11 0.1388 28 C -4.8238 2.2657 0.3463 C.3 1 UNL11 -0.2970 29 C -3.5929 0.0586 2.1433 C.3 1 UNL11 -0.4537 30 C 3.8575 2.0488 -1.5434 C.3 1 UNL11 -0.4575 31 C -5.5902 -0.6466 -2.1005 C.3 1 UNL11 -0.4699 32 C -6.2077 -0.5908 0.3089 C.3 1 UNL11 -0.4495 33 C 5.7824 1.7139 -0.1001 C.2 1 UNL11 0.6093 34 H 2.7362 -0.8686 1.7444 H 1 UNL11 0.1375 35 H 0.7910 -1.8936 -1.6285 H 1 UNL11 0.1415 36 H 0.2120 -3.2830 -0.7115 H 1 UNL11 0.1354 37 H 1.3694 1.6917 1.5943 H 1 UNL11 0.1376 38 H 0.8560 0.2837 2.5163 H 1 UNL11 0.1395 39 H 2.2790 -3.4914 0.5399 H 1 UNL11 0.1412 40 H 2.6341 -3.4931 -1.1788 H 1 UNL11 0.1339 41 H 3.0948 1.6241 0.9114 H 1 UNL11 0.1576 42 H 4.3752 0.5780 1.5077 H 1 UNL11 0.1412 43 H -3.1760 -0.0349 -1.3488 H 1 UNL11 0.1419 44 H -0.7395 2.0693 0.6361 H 1 UNL11 0.1475 45 H -1.1390 1.5443 2.2844 H 1 UNL11 0.1420 46 H 2.9780 -0.7993 -2.1099 H 1 UNL11 0.1435 47 H 4.1709 -2.0990 -2.1105 H 1 UNL11 0.1351 48 H 1.6173 0.0936 -1.7376 H 1 UNL11 0.1461 49 H -0.0077 0.5684 -1.2489 H 1 UNL11 0.1530 50 H 1.3550 1.6174 -0.8671 H 1 UNL11 0.1469 51 H -1.7141 -2.1963 -1.3996 H 1 UNL11 0.1465 52 H -1.7572 -3.0982 0.1300 H 1 UNL11 0.1447 53 H -0.1190 -1.5865 2.5997 H 1 UNL11 0.1511 54 H -0.0660 -3.1380 1.7662 H 1 UNL11 0.1432 55 H 1.4386 -2.3044 2.1669 H 1 UNL11 0.1455 56 H -4.0342 -2.4514 -0.9406 H 1 UNL11 0.1354 57 H -3.8590 -2.1543 0.7861 H 1 UNL11 0.1438 58 H 5.8272 -0.6914 -0.9121 H 1 UNL11 0.1614 59 H 5.3118 0.0829 -2.3978 H 1 UNL11 0.1448 60 H -2.7851 2.2810 -0.3971 H 1 UNL11 0.1395 61 H -2.9338 2.5470 1.3463 H 1 UNL11 0.1418 62 H 4.1424 -2.7509 1.5880 H 1 UNL11 0.1399 63 H 4.9821 -3.0898 0.0707 H 1 UNL11 0.1442 64 H 5.2345 -1.5529 0.9011 H 1 UNL11 0.1514 65 H -4.9250 1.8647 -1.8023 H 1 UNL11 0.1123 66 H -5.3910 2.0073 1.2602 H 1 UNL11 0.1558 67 H -4.9852 3.3519 0.2053 H 1 UNL11 0.1498 68 H -4.6737 0.2036 2.2410 H 1 UNL11 0.1499 69 H -3.3729 -0.9903 2.3713 H 1 UNL11 0.1492 70 H -3.1093 0.6646 2.9169 H 1 UNL11 0.1427 71 H 3.4143 2.8846 -0.9873 H 1 UNL11 0.1598 72 H 4.5835 2.4752 -2.2473 H 1 UNL11 0.1494 73 H 3.0690 1.5850 -2.1463 H 1 UNL11 0.1615 74 H -5.5691 -1.7416 -2.0648 H 1 UNL11 0.1505 75 H -4.8901 -0.3323 -2.8812 H 1 UNL11 0.1454 76 H -6.5969 -0.3608 -2.4198 H 1 UNL11 0.1369 77 H -6.0969 -1.6724 0.4310 H 1 UNL11 0.1425 78 H -6.0630 -0.1272 1.2928 H 1 UNL11 0.1533 79 H -7.2483 -0.3910 0.0262 H 1 UNL11 0.1474 80 H -7.2550 1.3311 -1.5187 H 1 UNL11 0.3118 81 H 6.2642 3.2934 0.9840 H 1 UNL11 0.3505 @BOND 1 1 27 1 2 1 80 1 3 2 33 1 4 2 81 1 5 3 33 2 6 4 5 1 7 4 6 1 8 4 10 1 9 4 19 1 10 5 8 1 11 5 9 1 12 5 21 1 13 6 7 1 14 6 14 1 15 6 34 1 16 7 12 1 17 7 16 1 18 7 26 1 19 8 13 2 20 8 20 1 21 9 12 1 22 9 35 1 23 9 36 1 24 10 17 1 25 10 37 1 26 10 38 1 27 11 13 1 28 11 15 1 29 11 25 1 30 11 29 1 31 12 39 1 32 12 40 1 33 13 17 1 34 14 18 1 35 14 41 1 36 14 42 1 37 15 22 1 38 15 23 1 39 15 43 1 40 16 24 1 41 16 46 1 42 16 47 1 43 17 44 1 44 17 45 1 45 18 24 1 46 18 30 1 47 18 33 1 48 19 48 1 49 19 49 1 50 19 50 1 51 20 23 1 52 20 51 1 53 20 52 1 54 21 53 1 55 21 54 1 56 21 55 1 57 22 27 1 58 22 31 1 59 22 32 1 60 23 56 1 61 23 57 1 62 24 58 1 63 24 59 1 64 25 28 1 65 25 60 1 66 25 61 1 67 26 62 1 68 26 63 1 69 26 64 1 70 27 28 1 71 27 65 1 72 28 66 1 73 28 67 1 74 29 68 1 75 29 69 1 76 29 70 1 77 30 71 1 78 30 72 1 79 30 73 1 80 31 74 1 81 31 75 1 82 31 76 1 83 32 77 1 84 32 78 1 85 32 79 1