@MOLECULE 2-methyl-3-[(2e,6e,10e,14e,18e,22e,26z,30e)-3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaen-1-yl]-1,4-naphthoquinone 138 139 0 0 0 SMALL GASTEIGER @ATOM 1 C 4.4491 -0.2094 -2.3765 C.2 1 UNL1111111111 -0.0594 2 C 3.6872 0.7801 -3.1809 C.3 1 UNL1111111111 -0.4360 3 C 3.6316 -1.3239 -1.8188 C.2 1 UNL1111111111 0.4477 4 O 2.4806 -1.4901 -2.1503 O.2 1 UNL1111111111 -0.4247 5 C 4.2791 -2.2231 -0.8336 C.ar 1 UNL1111111111 -0.1102 6 C 5.6592 -2.1602 -0.6230 C.ar 1 UNL1111111111 -0.1226 7 C 6.4860 -1.1844 -1.3744 C.2 1 UNL1111111111 0.4447 8 O 7.6937 -1.2446 -1.3391 O.2 1 UNL1111111111 -0.4261 9 C 5.7742 -0.1437 -2.1647 C.2 1 UNL1111111111 -0.0827 10 C 3.5033 -3.1246 -0.1112 C.ar 1 UNL1111111111 -0.0927 11 C 4.1084 -3.9605 0.8298 C.ar 1 UNL1111111111 -0.1337 12 C 5.4839 -3.9019 1.0349 C.ar 1 UNL1111111111 -0.1399 13 C 6.2648 -3.0044 0.3034 C.ar 1 UNL1111111111 -0.0969 14 C 6.6493 0.9527 -2.6830 C.3 1 UNL1111111111 -0.2586 15 C 6.7444 2.0478 -1.6659 C.2 1 UNL1111111111 -0.2453 16 C 7.8751 2.4161 -1.0478 C.2 1 UNL1111111111 0.0700 17 C 9.1917 1.7597 -1.2943 C.3 1 UNL1111111111 -0.4668 18 C 7.8831 3.5653 -0.0806 C.3 1 UNL1111111111 -0.2889 19 C 8.2008 3.1099 1.3568 C.3 1 UNL1111111111 -0.2529 20 C 7.0033 2.4971 2.0044 C.2 1 UNL1111111111 -0.2320 21 C 6.9206 1.2269 2.4216 C.2 1 UNL1111111111 0.0364 22 C 8.0301 0.2385 2.2786 C.3 1 UNL1111111111 -0.4578 23 C 5.6615 0.7113 3.0573 C.3 1 UNL1111111111 -0.2838 24 C 5.0442 -0.4047 2.1899 C.3 1 UNL1111111111 -0.2598 25 C 3.5806 -0.2109 1.9686 C.2 1 UNL1111111111 -0.2286 26 C 3.0509 0.7269 1.1720 C.2 1 UNL1111111111 0.0360 27 C 3.8391 1.7569 0.4393 C.3 1 UNL1111111111 -0.4687 28 C 1.5677 0.8043 0.9621 C.3 1 UNL1111111111 -0.2810 29 C 0.9086 1.6566 2.0656 C.3 1 UNL1111111111 -0.2546 30 C -0.5383 1.8187 1.7374 C.2 1 UNL1111111111 -0.2327 31 C -1.4812 0.8930 1.9568 C.2 1 UNL1111111111 0.0386 32 C -1.2480 -0.4108 2.6403 C.3 1 UNL1111111111 -0.4602 33 C -2.8721 1.0923 1.4228 C.3 1 UNL1111111111 -0.2883 34 C -2.8556 0.7205 -0.0720 C.3 1 UNL1111111111 -0.2687 35 C -4.2222 0.6968 -0.6624 C.2 1 UNL1111111111 -0.2251 36 C -4.5063 1.0795 -1.9145 C.2 1 UNL1111111111 0.0197 37 C -3.4743 1.5878 -2.8671 C.3 1 UNL1111111111 -0.4510 38 C -5.9115 1.0330 -2.4379 C.3 1 UNL1111111111 -0.2837 39 C -6.5572 2.4346 -2.3677 C.3 1 UNL1111111111 -0.2569 40 C -7.6881 2.4667 -1.3917 C.2 1 UNL1111111111 -0.2241 41 C -7.5889 2.8223 -0.1043 C.2 1 UNL1111111111 0.0327 42 C -6.3115 3.2029 0.5653 C.3 1 UNL1111111111 -0.4624 43 C -8.8089 2.8839 0.7727 C.3 1 UNL1111111111 -0.2839 44 C -9.1730 1.4909 1.3244 C.3 1 UNL1111111111 -0.2583 45 C -10.0498 0.7576 0.3628 C.2 1 UNL1111111111 -0.2227 46 C -9.6782 -0.2984 -0.3719 C.2 1 UNL1111111111 0.0300 47 C -10.6314 -0.9561 -1.3179 C.3 1 UNL1111111111 -0.4560 48 C -8.3114 -0.9068 -0.3301 C.3 1 UNL1111111111 -0.2846 49 C -8.2223 -1.9642 0.7868 C.3 1 UNL1111111111 -0.2543 50 C -6.8204 -2.4700 0.8710 C.2 1 UNL1111111111 -0.2277 51 C -5.8554 -1.9225 1.6218 C.2 1 UNL1111111111 0.0370 52 C -6.0788 -0.7439 2.5113 C.3 1 UNL1111111111 -0.4561 53 C -4.4559 -2.4685 1.6217 C.3 1 UNL1111111111 -0.2896 54 C -3.9484 -2.7748 0.2006 C.3 1 UNL1111111111 -0.2592 55 C -2.4660 -2.9469 0.1845 C.2 1 UNL1111111111 -0.2489 56 C -1.6866 -2.6654 -0.8693 C.2 1 UNL1111111111 0.0555 57 C -0.2038 -2.8253 -0.8008 C.3 1 UNL1111111111 -0.4596 58 C -2.2161 -2.1877 -2.1804 C.3 1 UNL1111111111 -0.4646 59 H 2.6058 0.7552 -2.9602 H 1 UNL1111111111 0.1768 60 H 4.0290 1.8123 -3.0170 H 1 UNL1111111111 0.1605 61 H 3.7854 0.5690 -4.2581 H 1 UNL1111111111 0.1648 62 H 2.4245 -3.1703 -0.2827 H 1 UNL1111111111 0.1754 63 H 3.4999 -4.6593 1.4021 H 1 UNL1111111111 0.1536 64 H 5.9555 -4.5562 1.7666 H 1 UNL1111111111 0.1525 65 H 7.3461 -2.9570 0.4546 H 1 UNL1111111111 0.1738 66 H 6.2598 1.3636 -3.6404 H 1 UNL1111111111 0.1540 67 H 7.6555 0.5473 -2.9414 H 1 UNL1111111111 0.1725 68 H 5.7994 2.5438 -1.4559 H 1 UNL1111111111 0.1490 69 H 9.9883 2.1335 -0.6406 H 1 UNL1111111111 0.1489 70 H 9.1277 0.6688 -1.1332 H 1 UNL1111111111 0.1802 71 H 9.5273 1.9116 -2.3295 H 1 UNL1111111111 0.1547 72 H 6.9148 4.1045 -0.0907 H 1 UNL1111111111 0.1463 73 H 8.6367 4.3110 -0.4077 H 1 UNL1111111111 0.1440 74 H 8.5329 3.9846 1.9550 H 1 UNL1111111111 0.1390 75 H 9.0646 2.4168 1.3491 H 1 UNL1111111111 0.1457 76 H 6.1641 3.1814 2.1208 H 1 UNL1111111111 0.1455 77 H 8.9532 0.5947 2.7547 H 1 UNL1111111111 0.1533 78 H 7.7913 -0.7349 2.7243 H 1 UNL1111111111 0.1499 79 H 8.2589 0.0586 1.2149 H 1 UNL1111111111 0.1665 80 H 4.9231 1.5255 3.2030 H 1 UNL1111111111 0.1547 81 H 5.8750 0.3324 4.0749 H 1 UNL1111111111 0.1434 82 H 5.2412 -1.3905 2.6529 H 1 