@MOLECULE (2r,4as,6as,10s,12as,14as)-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 -3.2824 -3.0775 -0.9266 O.3 1 UNL1111111111 -0.5611 2 O 5.7573 -1.1382 0.0485 O.3 1 UNL1111111111 -0.5683 3 O 5.0844 -2.9862 1.0756 O.2 1 UNL1111111111 -0.5180 4 C 1.4710 1.7154 0.8446 C.3 1 UNL1111111111 0.0716 5 C 0.3364 2.4950 0.1109 C.3 1 UNL1111111111 0.0632 6 C 1.8517 0.4369 0.0350 C.3 1 UNL1111111111 -0.1363 7 C 1.9703 0.6373 -1.5006 C.3 1 UNL1111111111 0.0953 8 C -0.9476 1.6716 0.0860 C.2 1 UNL1111111111 -0.0413 9 C 0.8381 2.9428 -1.2867 C.3 1 UNL1111111111 -0.2894 10 C 0.9310 1.2927 2.2325 C.3 1 UNL1111111111 -0.2972 11 C -2.5404 -0.0404 1.0264 C.3 1 UNL1111111111 0.0746 12 C 1.9929 2.1259 -1.8774 C.3 1 UNL1111111111 -0.2981 13 C -1.2209 0.7261 1.0008 C.2 1 UNL1111111111 -0.0821 14 C 3.1223 -0.2090 0.6145 C.3 1 UNL1111111111 -0.2899 15 C -3.1172 -0.0458 -0.4168 C.3 1 UNL1111111111 -0.1357 16 C 3.2784 0.0041 -2.0410 C.3 1 UNL1111111111 -0.2905 17 C -0.2889 0.3765 2.1227 C.3 1 UNL1111111111 -0.2727 18 C 3.4187 -1.5674 -0.0483 C.3 1 UNL1111111111 0.0227 19 C 2.6938 2.6125 1.1110 C.3 1 UNL1111111111 -0.4669 20 C -1.9322 2.0747 -0.9770 C.3 1 UNL1111111111 -0.2831 21 C -0.0628 3.7838 0.8790 C.3 1 UNL1111111111 -0.4613 22 C -4.3749 -0.9123 -0.6617 C.3 1 UNL1111111111 0.0344 23 C -3.3064 1.4084 -0.8594 C.3 1 UNL1111111111 -0.2772 24 C 3.4428 -1.4485 -1.5866 C.3 1 UNL1111111111 -0.2710 25 C -2.3250 -1.5107 1.4548 C.3 1 UNL1111111111 -0.2826 26 C 0.7833 -0.0456 -2.2096 C.3 1 UNL1111111111 -0.4694 27 C -4.1522 -2.3403 -0.0925 C.3 1 UNL1111111111 0.1381 28 C -3.6052 -2.3396 1.3380 C.3 1 UNL1111111111 -0.3306 29 C -3.4224 0.6731 2.0656 C.3 1 UNL1111111111 -0.4540 30 C 2.4099 -2.6303 0.3997 C.3 1 UNL1111111111 -0.4497 31 C -4.5901 -1.0580 -2.1826 C.3 1 UNL1111111111 -0.4547 32 C -5.6628 -0.3374 -0.0621 C.3 1 UNL1111111111 -0.4625 33 C 4.7878 -2.0133 0.4338 C.2 1 UNL1111111111 0.6114 34 H 1.0147 -0.2935 0.1881 H 1 UNL1111111111 0.1543 35 H 1.1731 3.9988 -1.2225 H 1 UNL1111111111 0.1367 36 H 0.0086 2.9616 -2.0145 H 1 UNL1111111111 0.1383 37 H 0.6733 2.1966 2.8156 H 1 UNL1111111111 0.1408 38 H 1.7243 0.7886 2.8150 H 1 UNL1111111111 0.1376 39 H 1.9814 2.2291 -2.9794 H 1 UNL1111111111 0.1330 40 H 2.9587 2.5667 -1.5573 H 1 UNL1111111111 0.1379 