@MOLECULE 2-methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-1,4-naphthalenediol 81 82 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -6.8436 -1.4985 1.2195 O.3 1 UNL1 -0.4714 2 O -5.6634 2.9903 -1.6691 O.3 1 UNL1 -0.4701 3 C 6.9037 0.0519 -0.1701 C.3 1 UNL1 -0.0790 4 C 5.7882 -0.6660 0.6180 C.3 1 UNL1 -0.2898 5 C 2.0329 -1.3134 -0.1770 C.3 1 UNL1 -0.0803 6 C 4.5396 -0.8910 -0.2446 C.3 1 UNL1 -0.2701 7 C 3.3562 -1.3553 0.6144 C.3 1 UNL1 -0.2907 8 C 8.2136 0.0012 0.6427 C.3 1 UNL1 -0.2894 9 C 0.9544 -2.0974 0.5977 C.3 1 UNL1 -0.2902 10 C 9.4183 0.4641 -0.1873 C.3 1 UNL1 -0.2705 11 C 10.6701 0.5808 0.6914 C.3 1 UNL1 -0.2894 12 C 6.5069 1.5071 -0.4514 C.3 1 UNL1 -0.4505 13 C -0.3186 -2.2797 -0.2354 C.3 1 UNL1 -0.2594 14 C 1.5877 0.1379 -0.3983 C.3 1 UNL1 -0.4499 15 C 11.8711 1.1366 -0.0980 C.3 1 UNL1 -0.0595 16 C -1.4165 -2.9787 0.5836 C.3 1 UNL1 -0.2930 17 C 13.1608 0.9211 0.7059 C.3 1 UNL1 -0.4572 18 C 11.6909 2.6304 -0.3960 C.3 1 UNL1 -0.4531 19 C -2.7000 -2.9603 -0.1940 C.2 1 UNL1 0.0228 20 C -3.5539 -1.9352 -0.0715 C.2 1 UNL1 -0.2263 21 C -2.9389 -4.1238 -1.0952 C.3 1 UNL1 -0.4549 22 C -4.8336 -1.8211 -0.8358 C.3 1 UNL1 -0.2533 23 C -5.5256 -0.5235 -0.5506 C.ar 1 UNL1 -0.1204 24 C -5.1961 0.6495 -1.2867 C.ar 1 UNL1 -0.0851 25 C -6.4852 -0.4454 0.4342 C.ar 1 UNL1 0.2061 26 C -7.2133 0.7502 0.7197 C.ar 1 UNL1 -0.0415 27 C -6.9088 1.9037 -0.0290 C.ar 1 UNL1 -0.0333 28 C -5.8851 1.8124 -1.0212 C.ar 1 UNL1 0.1890 29 C -4.1182 0.6079 -2.3148 C.3 1 UNL1 -0.4213 30 C -8.2160 0.8100 1.7192 C.ar 1 UNL1 -0.1192 31 C -7.6119 3.1079 0.2246 C.ar 1 UNL1 -0.1245 32 C -8.8861 1.9864 1.9503 C.ar 1 UNL1 -0.1543 33 C -8.5816 3.1450 1.1963 C.ar 1 UNL1 -0.1495 34 H -3.3434 -1.1041 0.6012 H 1 UNL1 0.1625 35 H -6.2107 -2.2555 1.1298 H 1 UNL1 0.3299 36 H -4.9466 2.9073 -2.3470 H 1 UNL1 0.3229 37 H 7.0599 -0.4782 -1.1387 H 1 UNL1 0.1312 38 H 5.5292 -0.0732 1.5150 H 1 UNL1 0.1394 39 H 6.1556 -1.6383 0.9951 H 1 UNL1 0.1349 40 H 2.1902 -1.8006 -1.1677 H 1 UNL1 0.1305 41 H 4.7504 -1.6331 -1.0359 H 1 UNL1 0.1334 42 H 4.2751 0.0442 -0.7744 H 1 UNL1 0.1406 43 H 3.5480 -2.3804 0.9816 H 1 UNL1 0.1349 44 H 3.2672 -0.7240 1.5177 H 1 UNL1 0.1401 45 H 8.3923 -1.0282 1.0054 H 1 UNL1 0.1350 46 H 8.1129 0.6279 1.5480 H 1 UNL1 0.1391 47 H 0.7202 -1.5723 1.5424 H 1 UNL1 0.1412 48 H 1.3492 -3.0878 0.8916 H 1 UNL1 