UNL1111111111 0.1345 83 H 5.5636 -0.4423 1.2069 H 1 UNL1111111111 0.1521 84 H 2.9442 -0.9162 2.4978 H 1 UNL1111111111 0.1426 85 H 3.6485 1.7134 -0.6421 H 1 UNL1111111111 0.1545 86 H 3.5759 2.7679 0.7803 H 1 UNL1111111111 0.1548 87 H 4.9260 1.6455 0.5786 H 1 UNL1111111111 0.1696 88 H 1.1123 -0.2066 0.9527 H 1 UNL1111111111 0.1486 89 H 1.3296 1.2331 -0.0314 H 1 UNL1111111111 0.1481 90 H 1.4137 2.6391 2.1373 H 1 UNL1111111111 0.1376 91 H 1.0581 1.1804 3.0540 H 1 UNL1111111111 0.1426 92 H -0.7836 2.7543 1.2385 H 1 UNL1111111111 0.1435 93 H -1.9270 -0.5423 3.4935 H 1 UNL1111111111 0.1498 94 H -1.4228 -1.2487 1.9442 H 1 UNL1111111111 0.1660 95 H -0.2251 -0.5197 3.0227 H 1 UNL1111111111 0.1538 96 H -3.2120 2.1368 1.5519 H 1 UNL1111111111 0.1445 97 H -3.6086 0.4699 1.9655 H 1 UNL1111111111 0.1470 98 H -2.3879 -0.2855 -0.1905 H 1 UNL1111111111 0.1665 99 H -2.1835 1.4169 -0.6118 H 1 UNL1111111111 0.1449 100 H -5.0009 0.3169 0.0000 H 1 UNL1111111111 0.1551 101 H -2.7337 0.8101 -3.1038 H 1 UNL1111111111 0.1550 102 H -3.9060 1.9245 -3.8176 H 1 UNL1111111111 0.1468 103 H -2.9250 2.4428 -2.4465 H 1 UNL1111111111 0.1536 104 H -6.5240 0.3053 -1.8692 H 1 UNL1111111111 0.1530 105 H -5.9256 0.6599 -3.4796 H 1 UNL1111111111 0.1418 106 H -6.9215 2.7272 -3.3723 H 1 UNL1111111111 0.1342 107 H -5.7919 3.1956 -2.1120 H 1 UNL1111111111 0.1489 108 H -8.6497 2.1685 -1.8093 H 1 UNL1111111111 0.1493 109 H -6.1894 4.2945 0.5841 H 1 UNL1111111111 0.1528 110 H -6.2722 2.8476 1.6031 H 1 UNL1111111111 0.1500 111 H -5.4297 2.7865 0.0529 H 1 UNL1111111111 0.1701 112 H -9.6681 3.3020 0.2108 H 1 UNL1111111111 0.1464 113 H -8.6464 3.5852 1.6141 H 1 UNL1111111111 0.1402 114 H -9.6985 1.6007 2.2950 H 1 UNL1111111111 0.1367 115 H -8.2470 0.9272 1.5559 H 1 UNL1111111111 0.1506 116 H -11.0575 1.1635 0.2875 H 1 UNL1111111111 0.1420 117 H -11.6587 -0.5854 -1.2142 H 1 UNL1111111111 0.1477 118 H -10.3284 -0.7833 -2.3607 H 1 UNL1111111111 0.1551 119 H -10.6615 -2.0434 -1.1613 H 1 UNL1111111111 0.1540 120 H -7.5408 -0.1220 -0.1625 H 1 UNL1111111111 0.1611 121 H -8.0515 -1.3700 -1.3022 H 1 UNL1111111111 0.1454 122 H -8.9287 -2.7915 0.5796 H 1 UNL1111111111 0.1372 123 H -8.5626 -1.5280 1.7469 H 1 UNL1111111111 0.1429 124 H -6.6191 -3.3325 0.2388 H 1 UNL1111111111 0.1464 125 H -5.3866 -0.7227 3.3625 H 1 UNL1111111111 