@MOLECULE (e,e,e)-2-methyl-3-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-1,4-naphthalenediol 75 76 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 6.4750 2.1962 1.5125 C.ar 1 UNL1 -0.1176 2 C 7.6401 2.2264 -1.0411 C.ar 1 UNL1 -0.1243 3 C 7.3612 3.1857 1.1641 C.ar 1 UNL1 -0.1546 4 C 7.9491 3.2004 -0.1236 C.ar 1 UNL1 -0.1496 5 C 4.0461 -2.0149 0.4560 C.3 1 UNL1 -0.2621 6 C 0.3523 -1.2928 1.4278 C.3 1 UNL1 -0.2833 7 C -0.5412 -2.4655 0.9793 C.3 1 UNL1 -0.2552 8 C -3.9760 -1.4718 -0.5340 C.3 1 UNL1 -0.2855 9 C -4.0125 -0.0367 -1.0932 C.3 1 UNL1 -0.2553 10 C -7.3559 1.8297 -0.4489 C.3 1 UNL1 -0.2852 11 C -8.1833 1.1829 0.6792 C.3 1 UNL1 -0.2548 12 C 5.1115 -1.8835 -2.3099 C.3 1 UNL1 -0.4214 13 C 2.1395 -2.4095 2.8152 C.3 1 UNL1 -0.4608 14 C -1.9105 -2.3643 -1.7047 C.3 1 UNL1 -0.4533 15 C -5.1140 2.1230 0.7005 C.3 1 UNL1 -0.4523 16 C -10.2287 -0.5969 -0.6110 C.3 1 UNL1 -0.4544 17 C -11.9649 1.1876 -0.1900 C.3 1 UNL1 -0.4580 18 H 3.9390 -0.3936 2.2642 H 1 UNL1 0.3381 19 H 6.7422 -0.4590 -3.4373 H 1 UNL1 0.3224 20 C 5.2402 0.1207 0.8929 C.ar 1 UNL1 0.2121 21 C 4.9330 -0.8919 0.0092 C.ar 1 UNL1 -0.1163 22 C 6.3659 0.1606 -1.6163 C.ar 1 UNL1 0.1895 23 C 5.4861 -0.8523 -1.3008 C.ar 1 UNL1 -0.0886 24 O 4.7339 0.1914 2.1538 O.3 1 UNL1 -0.4785 25 O 6.9768 0.2847 -2.8282 O.3 1 UNL1 -0.4705 26 C 1.7778 -1.7548 1.5245 C.2 1 UNL1 0.0158 27 C -2.5578 -1.9497 -0.4248 C.2 1 UNL1 0.0345 28 C -5.9192 1.4115 -0.3356 C.2 1 UNL1 0.0348 29 C -10.5406 0.7552 -0.0585 C.2 1 UNL1 0.0564 30 C 2.6176 -1.5759 0.4969 C.2 1 UNL1 -0.2203 31 C -1.9397 -1.9918 0.7629 C.2 1 UNL1 -0.2328 32 C -5.4219 0.4537 -1.1293 C.2 1 UNL1 -0.2307 33 C -9.6235 1.5431 0.5187 C.2 1 UNL1 -0.2381 34 C 6.1459 1.1799 0.5812 C.ar 1 UNL1 -0.0432 35 C 6.7286 1.1954 -0.7009 C.ar 1 UNL1 -0.0332 36 H 6.0121 2.1696 2.4999 H 1 UNL1 0.1691 37 H 8.0833 2.2250 -2.0375 H 1 UNL1 0.1683 38 H 4.1376 -2.8962 -0.2176 H 1 UNL1 0.1619 39 H 4.4004 -2.3998 1.4388 H 1 UNL1 0.1513 40 H 7.6227 3.9700 1.8710 H 1 UNL1 0.1484 41 H 8.6484 3.9954 -0.3739 H 1 UNL1 0.1483 42 H 4.0211 -2.0459 -2.3262 H 1 UNL1 0.1646 43 H 5.3918 -1.6119 -3.3370 H 1 UNL1 0.1366 44 H 5.5871 -2.8509 -2.0855 H 1 UNL1 0.1583 45 H 