@MOLECULE (1r,2r,5s,7r,10r,11r,14s,16s)-2,5,7,10,15,15-hexamethyl-7-(4-methyl-3-penten-1-yl)-19-oxapentacyclo[14.2.1.0~1,14~.0~2,11~.0~5,10~]nonadecane 81 85 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.3134 0.2671 1.2234 O.3 1 UNL1111111111 -0.4059 2 C -2.0177 -0.4820 0.8330 C.3 1 UNL1111111111 0.0575 3 C -3.1273 0.5220 0.4450 C.3 1 UNL1111111111 0.2158 4 C -1.1409 -0.6275 -0.4485 C.3 1 UNL1111111111 -0.1426 5 C -3.6606 0.4126 -1.0327 C.3 1 UNL1111111111 -0.1717 6 C 0.2561 -1.2818 -0.2254 C.3 1 UNL1111111111 0.0719 7 C 1.0020 -0.4983 0.8945 C.3 1 UNL1111111111 0.0788 8 C -5.1722 0.8036 -0.8665 C.3 1 UNL1111111111 0.0487 9 C -5.1838 1.2491 0.6364 C.3 1 UNL1111111111 0.0806 10 C -1.1959 0.0474 2.0335 C.3 1 UNL1111111111 -0.2909 11 C -2.9198 2.0526 0.7059 C.3 1 UNL1111111111 -0.3228 12 C -1.9114 -1.3212 -1.5908 C.3 1 UNL1111111111 -0.2812 13 C -3.4043 -0.9587 -1.6367 C.3 1 UNL1111111111 -0.2787 14 C 0.1744 -0.6178 2.1949 C.3 1 UNL1111111111 -0.2908 15 C -4.3782 2.5552 0.8450 C.3 1 UNL1111111111 -0.3108 16 C 1.1068 -1.1710 -1.5152 C.3 1 UNL1111111111 -0.2919 17 C 2.4008 -1.1145 1.1276 C.3 1 UNL1111111111 -0.3188 18 C -2.6874 -1.7851 1.3011 C.3 1 UNL1111111111 -0.4486 19 C 3.2902 -1.2719 -0.1256 C.3 1 UNL1111111111 0.1014 20 C 0.1229 -2.7775 0.1140 C.3 1 UNL1111111111 -0.4647 21 C 2.4899 -1.8088 -1.3372 C.3 1 UNL1111111111 -0.2944 22 C 1.1676 1.0003 0.5756 C.3 1 UNL1111111111 -0.4637 23 C -6.1440 -0.3685 -1.0121 C.3 1 UNL1111111111 -0.4615 24 C -5.5761 1.9065 -1.8408 C.3 1 UNL1111111111 -0.4652 25 C 3.9998 0.0316 -0.5606 C.3 1 UNL1111111111 -0.2897 26 C 4.3812 -2.3173 0.2111 C.3 1 UNL1111111111 -0.4740 27 C 4.7280 0.7728 0.5720 C.3 1 UNL1111111111 -0.2647 28 C 5.5663 1.8665 -0.0073 C.2 1 UNL1111111111 -0.2318 29 C 6.8530 1.7267 -0.3529 C.2 1 UNL1111111111 0.0501 30 C 7.6317 2.8633 -0.9324 C.3 1 UNL1111111111 -0.4576 31 C 7.6141 0.4524 -0.1858 C.3 1 UNL1111111111 -0.4555 32 H -0.9342 0.4210 -0.7941 H 1 UNL1111111111 0.1365 33 H -3.1523 1.1694 -1.6678 H 1 UNL1111111111 0.1398 34 H -6.1470 1.1903 1.1448 H 1 UNL1111111111 0.1355 35 H -1.7890 -0.0859 2.9596 H 1 UNL1111111111 0.1437 36 H -1.0397 1.1403 1.9508 H 1 UNL1111111111 0.1397 37 H -2.3741 2.5421 -0.1074 H 1 UNL1111111111 0.1379 38 H -2.3593 2.2406 1.6335 H 1 UNL1111111111 0.1477 39 H -1.8152 -2.4197 -1.5048 H 1 UNL1111111111 0.1423 40 H -1.4394 -1.0492 -2.5540 H 1 UNL1111111111 0.1320 41 H -3.7676 -0.9879 -2.6806 H 1 UNL1111111111 0.1324 42 H -3.9882 -1.7304 -1.0959 H 1 UNL1111111111 0.1480 43 H 0.7177 -0.1427 3.0324 H 1 UNL1111111111 0.1326 44 H 0.0577 -1.6773 2.4824 H 1 UNL1111111111 0.1382 45 H -4.5652 2.9688 1.8469 H 1 UNL1111111111 0.1426 46 H -4.6303 3.3393 0.1233 H 1 UNL1111111111 0.1408 47 H 1.2078 -0.1135 -1.8155 H 1 UNL1111111111 0.1374 48 H 0.5898 -1.6716 -2.3542 H 1 UNL1111111111 0.1324 49 H 2.9375 -0.5163 1.8861 H 1 UNL1111111111 0.1387 50 H 2.2698 -2.1110 1.5944 H 1 UNL1111111111 0.1387 51 H -1.9564 -2.4846 1.7214 H 1 UNL1111111111 0.1435 52 H -3.4291 -1.5841 2.0869 H 1 UNL1111111111 0.1591 53 H -3.2161 -2.2991 0.4947 H 1 UNL1111111111 0.1487 54 H -0.5476 -2.9490 0.9621 H 1 UNL1111111111 0.1525 55 H -0.2733 -3.3426 -0.7357 H 1 UNL1111111111 0.1404 56 H 1.0871 -3.2245 0.3754 H 1 UNL1111111111 0.1444 57 H 2.3715 -2.9055 -1.2411 H 1 UNL1111111111 0.1391 58 H 3.0801 -1.6653 -2.2621 H 1 UNL1111111111 0.1313 59 H 1.6669 1.5177 1.4013 H 1 UNL1111111111 0.1419 60 H 1.7702 1.1622 -0.3243 H 1 UNL1111111111 0.1502 61 H 0.2090 1.5004 0.4079 H 1 UNL1111111111 0.1445 62 H -7.1784 -0.0485 -0.8453 H 1 UNL1111111111 0.1424 63 H -5.9236 -1.1553 -0.2773 H 1 UNL1111111111 0.1600 64 H -6.0971 -0.8152 -2.0100 H 1 UNL1111111111 0.1443 65 H -4.8683 2.7425 -1.8416 H 1 UNL1111111111 0.1456 66 H -6.5651 2.3099 -1.5977 H 1 UNL1111111111 0.1457 67 H -5.6202 1.5231 -2.8673 H 1 UNL1111111111 0.1481 68 H 4.7275 -0.2073 -1.3611 H 1 UNL1111111111 0.1383 69 H 3.2688 0.7166 -1.0327 H 1 UNL1111111111 0.1425 70 H 5.0631 -2.4636 -0.6317 H 1 UNL1111111111 0.1414 71 H 4.9806 -2.0021 1.0705 H 1 UNL1111111111 0.1437 72 H 3.9440 -3.2901 0.4548 H 1 UNL1111111111 0.1416 73 H 5.3420 0.0666 1.1639 H 1 UNL1111111111 0.1416 74 H 3.9917 1.1936 1.2865 H 1 UNL1111111111 0.1418 75 H 5.0431 2.8088 -0.1482 H 1 UNL1111111111 0.1438 76 H 7.9741 2.6296 -1.9503 H 1 UNL1111111111 0.1541 77 H 7.0483 3.7909 -0.9936 H 1 UNL1111111111 0.1499 78 H 8.5233 3.0815 -0.3279 H 1 UNL1111111111 0.1538 79 H 7.8646 0.2823 0.8715 H 1 UNL1111111111 0.1555 80 H 7.0295 -0.4158 -0.5246 H 1 UNL1111111111 0.1586 81 H 8.5558 0.4453 -0.7477 H 1 UNL1111111111 0.1479 @BOND 1 1 3 1 2 1 9 1 3 2 3 1 4 2 4 1 5 2 10 1 6 2 18 1 7 3 5 1 8 3 11 1 9 4 6 1 10 4 12 1 11 4 32 1 12 5 8 1 13 5 13 1 14 5 33 1 15 6 7 1 16 6 16 1 17 6 20 1 18 7 14 1 19 7 17 1 20 7 22 1 21 8 9 1 22 8 23 1 23 8 24 1 24 9 15 1 25 9 34 1 26 10 14 1 27 10 35 1 28 10 36 1 29 11 15 1 30 11 37 1 31 11 38 1 32 12 13 1 33 12 39 1 34 12 40 1 35 13 41 1 36 13 42 1 37 14 43 1 38 14 44 1 39 15 45 1 40 15 46 1 41 16 21 1 42 16 47 1 43 16 48 1 44 17 19 1 45 17 49 1 46 17 50 1 47 18 51 1 48 18 52 1 49 18 53 1 50 19 21 1 51 19 25 1 52 19 26 1 53 20 54 1 54 20 55 1 55 20 56 1 56 21 57 1 57 21 58 1 58 22 59 1 59 22 60 1 60 22 61 1 61 23 62 1 62 23 63 1 63 23 64 1 64 24 65 1 65 24 66 1 66 24 67 1 67 25 27 1 68 25 68 1 69 25 69 1 70 26 70 1 71 26 71 1 72 26 72 1 73 27 28 1 74 27 73 1 75 27 74 1 76 28 29 2 77 28 75 1 78 29 30 1 79 29 31 1 80 30 76 1 81 30 77 1 82 30 78 1 83 31 79 1 84 31 80 1 85 31 81 1