@MOLECULE (2r,4as,6as,12br,14as,14br)-9-formyl-10,11-dihydroxy-2,4a,6a,12b,14a-pentamethyl-8-oxo-1,2,3,4,4a,5,6,6a,8,12b,13,14,14a,14b-tetradecahydro-2-picenecarboxylic acid 71 75 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.3067 -3.2550 -0.4067 O.3 1 UNL1111111111 -0.5829 2 O -3.4616 -2.1724 -2.3383 O.2 1 UNL1111111111 -0.5142 3 O 3.5806 2.6608 -1.0080 O.2 1 UNL1111111111 -0.4565 4 O 4.9844 -3.0798 1.1035 O.3 1 UNL1111111111 -0.4836 5 O 6.3128 -1.5273 -0.7067 O.3 1 UNL1111111111 -0.4345 6 O 5.1788 0.6651 -2.8360 O.2 1 UNL1111111111 -0.4037 7 C -1.6038 0.2018 0.6243 C.3 1 UNL1111111111 0.0725 8 C -3.1241 0.4696 0.8296 C.3 1 UNL1111111111 -0.1495 9 C -0.8318 1.5603 0.6082 C.3 1 UNL1111111111 0.0407 10 C -3.7696 1.5184 -0.1129 C.3 1 UNL1111111111 0.0926 11 C -1.3813 2.3835 -0.5801 C.3 1 UNL1111111111 -0.2816 12 C -2.8550 2.7325 -0.3894 C.3 1 UNL1111111111 -0.2992 13 C -1.0699 -0.6136 1.8281 C.3 1 UNL1111111111 -0.3030 14 C -3.9875 -0.8125 0.9011 C.3 1 UNL1111111111 -0.2898 15 C 0.6603 1.2952 0.4802 C.2 1 UNL1111111111 0.1013 16 C -4.1839 0.9042 -1.4609 C.3 1 UNL1111111111 -0.2907 17 C 1.3228 0.2565 1.3741 C.3 1 UNL1111111111 0.0444 18 C -4.6874 -1.3285 -0.3721 C.3 1 UNL1111111111 0.0258 19 C 0.4082 -0.9570 1.6519 C.3 1 UNL1111111111 -0.2718 20 C -1.3043 -0.5829 -0.6594 C.3 1 UNL1111111111 -0.4723 21 C -5.2070 -0.2140 -1.2886 C.3 1 UNL1111111111 -0.2811 22 C -1.0157 2.3945 1.8921 C.3 1 UNL1111111111 -0.4618 23 C -5.0276 2.0824 0.5951 C.3 1 UNL1111111111 -0.4727 24 C 2.6352 -0.2605 0.7950 C.ar 1 UNL1111111111 0.0398 25 C 1.4064 2.0269 -0.3634 C.2 1 UNL1111111111 -0.3696 26 C 1.7178 0.9443 2.7007 C.3 1 UNL1111111111 -0.4495 27 C -5.8723 -2.2252 0.0434 C.3 1 UNL1111111111 -0.4608 28 C -3.7657 -2.2232 -1.1761 C.2 1 UNL1111111111 0.6328 29 C 3.3626 0.4996 -0.1196 C.ar 1 UNL1111111111 -0.1633 30 C 2.8432 1.8219 -0.5389 C.2 1 UNL1111111111 0.4928 31 C 3.1694 -1.4815 1.2325 C.ar 1 UNL1111111111 -0.2844 32 C 4.5828 0.0578 -0.6407 C.ar 1 UNL1111111111 -0.1237 33 C 4.3876 -1.9153 0.7312 C.ar 1 UNL1111111111 0.1846 34 C 5.1087 -1.1529 -0.2113 C.ar 1 UNL1111111111 0.1833 35 C 5.3172 0.8729 -1.6598 C.2 1 UNL1111111111 0.3905 36 H -3.1830 0.9164 1.8626 H 1 UNL1111111111 0.1361 37 H -1.2359 1.8287 -1.5268 H 1 UNL1111111111 0.1549 38 H -0.8109 3.3282 -0.6892 H 1 UNL1111111111 0.1425 39 H -2.9510 3.4685 0.4335 H 1 UNL1111111111 0.1384 40 H -3.2216 3.2713 -1.2859 H 1 UNL1111111111 0.1406 41 H -1.6448 -1.5552 1.9363 H 1 UNL1111111111 0.1433 42 H -1.2326 -0.0653 2.7724 H 1 UNL1111111111 0.1367 43 H -3.3831 -1.6401 1.3287 H 1 UNL1111111111 0.1595 44 H -4.7790 -0.6208 1.6581 H 1 UNL1111111111 0.1431 45 H -3.2883 0.5184 -1.9940 H 1 UNL1111111111 0.1593 46 H -4.6023 1.6870 -2.1222 H 1 UNL1111111111 0.1396 47 H 0.7604 -1.4842 2.5607 H 1 UNL1111111111 0.1348 48 H 0.5104 -1.6852 0.8188 H 1 UNL1111111111 0.1563 49 H -1.4660 -1.6573 -0.5217 H 1 UNL1111111111 0.1487 50 H -1.9435 -0.2652 -1.4973 H 1 UNL1111111111 0.1641 51 H -0.2654 -0.4619 -0.9936 H 1 UNL1111111111 0.1603 52 H -6.1526 0.1954 -0.8832 H 1 UNL1111111111 0.1460 53 H -5.4709 -0.6321 -2.2831 H 1 UNL1111111111 0.1558 54 H -0.7148 1.8488 2.7913 H 1 UNL1111111111 0.1464 55 H -0.4175 3.3123 1.8433 H 1 UNL1111111111 0.1534 56 H -2.0587 2.6935 2.0420 H 1 UNL1111111111 0.1515 57 H -5.7294 1.2887 0.8673 H 1 UNL1111111111 0.1467 58 H -4.7675 2.6133 1.5152 H 1 UNL1111111111 0.1379 59 H -5.5603 2.7838 -0.0543 H 1 UNL1111111111 0.1451 60 H 1.0051 2.8276 -0.9860 H 1 UNL1111111111 0.1878 61 H 2.4095 0.3230 3.2815 H 1 UNL1111111111 0.1530 62 H 2.2159 1.9047 2.5192 H 1 UNL1111111111 0.1595 63 H 0.8452 1.1326 3.3345 H 1 UNL1111111111 0.1518 64 H -6.3742 -2.6616 -0.8281 H 1 UNL1111111111 0.1545 65 H -5.5413 -3.0551 0.6819 H 1 UNL1111111111 0.1648 66 H -6.6238 -1.6574 0.6025 H 1 UNL1111111111 0.1519 67 H 2.6481 -2.0877 1.9678 H 1 UNL1111111111 0.1661 68 H -2.7367 -3.8908 -0.8995 H 1 UNL1111111111 0.3520 69 H 5.9792 1.6553 -1.2694 H 1 UNL1111111111 0.1345 70 H 4.4023 -3.6225 1.6880 H 1 UNL1111111111 0.3400 71 H 6.5605 -2.4365 -0.3876 H 1 UNL1111111111 0.3424 @BOND 1 1 28 1 2 1 68 1 3 2 28 2 4 3 30 2 5 4 33 1 6 4 70 1 7 5 34 1 8 5 71 1 9 6 35 2 10 7 8 1 11 7 9 1 12 7 13 1 13 7 20 1 14 8 10 1 15 8 14 1 16 8 36 1 17 9 11 1 18 9 15 1 19 9 22 1 20 10 12 1 21 10 16 1 22 10 23 1 23 11 12 1 24 11 37 1 25 11 38 1 26 12 39 1 27 12 40 1 28 13 19 1 29 13 41 1 30 13 42 1 31 14 18 1 32 14 43 1 33 14 44 1 34 15 17 1 35 15 25 2 36 16 21 1 37 16 45 1 38 16 46 1 39 17 19 1 40 17 24 1 41 17 26 1 42 18 21 1 43 18 27 1 44 18 28 1 45 19 47 1 46 19 48 1 47 20 49 1 48 20 50 1 49 20 51 1 50 21 52 1 51 21 53 1 52 22 54 1 53 22 55 1 54 22 56 1 55 23 57 1 56 23 58 1 57 23 59 1 58 24 29 ar 59 24 31 ar 60 25 30 1 61 25 60 1 62 26 61 1 63 26 62 1 64 26 63 1 65 27 64 1 66 27 65 1 67 27 66 1 68 29 30 1 69 29 32 ar 70 31 33 ar 71 31 67 1 72 32 34 ar 73 32 35 1 74 33 34 ar 75 35 69 1