@MOLECULE (1r,5r,7r,8r)-4-hydroxy-1-isobutyryl-8-methyl-3,5,7-tris(3-methyl-2-buten-1-yl)-8-(4-methyl-3-penten-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione 91 92 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.4355 1.1248 2.1226 O.2 1 UNL1111111111 -0.4212 2 O -2.3721 -2.4152 -0.3907 O.2 1 UNL1111111111 -0.4414 3 O 0.8055 0.7507 -1.8018 O.2 1 UNL1111111111 -0.4687 4 O 1.2463 2.8847 1.0229 O.2 1 UNL1111111111 -0.4447 5 C 1.5165 0.0193 1.1733 C.3 1 UNL1111111111 0.1259 6 C 0.2866 0.7368 0.5120 C.3 1 UNL1111111111 -0.3396 7 C 1.2989 -1.5295 1.2583 C.3 1 UNL1111111111 -0.1267 8 C -1.2882 -1.1115 1.2455 C.3 1 UNL1111111111 -0.0822 9 C -0.0973 -1.9182 1.7956 C.3 1 UNL1111111111 -0.2886 10 C -0.9030 0.3593 1.3702 C.2 1 UNL1111111111 0.4809 11 C 2.7854 0.3749 0.3761 C.3 1 UNL1111111111 -0.2985 12 C 1.6661 0.5302 2.6202 C.3 1 UNL1111111111 -0.4806 13 C 0.0997 0.2841 -0.9385 C.2 1 UNL1111111111 0.5197 14 C 1.6447 -2.2960 -0.0331 C.3 1 UNL1111111111 -0.2925 15 C -1.5146 -1.3962 -0.2114 C.2 1 UNL1111111111 0.3556 16 C 0.3738 2.2721 0.4722 C.2 1 UNL1111111111 0.5104 17 C -2.5636 -1.4080 2.0622 C.3 1 UNL1111111111 -0.2437 18 C -0.9462 -0.6975 -1.2204 C.2 1 UNL1111111111 -0.3723 19 C 4.0878 -0.1511 1.0020 C.3 1 UNL1111111111 -0.2579 20 C -0.7216 2.9806 -0.3139 C.3 1 UNL1111111111 -0.1640 21 C -1.3585 -0.8534 -2.6478 C.3 1 UNL1111111111 -0.2199 22 C 1.5354 -3.7733 0.1574 C.2 1 UNL1111111111 -0.2304 23 C -3.7395 -0.6572 1.5264 C.2 1 UNL1111111111 -0.2560 24 C 5.2254 0.1303 0.0738 C.2 1 UNL1111111111 -0.2418 25 C -0.0447 3.8004 -1.4141 C.3 1 UNL1111111111 -0.4389 26 C -1.5061 3.8733 0.6468 C.3 1 UNL1111111111 -0.4406 27 C 1.0699 -4.6224 -0.7687 C.2 1 UNL1111111111 0.0458 28 C -4.4391 0.2624 2.2046 C.2 1 UNL1111111111 0.0921 29 C -2.6120 -0.0597 -2.8611 C.2 1 UNL1111111111 -0.2543 30 C 5.8574 1.3093 -0.0042 C.2 1 UNL1111111111 0.0623 31 C 0.5930 -4.1913 -2.1163 C.3 1 UNL1111111111 -0.4554 32 C 1.0069 -6.0929 -0.5112 C.3 1 UNL1111111111 -0.4599 33 C -2.6638 1.1243 -3.4858 C.2 1 UNL1111111111 0.0870 34 C -4.1477 0.6626 3.6118 C.3 1 UNL1111111111 -0.4654 35 C -5.5866 0.9758 1.5635 C.3 1 UNL1111111111 -0.4619 36 C 6.9717 1.5279 -0.9763 C.3 1 UNL1111111111 -0.4593 37 C 5.5061 2.4888 0.8396 C.3 1 UNL1111111111 -0.4577 38 C -3.9501 1.8772 -3.6012 C.3 1 UNL1111111111 -0.4650 39 C -1.4843 1.7882 -4.1104 C.3 1 UNL1111111111 -0.4707 40 H 2.0360 -1.8929 2.0276 H 1 UNL1111111111 0.1460 41 H -0.2792 -2.9962 1.5995 H 1 UNL1111111111 0.1672 42 H -0.0882 -1.8201 2.9008 H 1 UNL1111111111 0.1509 43 H 2.7068 0.0183 -0.6699 H 1 UNL1111111111 0.1611 44 H 2.8639 1.4794 0.2812 H 1 UNL1111111111 0.1708 45 H 1.9367 1.5965 2.6401 H 1 UNL1111111111 0.1811 46 H 0.7495 0.4254 3.2071 H 1 UNL1111111111 0.1489 47 H 2.4576 -0.0028 3.1558 H 1 UNL1111111111 0.1455 48 H 1.0268 -1.9531 -0.8817 H 1 UNL1111111111 0.1589 49 H 2.6902 -2.0645 -0.3427 H 1 UNL1111111111 0.1642 50 H -2.3771 -1.1614 3.1274 H 1 UNL1111111111 0.1536 51 H -2.7774 -2.4986 2.0346 H 1 UNL1111111111 0.1561 52 H 4.2589 0.3278 1.9872 H 1 UNL1111111111 