@MOLECULE 2-hydroxy-2-methyl-3-[(2e,7r,11r)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]-2,3-dihydro-1,4-naphthalenedione 79 80 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.8242 2.7770 2.0469 O.3 1 UNL111111 -0.5426 2 O 1.8255 1.3620 -2.2732 O.2 1 UNL111111 -0.4015 3 O -1.7651 2.5774 1.4283 O.2 1 UNL111111 -0.4000 4 C -1.3741 -1.6533 0.5552 C.3 1 UNL111111 -0.0791 5 C 3.4694 -2.5473 -0.6756 C.3 1 UNL111111 -0.0813 6 C -0.3470 -2.6696 0.0293 C.3 1 UNL111111 -0.2877 7 C 2.0184 -3.0648 -0.7517 C.3 1 UNL111111 -0.2902 8 C 1.0096 -2.0167 -0.2657 C.3 1 UNL111111 -0.2688 9 C -2.7714 -2.3039 0.5469 C.3 1 UNL111111 -0.2923 10 C 3.9082 -2.4473 0.7973 C.3 1 UNL111111 -0.2824 11 C 1.4322 1.7317 0.0523 C.3 1 UNL111111 -0.2297 12 C 0.4861 2.7745 0.6806 C.3 1 UNL111111 0.2351 13 C -3.8758 -1.2863 0.8557 C.3 1 UNL111111 -0.2727 14 C 5.3424 -1.9421 0.9950 C.3 1 UNL111111 -0.2561 15 C 2.8944 2.2028 0.1510 C.3 1 UNL111111 -0.2376 16 C -1.0028 -1.1800 1.9643 C.3 1 UNL111111 -0.4510 17 C -5.2601 -1.9015 0.6188 C.3 1 UNL111111 -0.2886 18 C 4.3822 -3.4912 -1.4671 C.3 1 UNL111111 -0.4545 19 C 5.6043 -0.5707 0.3540 C.3 1 UNL111111 -0.2943 20 C 1.0292 1.4353 -1.3734 C.2 1 UNL111111 0.4452 21 C -0.9871 2.3553 0.5353 C.2 1 UNL111111 0.4028 22 C -6.3857 -0.8944 0.9234 C.3 1 UNL111111 -0.0552 23 C 4.6189 0.4804 0.7774 C.2 1 UNL111111 0.0518 24 C 3.8506 1.0915 -0.1348 C.2 1 UNL111111 -0.2485 25 C 0.6258 4.1834 0.1114 C.3 1 UNL111111 -0.4988 26 C -0.4203 1.2126 -1.6485 C.ar 1 UNL111111 -0.0987 27 C -1.3791 1.7089 -0.7238 C.ar 1 UNL111111 -0.1548 28 C -7.7275 -1.6336 1.0223 C.3 1 UNL111111 -0.4586 29 C -6.4662 0.1856 -0.1622 C.3 1 UNL111111 -0.4522 30 C 4.5901 0.8189 2.2303 C.3 1 UNL111111 -0.4571 31 C -0.7823 0.5308 -2.8320 C.ar 1 UNL111111 -0.1184 32 C -2.6952 1.5068 -1.0676 C.ar 1 UNL111111 0.0756 33 C -2.1395 0.4026 -3.0185 C.ar 1 UNL111111 0.0300 34 C -3.0315 0.8781 -2.1765 C.ar 1 UNL111111 -0.0494 35 H -1.3897 -0.7737 -0.1295 H 1 UNL111111 0.1235 36 H 3.5143 -1.5306 -1.1353 H 1 UNL111111 0.1412 37 H -0.2224 -3.4895 0.7575 H 1 UNL111111 0.1394 38 H -0.7298 -3.1474 -0.8975 H 1 UNL111111 0.1345 39 H 1.7775 -3.3523 -1.7920 H 1 UNL111111 0.1368 40 H 1.9255 -3.9923 -0.1572 H 1 UNL111111 0.1381 41 H 1.3888 -1.5194 0.6482 H 1 UNL111111 0.1392 42 H 0.9000 -1.2212 -1.0247 H 1 UNL111111 0.1279 43 H -2.8072 -3.1326 1.2773 H 1 UNL111111 0.1387 44 H -2.9591 -2.7640 -0.4418 H 1 UNL111111 0.1341 45 H 1.3422 0.7772 0.6453 H 1 UNL111111 0.1956 46 H 3.8023 -3.4362 