@MOLECULE 3-[4-hydroxy-8,8-dimethyl-3-(3-methylbutanoyl)-5,7-bis(3-methyl-2-buten-1-yl)-2,9-dioxobicyclo[3.3.1]non-3-en-1-yl]-3-phenylpropanoic acid 64 66 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.8054 -1.0840 2.2531 O.2 1 UNL111111 -0.4141 2 O 2.0203 2.3726 1.1454 O.2 1 UNL111111 -0.4264 3 O -0.1446 -0.0214 -2.1551 O.2 1 UNL111111 -0.4587 4 O 2.0105 2.4455 -2.1253 O.2 1 UNL111111 -0.4227 5 O -3.6559 -2.6347 -2.9148 O.co2 1 UNL111111 -0.1267 6 O -3.7530 -3.4705 -0.8347 O.co2 1 UNL111111 -0.4545 7 C -0.0944 -1.1359 -0.0459 C.3 1 UNL111111 -0.1859 8 C 1.1058 -2.1665 -0.1763 C.3 1 UNL111111 0.1209 9 C 2.4257 -1.4479 0.2760 C.3 1 UNL111111 -0.1356 10 C 1.1679 0.1590 1.7940 C.3 1 UNL111111 -0.1425 11 C 2.3401 -0.8315 1.6884 C.3 1 UNL111111 -0.2875 12 C -0.0423 -0.6972 1.4132 C.2 1 UNL111111 0.4667 13 C -1.5367 -1.6832 -0.2796 C.3 1 UNL111111 -0.0665 14 C 0.1856 0.0329 -0.9937 C.2 1 UNL111111 0.5245 15 C 0.8159 -3.3922 0.6932 C.3 1 UNL111111 -0.4703 16 C 1.3054 -2.6184 -1.6285 C.3 1 UNL111111 -0.4764 17 C 1.3541 1.2619 0.7968 C.2 1 UNL111111 0.3790 18 C 3.6623 -2.3746 0.2608 C.3 1 UNL111111 -0.2961 19 C 0.9851 0.7025 3.2208 C.3 1 UNL111111 -0.2776 20 C 0.8800 1.2017 -0.4644 C.2 1 UNL111111 -0.4730 21 C -1.7638 -2.3248 -1.6528 C.3 1 UNL111111 -0.3448 22 C -2.5522 -0.5848 -0.0404 C.ar 1 UNL111111 -0.0230 23 C 4.9094 -1.5860 0.3977 C.2 1 UNL111111 -0.1238 24 C -0.1077 1.7075 3.2598 C.2 1 UNL111111 -0.1316 25 C 1.0469 2.3298 -1.4192 C.2 1 UNL111111 0.5457 26 C -3.1856 -2.8789 -1.7208 C.2 1 UNL111111 0.4924 27 C -2.8041 0.3961 -1.0321 C.ar 1 UNL111111 -0.1856 28 C -3.2485 -0.5951 1.1980 C.ar 1 UNL111111 -0.1513 29 C -0.1038 3.3184 -1.3771 C.3 1 UNL111111 -0.2882 30 C 5.3224 -0.6762 -0.6069 C.2 1 UNL111111 -0.6697 31 C -1.2039 1.6177 4.1541 C.2 1 UNL111111 -0.6322 32 C -3.7321 1.3489 -0.6956 C.ar 1 UNL111111 -0.0084 33 C -4.1474 0.4268 1.3727 C.ar 1 UNL111111 0.0004 34 C -0.5999 3.6416 -2.7211 C.3 1 UNL111111 -0.6405 35 C -4.3639 1.3497 0.4586 C.ar 1 UNL111111 -0.0498 36 C 4.8895 -0.3762 -1.8827 C.3 1 UNL111111 0.3378 37 C 6.3224 0.2549 -0.7410 C.3 1 UNL111111 0.2937 38 C -1.2917 0.5366 5.0034 C.3 1 UNL111111 0.3053 39 C -2.1417 2.6327 4.0869 C.3 1 UNL111111 0.2932 40 C -0.8403 2.9405 -3.8682 C.3 1 UNL111111 0.3331 41 C -1.0315 4.8008 -3.3097 C.3 1 UNL111111 0.2485 42 H 2.6212 -0.6300 -0.4611 H 1 UNL111111 0.1621 43 H 3.2960 -0.3245 1.9277 H 1 UNL111111 0.1609 44 H 2.2309 -1.6318 2.4484 H 1 UNL111111 0.1660 45 H -1.7038 -2.4931 0.4920 H 1 UNL111111 0.1859 46 H 0.6818 -3.1376 1.7514 H 1 UNL111111 0.1579 47 H -0.0939 -3.9157 0.3730 H 1 UNL111111 0.1595 48 H 1.6315 -4.1222 0.6380 H 1 UNL111111 0.1523 49 H 1.2725 -1.7847 -2.3454 H 1 UNL111111 0.1794 50 H 2.2764 -3.1079 -1.7744 H 1 UNL111111 0.1491 51 H 0.5578 -3.3525 -1.9439 H 1 UNL111111 0.1520 52 H 3.5796 -3.1357 1.0623 H 1 UNL111111 0.1503 53 H 3.6953 -2.9547 -0.6890 H 1 UNL111111 0.1593 54 H 0.7890 -0.1551 3.9066 H 1 UNL111111 0.1769 55 H 1.9302 1.1447 3.6059 H 1 UNL111111 0.1527 56 H -1.0793 -3.1877 -1.8114 H 1 UNL111111 0.1809 57 H -1.5471 -1.6122 -2.4805 H 1 UNL111111 0.2087 58 H 5.5213 -1.7278 1.2714 H 1 UNL111111 0.1396 59 H -0.0623 2.5317 2.5589 H 1 UNL111111 0.1564 60 H 2.3828 2.3469 2.0721 H 1 UNL111111 0.3424 61 H -2.3115 0.3881 -1.9992 H 1 UNL111111 0.1943 62 H -3.0775 -1.3655 1.9492 H 1 UNL111111 0.1938 63 H -0.9387 2.9212 -0.7538 H 1 UNL111111 0.1690 64 H 0.2563 4.2343 -0.8506 H 1 UNL111111 0.1729 @BOND 1 5 26 ar 2 40 34 1 3 57 21 1 4 26 21 1 5 26 6 ar 6 56 21 1 7 34 41 1 8 34 29 1 9 49 16 1 10 61 27 1 11 51 16 1 12 21 13 1 13 3 14 2 14 50 16 1 15 16 8 1 16 27 32 ar 17 27 22 ar 18 4 25 2 19 32 35 ar 20 36 30 1 21 29 25 1 22 29 63 1 23 29 64 1 24 14 7 1 25 14 20 1 26 25 20 1 27 13 22 1 28 13 7 1 29 13 45 1 30 22 28 ar 31 53 18 1 32 8 7 1 33 8 15 1 34 8 9 1 35 7 12 1 36 47 15 1 37 20 17 2 38 35 33 ar 39 42 9 1 40 30 37 1 41 30 23 2 42 15 48 1 43 15 46 1 44 28 33 ar 45 28 62 1 46 9 18 1 47 9 11 1 48 18 23 1 49 18 52 1 50 23 58 1 51 17 2 1 52 17 10 1 53 12 1 2 54 12 10 1 55 2 60 1 56 11 10 1 57 11 43 1 58 11 44 1 59 10 19 1 60 59 24 1 61 24 19 1 62 24 31 2 63 19 54 1 64 19 55 1 65 39 31 1 66 31 38 1