0.1347 49 H 9.2013 1.4405 -0.6601 H 1 UNL1 0.1396 50 H 9.6001 -0.2409 -1.0189 H 1 UNL1 0.1340 51 H 10.9231 -0.4113 1.1093 H 1 UNL1 0.1361 52 H 10.4644 1.2295 1.5626 H 1 UNL1 0.1389 53 H 6.3462 2.0635 0.4783 H 1 UNL1 0.1445 54 H 5.5821 1.5661 -1.0348 H 1 UNL1 0.1406 55 H 7.2823 2.0315 -1.0198 H 1 UNL1 0.1420 56 H -0.0995 -2.8607 -1.1497 H 1 UNL1 0.1352 57 H -0.6916 -1.2966 -0.5836 H 1 UNL1 0.1440 58 H 1.3737 0.6393 0.5519 H 1 UNL1 0.1460 59 H 0.6824 0.1912 -1.0125 H 1 UNL1 0.1418 60 H 2.3610 0.7214 -0.9094 H 1 UNL1 0.1412 61 H 11.9553 0.5845 -1.0644 H 1 UNL1 0.1284 62 H -1.5391 -2.4700 1.5613 H 1 UNL1 0.1490 63 H -1.1115 -4.0133 0.8307 H 1 UNL1 0.1447 64 H 13.1117 1.4192 1.6799 H 1 UNL1 0.1444 65 H 14.0308 1.3228 0.1755 H 1 UNL1 0.1424 66 H 13.3468 -0.1428 0.8850 H 1 UNL1 0.1409 67 H 11.5685 3.2102 0.5249 H 1 UNL1 0.1443 68 H 10.8080 2.8110 -1.0181 H 1 UNL1 0.1415 69 H 12.5572 3.0355 -0.9293 H 1 UNL1 0.1410 70 H -2.0136 -4.6667 -1.3319 H 1 UNL1 0.1537 71 H -3.3825 -3.8219 -2.0544 H 1 UNL1 0.1527 72 H -3.6271 -4.8450 -0.6296 H 1 UNL1 0.1566 73 H -5.4973 -2.6878 -0.6151 H 1 UNL1 0.1455 74 H -4.6377 -1.9181 -1.9292 H 1 UNL1 0.1620 75 H -3.2204 0.0981 -1.9252 H 1 UNL1 0.1691 76 H -3.7888 1.6016 -2.6464 H 1 UNL1 0.1359 77 H -4.4446 0.0560 -3.2100 H 1 UNL1 0.1579 78 H -8.4379 -0.0917 2.2913 H 1 UNL1 0.1689 79 H -7.3652 3.9920 -0.3649 H 1 UNL1 0.1688 80 H -9.6582 2.0437 2.7144 H 1 UNL1 0.1487 81 H -9.1275 4.0638 1.3995 H 1 UNL1 0.1487 @BOND 1 77 29 1 2 76 29 1 3 36 2 1 4 29 75 1 5 29 24 1 6 71 21 1 7 74 22 1 8 2 28 1 9 70 21 1 10 24 28 ar 11 24 23 ar 12 40 5 1 13 56 13 1 14 37 3 1 15 21 72 1 16 21 19 1 17 61 15 1 18 41 6 1 19 54 12 1 20 28 27 ar 21 55 12 1 22 50 10 1 23 68 18 1 24 59 14 1 25 69 18 1 26 60 14 1 27 22 73 1 28 22 23 1 29 22 20 1 30 42 6 1 31 49 10 1 32 57 13 1 33 23 25 ar 34 12 3 1 35 12 53 1 36 14 5 1 37 14 58 1 38 18 15 1 39 18 67 1 40 79 31 1 41 6 7 1 42 6 4 1 43 13 16 1 44 13 9 1 45 19 20 2 46 19 16 1 47 10 8 1 48 10 11 1 49 5 9 1 50 5 7 1 51 3 4 1 52 3 8 1 53 15 11 1 54 15 17 1 55 20 34 1 56 27 31 ar 57 27 26 ar 58 65 17 1 59 31 33 ar 60 25 26 ar 61 25 1 1 62 16 63 1 63 16 62 1 64 9 48 1 65 9 47 1 66 7 43 1 67 7 44 1 68 4 39 1 69 4 38 1 70 8 45 1 71 8 46 1 72 11 51 1 73 11 52 1 74 17 66 1 75 17 64 1 76 26 30 ar 77 35 1 1 78 33 81 1 79 33 32 ar 80 30 32 ar 81 30 78 1 82 32 80 1