0.1421 53 H 4.0161 -1.2358 1.2090 H 1 UNL1111111111 0.1345 54 H -1.4236 2.2474 -0.7815 H 1 UNL1111111111 0.1528 55 H -1.5163 -1.9159 -2.9265 H 1 UNL1111111111 0.1251 56 H -0.5392 -0.5164 -3.3267 H 1 UNL1111111111 0.1776 57 H 1.8906 -4.1355 1.1199 H 1 UNL1111111111 0.1439 58 H -4.0112 -0.9195 0.5052 H 1 UNL1111111111 0.1517 59 H -2.5428 -2.6059 -1.3541 H 1 UNL1111111111 0.3354 60 H 5.5032 -0.7018 -0.5672 H 1 UNL1111111111 0.1429 61 H -0.7821 4.3248 -2.0289 H 1 UNL1111111111 0.1408 62 H 0.5516 3.1594 -2.0794 H 1 UNL1111111111 0.1617 63 H 0.6350 4.5516 -0.9906 H 1 UNL1111111111 0.1587 64 H -0.8485 4.5946 1.1497 H 1 UNL1111111111 0.1585 65 H -2.2813 4.4378 0.1196 H 1 UNL1111111111 0.1428 66 H -1.9999 3.2828 1.4313 H 1 UNL1111111111 0.1630 67 H -3.5033 -0.5027 -2.4256 H 1 UNL1111111111 0.1400 68 H 0.0719 -4.9896 -2.6575 H 1 UNL1111111111 0.1464 69 H -0.0976 -3.3379 -2.0463 H 1 UNL1111111111 0.1554 70 H 1.4377 -3.8707 -2.7453 H 1 UNL1111111111 0.1615 71 H 1.4244 -6.3739 0.4639 H 1 UNL1111111111 0.1495 72 H 1.5648 -6.6544 -1.2737 H 1 UNL1111111111 0.1549 73 H -0.0312 -6.4539 -0.5338 H 1 UNL1111111111 0.1543 74 H -4.1657 -0.1989 4.2918 H 1 UNL1111111111 0.1497 75 H -4.8588 1.3990 4.0038 H 1 UNL1111111111 0.1461 76 H -3.1431 1.1171 3.6843 H 1 UNL1111111111 0.1833 77 H -6.5184 0.8118 2.1209 H 1 UNL1111111111 0.1516 78 H -5.4038 2.0603 1.5376 H 1 UNL1111111111 0.1598 79 H -5.7652 0.6542 0.5298 H 1 UNL1111111111 0.1499 80 H 6.7467 2.3660 -1.6513 H 1 UNL1111111111 0.1562 81 H 7.1649 0.6502 -1.6060 H 1 UNL1111111111 0.1487 82 H 7.9094 1.7670 -0.4562 H 1 UNL1111111111 0.1521 83 H 4.5218 2.8965 0.5544 H 1 UNL1111111111 0.1699 84 H 6.2306 3.3069 0.7548 H 1 UNL1111111111 0.1467 85 H 5.4389 2.2234 1.9042 H 1 UNL1111111111 0.1549 86 H -4.1527 2.1685 -4.6407 H 1 UNL1111111111 0.1532 87 H -4.8163 1.3016 -3.2519 H 1 UNL1111111111 0.1504 88 H -3.9139 2.8007 -3.0039 H 1 UNL1111111111 0.1607 89 H -1.6271 2.8667 -4.2468 H 1 UNL1111111111 0.1491 90 H -1.2707 1.3600 -5.0998 H 1 UNL1111111111 0.1548 91 H -0.5693 1.6641 -3.5035 H 1 UNL1111111111 0.1855 @BOND 1 1 10 2 2 2 15 1 3 2 59 1 4 3 13 2 5 4 16 2 6 5 6 1 7 5 7 1 8 5 11 1 9 5 12 1 10 6 10 1 11 6 13 1 12 6 16 1 13 7 9 1 14 7 14 1 15 7 40 1 16 8 9 1 17 8 10 1 18 8 15 1 19 8 17 1 20 9 41 1 21 9 42 1 22 11 19 1 23 11 43 1 24 11 44 1 25 12 45 1 26 12 46 1 27 12 47 1 28 13 18 1 29 14 22 1 30 14 48 1 31 14 49 1 32 15 18 2 33 16 20 1 34 17 23 1 35 17 50 1 36 17 51 1 37 18 21 1 38 19 24 1 39 19 52 1 40 19 53 1 41 20 25 1 42 20 26 1 43 20 54 1 44 21 29 1 45 21 55 1 46 21 56 1 47 22 27 2 48 22 57 1 49 23 28 2 50 23 58 1 51 24 30 2 52 24 60 1 53 25 61 1 54 25 62 1 55 25 63 1 56 26 64 1 57 26 65 1 58 26 66 1 59 27 31 1 60 27 32 1 61 28 34 1 62 28 35 1 63 29 33 2 64 29 67 1 65 30 36 1 66 30 37 1 67 31 68 1 68 31 69 1 69 31 70 1 70 32 71 1 71 32 72 1 72 32 73 1 73 33 38 1 74 33 39 1 75 34 74 1 76 34 75 1 77 34 76 1 78 35 77 1 79 35 78 1 80 35 79 1 81 36 80 1 82 36 81 1 83 36 82 1 84 37 83 1 85 37 84 1 86 37 85 1 87 38 86 1 88 38 87 1 89 38 88 1 90 39 89 1 91 39 90 1 92 39 91 1