41 H 3.9882 0.4693 0.4723 H 1 UNL1111111111 0.1606 42 H 3.0136 -0.3431 1.7072 H 1 UNL1111111111 0.1425 43 H -2.3124 -0.4930 -1.0640 H 1 UNL1111111111 0.1393 44 H -0.8423 0.3997 3.0859 H 1 UNL1111111111 0.1445 45 H 0.0602 -0.6728 2.0032 H 1 UNL1111111111 0.1475 46 H 4.1538 0.5969 -1.7123 H 1 UNL1111111111 0.1461 47 H 3.2851 0.0528 -3.1449 H 1 UNL1111111111 0.1341 48 H 3.2236 2.8685 0.1882 H 1 UNL1111111111 0.1507 49 H 3.4149 2.1235 1.7747 H 1 UNL1111111111 0.1441 50 H 2.4099 3.5526 1.5945 H 1 UNL1111111111 0.1438 51 H -2.0627 3.1771 -0.9593 H 1 UNL1111111111 0.1464 52 H -1.5101 1.8352 -1.9793 H 1 UNL1111111111 0.1506 53 H 0.7967 4.4339 1.0626 H 1 UNL1111111111 0.1444 54 H -0.5186 3.5445 1.8459 H 1 UNL1111111111 0.1512 55 H -0.7984 4.3637 0.3126 H 1 UNL1111111111 0.1416 56 H -3.9454 1.9546 -0.1427 H 1 UNL1111111111 0.1419 57 H -3.8324 1.4642 -1.8301 H 1 UNL1111111111 0.1375 58 H 2.6411 -2.0704 -2.0301 H 1 UNL1111111111 0.1486 59 H 4.3860 -1.8568 -1.9983 H 1 UNL1111111111 0.1423 60 H -1.5245 -1.9632 0.8393 H 1 UNL1111111111 0.1359 61 H -1.9668 -1.5566 2.5008 H 1 UNL1111111111 0.1410 62 H 0.7678 -1.1230 -2.0204 H 1 UNL1111111111 0.1424 63 H 0.8271 0.1024 -3.2920 H 1 UNL1111111111 0.1407 64 H -0.1717 0.3601 -1.8595 H 1 UNL1111111111 0.1544 65 H -5.0889 -2.9399 -0.1640 H 1 UNL1111111111 0.1345 66 H -3.4018 -3.3853 1.6452 H 1 UNL1111111111 0.1508 67 H -4.3755 -1.9640 2.0352 H 1 UNL1111111111 0.1450 68 H -4.4281 0.2453 2.1126 H 1 UNL1111111111 0.1452 69 H -3.5226 1.7401 1.8368 H 1 UNL1111111111 0.1498 70 H -2.9895 0.5992 3.0689 H 1 UNL1111111111 0.1422 71 H 2.6529 -3.6168 -0.0152 H 1 UNL1111111111 0.1567 72 H 2.4015 -2.7421 1.4914 H 1 UNL1111111111 0.1581 73 H 1.3931 -2.3718 0.0820 H 1 UNL1111111111 0.1552 74 H -4.8640 -0.1071 -2.6474 H 1 UNL1111111111 0.1399 75 H -5.6327 -0.3087 1.0325 H 1 UNL1111111111 0.1468 76 H -3.6905 -1.4334 -2.6839 H 1 UNL1111111111 0.1530 77 H -6.5354 -0.9351 -0.3488 H 1 UNL1111111111 0.1444 78 H -5.3890 -1.7761 -2.3993 H 1 UNL1111111111 0.1480 79 H -5.8430 0.6850 -0.4108 H 1 UNL1111111111 0.1493 80 H -2.3969 -2.6664 -0.9590 H 1 UNL1111111111 0.3127 81 H 6.6613 -1.3974 0.3478 H 1 UNL1111111111 0.3497 @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 76 1 82 31 78 1 83 32 75 1 84 32 77 1 85 32 79 1