0.1500 126 H -5.9463 0.1961 1.9525 H 1 UNL1111111111 0.1602 127 H -7.0948 -0.7258 2.9303 H 1 UNL1111111111 0.1536 128 H -4.4156 -3.3849 2.2439 H 1 UNL1111111111 0.1442 129 H -3.7577 -1.7522 2.1033 H 1 UNL1111111111 0.1500 130 H -4.2624 -1.9540 -0.4817 H 1 UNL1111111111 0.1589 131 H -4.4373 -3.6883 -0.1949 H 1 UNL1111111111 0.1430 132 H -2.0406 -3.3334 1.1075 H 1 UNL1111111111 0.1433 133 H 0.1592 -3.5141 -1.5777 H 1 UNL1111111111 0.1594 134 H 0.3068 -1.8630 -0.9780 H 1 UNL1111111111 0.1726 135 H 0.1396 -3.2062 0.1678 H 1 UNL1111111111 0.1419 136 H -2.9605 -1.3838 -2.0594 H 1 UNL1111111111 0.1653 137 H -1.4269 -1.7980 -2.8362 H 1 UNL1111111111 0.1535 138 H -2.7146 -3.0049 -2.7207 H 1 UNL1111111111 0.1556 @BOND 1 1 2 1 2 1 3 1 3 1 9 2 4 2 59 1 5 2 60 1 6 2 61 1 7 3 4 2 8 3 5 1 9 5 6 ar 10 5 10 ar 11 6 7 1 12 6 13 ar 13 7 8 2 14 7 9 1 15 9 14 1 16 10 11 ar 17 10 62 1 18 11 12 ar 19 11 63 1 20 12 13 ar 21 12 64 1 22 13 65 1 23 14 15 1 24 14 66 1 25 14 67 1 26 15 16 2 27 15 68 1 28 16 17 1 29 16 18 1 30 17 69 1 31 17 70 1 32 17 71 1 33 18 19 1 34 18 72 1 35 18 73 1 36 19 20 1 37 19 74 1 38 19 75 1 39 20 21 2 40 20 76 1 41 21 22 1 42 21 23 1 43 22 77 1 44 22 78 1 45 22 79 1 46 23 24 1 47 23 80 1 48 23 81 1 49 24 25 1 50 24 82 1 51 24 83 1 52 25 26 2 53 25 84 1 54 26 27 1 55 26 28 1 56 27 85 1 57 27 86 1 58 27 87 1 59 28 29 1 60 28 88 1 61 28 89 1 62 29 30 1 63 29 90 1 64 29 91 1 65 30 31 2 66 30 92 1 67 31 32 1 68 31 33 1 69 32 93 1 70 32 94 1 71 32 95 1 72 33 34 1 73 33 96 1 74 33 97 1 75 34 35 1 76 34 98 1 77 34 99 1 78 35 36 2 79 35 100 1 80 36 37 1 81 36 38 1 82 37 101 1 83 37 102 1 84 37 103 1 85 38 39 1 86 38 104 1 87 38 105 1 88 39 40 1 89 39 106 1 90 39 107 1 91 40 41 2 92 40 108 1 93 41 42 1 94 41 43 1 95 42 109 1 96 42 110 1 97 42 111 1 98 43 44 1 99 43 112 1 100 43 113 1 101 44 45 1 102 44 114 1 103 44 115 1 104 45 46 2 105 45 116 1 106 46 47 1 107 46 48 1 108 47 117 1 109 47 118 1 110 47 119 1 111 48 49 1 112 48 120 1 113 48 121 1 114 49 50 1 115 49 122 1 116 49 123 1 117 50 51 2 118 50 124 1 119 51 52 1 120 51 53 1 121 52 125 1 122 52 126 1 123 52 127 1 124 53 54 1 125 53 128 1 126 53 129 1 127 54 55 1 128 54 130 1 129 54 131 1 130 55 56 2 131 55 132 1 132 56 57 1 133 56 58 1 134 57 133 1 135 57 134 1 136 57 135 1 137 58 136 1 138 58 137 1 139 58 138 1