2.2870 -1.0781 -0.4162 H 1 UNL1 0.1584 46 H 0.2479 -0.4532 0.7108 H 1 UNL1 0.1532 47 H -0.0033 -0.8929 2.3970 H 1 UNL1 0.1476 48 H 2.2927 -1.6634 3.6089 H 1 UNL1 0.1568 49 H 1.3396 -3.0807 3.1629 H 1 UNL1 0.1607 50 H 3.0498 -3.0199 2.7535 H 1 UNL1 0.1526 51 H -0.1136 -2.9303 0.0694 H 1 UNL1 0.1454 52 H -0.5297 -3.2668 1.7466 H 1 UNL1 0.1405 53 H -2.4462 -1.6696 1.6712 H 1 UNL1 0.1464 54 H -4.4859 -1.4947 0.4501 H 1 UNL1 0.1483 55 H -4.5660 -2.1490 -1.1825 H 1 UNL1 0.1468 56 H -3.3581 0.6149 -0.4815 H 1 UNL1 0.1465 57 H -3.5749 -0.0130 -2.1121 H 1 UNL1 0.1425 58 H -6.0474 -0.0440 -1.8681 H 1 UNL1 0.1447 59 H -1.6950 -3.4425 -1.7079 H 1 UNL1 0.1545 60 H -2.5372 -2.1592 -2.5822 H 1 UNL1 0.1513 61 H -0.9572 -1.8384 -1.8614 H 1 UNL1 0.1579 62 H -7.7841 1.5439 -1.4304 H 1 UNL1 0.1467 63 H -7.4488 2.9326 -0.4037 H 1 UNL1 0.1477 64 H -8.0291 0.0855 0.6711 H 1 UNL1 0.1455 65 H -7.8078 1.5214 1.6657 H 1 UNL1 0.1415 66 H -9.8859 2.5259 0.9031 H 1 UNL1 0.1453 67 H -4.3329 2.7431 0.2370 H 1 UNL1 0.1564 68 H -5.7223 2.7872 1.3276 H 1 UNL1 0.1506 69 H -4.6121 1.4149 1.3759 H 1 UNL1 0.1573 70 H -9.8628 -1.2736 0.1754 H 1 UNL1 0.1569 71 H -11.0986 -1.0798 -1.0722 H 1 UNL1 0.1484 72 H -9.4446 -0.5397 -1.3805 H 1 UNL1 0.1584 73 H -12.2885 1.1752 -1.2403 H 1 UNL1 0.1548 74 H -12.6333 0.5158 0.3673 H 1 UNL1 0.1553 75 H -12.1391 2.2030 0.1886 H 1 UNL1 0.1508 @BOND 1 19 25 1 2 43 12 1 3 25 22 1 4 60 14 1 5 42 12 1 6 12 44 1 7 12 23 1 8 57 9 1 9 37 2 1 10 58 32 1 11 61 14 1 12 59 14 1 13 14 27 1 14 22 23 ar 15 22 35 ar 16 62 10 1 17 72 16 1 18 23 21 ar 19 73 17 1 20 55 8 1 21 32 9 1 22 32 28 2 23 9 8 1 24 9 56 1 25 71 16 1 26 2 35 ar 27 2 4 ar 28 35 34 ar 29 16 29 1 30 16 70 1 31 8 27 1 32 8 54 1 33 10 63 1 34 10 28 1 35 10 11 1 36 27 31 2 37 45 30 1 38 41 4 1 39 28 15 1 40 38 5 1 41 17 29 1 42 17 75 1 43 17 74 1 44 4 3 ar 45 29 33 2 46 21 5 1 47 21 20 ar 48 51 7 1 49 67 15 1 50 5 30 1 51 5 39 1 52 30 26 2 53 33 11 1 54 33 66 1 55 34 20 ar 56 34 1 ar 57 64 11 1 58 11 65 1 59 15 68 1 60 15 69 1 61 46 6 1 62 31 7 1 63 31 53 1 64 20 24 1 65 7 6 1 66 7 52 1 67 3 1 ar 68 3 40 1 69 6 26 1 70 6 47 1 71 1 36 1 72 26 13 1 73 24 18 1 74 50 13 1 75 13 49 1 76 13 48 1