1.2821 H 1 UNL111111 0.1337 47 H 3.2148 -1.7697 1.3364 H 1 UNL111111 0.1429 48 H -3.7491 -0.3843 0.2270 H 1 UNL111111 0.1369 49 H -3.7908 -0.9356 1.9014 H 1 UNL111111 0.1414 50 H 5.5573 -1.8942 2.0805 H 1 UNL111111 0.1315 51 H 6.0596 -2.6784 0.5835 H 1 UNL111111 0.1338 52 H 3.0676 2.6341 1.1615 H 1 UNL111111 0.1635 53 H 3.0764 3.0322 -0.5656 H 1 UNL111111 0.1499 54 H -1.0434 -2.0020 2.6865 H 1 UNL111111 0.1449 55 H 0.0086 -0.7624 2.0006 H 1 UNL111111 0.1401 56 H -1.6890 -0.4001 2.3157 H 1 UNL111111 0.1486 57 H -5.3794 -2.7987 1.2546 H 1 UNL111111 0.1360 58 H -5.3469 -2.2571 -0.4238 H 1 UNL111111 0.1371 59 H 4.4016 -4.4928 -1.0259 H 1 UNL111111 0.1424 60 H 5.4124 -3.1204 -1.4921 H 1 UNL111111 0.1428 61 H 4.0479 -3.5896 -2.5054 H 1 UNL111111 0.1403 62 H 6.6280 -0.2334 0.6153 H 1 UNL111111 0.1435 63 H 5.6101 -0.6822 -0.7503 H 1 UNL111111 0.1473 64 H -6.1745 -0.4035 1.9040 H 1 UNL111111 0.1304 65 H 3.8943 0.8118 -1.1886 H 1 UNL111111 0.1626 66 H 1.5890 4.6244 0.4084 H 1 UNL111111 0.1762 67 H 0.5795 4.1986 -0.9829 H 1 UNL111111 0.1624 68 H -0.1533 4.8554 0.4936 H 1 UNL111111 0.1636 69 H 0.0695 3.1042 2.5920 H 1 UNL111111 0.3401 70 H -7.7158 -2.3773 1.8256 H 1 UNL111111 0.1401 71 H -7.9658 -2.1555 0.0897 H 1 UNL111111 0.1430 72 H -8.5480 -0.9388 1.2291 H 1 UNL111111 0.1417 73 H -5.5332 0.7566 -0.2285 H 1 UNL111111 0.1431 74 H -7.2708 0.8982 0.0468 H 1 UNL111111 0.1409 75 H -6.6569 -0.2502 -1.1482 H 1 UNL111111 0.1425 76 H 3.5621 0.8171 2.6242 H 1 UNL111111 0.1635 77 H 5.0036 1.8215 2.4114 H 1 UNL111111 0.1543 78 H 5.1694 0.1171 2.8431 H 1 UNL111111 0.1508 79 H -0.0306 0.1579 -3.5267 H 1 UNL111111 0.2008 @BOND 1 72 28 1 2 71 28 1 3 28 70 1 4 28 22 1 5 74 29 1 6 75 29 1 7 29 22 1 8 29 73 1 9 22 64 1 10 22 17 1 11 58 17 1 12 57 17 1 13 17 13 1 14 13 48 1 15 13 49 1 16 13 9 1 17 34 32 ar 18 34 33 ar 19 44 9 1 20 32 27 ar 21 9 43 1 22 9 4 1 23 33 31 ar 24 35 4 1 25 27 21 1 26 27 26 ar 27 4 16 1 28 4 6 1 29 31 79 1 30 31 26 ar 31 3 21 2 32 56 16 1 33 38 6 1 34 21 12 1 35 16 54 1 36 16 55 1 37 26 20 1 38 6 37 1 39 6 8 1 40 68 25 1 41 42 8 1 42 67 25 1 43 8 41 1 44 8 7 1 45 69 1 1 46 12 25 1 47 12 1 1 48 12 11 1 49 20 2 2 50 20 11 1 51 25 66 1 52 39 7 1 53 45 11 1 54 11 15 1 55 40 7 1 56 7 5 1 57 15 53 1 58 15 52 1 59 15 24 1 60 5 36 1 61 5 18 1 62 5 10 1 63 61 18 1 64 47 10 1 65 65 24 1 66 18 59 1 67 18 60 1 68 46 10 1 69 10 14 1 70 24 23 2 71 76 30 1 72 23 30 1 73 23 19 1 74 30 77 1 75 30 78 1 76 63 19 1 77 14 19 1 78 14 50 1 79 14 51 1 80 19 62 1