@MOLECULE 2-methyl-3-[(2e,6e,10e,14e,18z,22e,26e)-3,7,11,15,19,23,27,31-octamethyl-2,6,10,14,18,22,26,30-dotriacontaoctaen-1-yl]-1,4-naphthoquinone 125 126 0 0 0 SMALL GASTEIGER @ATOM 1 C 9.1830 -1.7576 1.5555 C.2 1 UNL1111 0.4354 2 O 9.3037 -2.6388 2.3726 O.2 1 UNL1111 -0.4100 3 C 8.6571 -2.0156 0.1845 C.2 1 UNL1111 -0.0644 4 C 7.9151 -3.2891 0.0131 C.3 1 UNL1111 -0.4349 5 C 8.8495 -1.1228 -0.8012 C.2 1 UNL1111 -0.0831 6 C 9.6310 0.1207 -0.5598 C.2 1 UNL1111 0.4448 7 O 10.1542 0.7376 -1.4571 O.2 1 UNL1111 -0.4184 8 C 9.7433 0.5680 0.8508 C.ar 1 UNL1111 -0.1188 9 C 10.0675 1.8880 1.1432 C.ar 1 UNL1111 -0.0957 10 C 10.1709 2.2920 2.4769 C.ar 1 UNL1111 -0.1340 11 C 9.9628 1.3763 3.5044 C.ar 1 UNL1111 -0.1367 12 C 9.6471 0.0475 3.2094 C.ar 1 UNL1111 -0.0978 13 C 9.5306 -0.3517 1.8823 C.ar 1 UNL1111 -0.1198 14 C 8.2768 -1.2528 -2.1764 C.3 1 UNL1111 -0.2571 15 C 6.9087 -0.6443 -2.1503 C.2 1 UNL1111 -0.2432 16 C 6.5828 0.5378 -2.6901 C.2 1 UNL1111 0.0596 17 C 7.5240 1.3919 -3.4666 C.3 1 UNL1111 -0.4668 18 C 5.1994 1.0893 -2.5053 C.3 1 UNL1111 -0.2911 19 C 5.2051 2.0642 -1.3094 C.3 1 UNL1111 -0.2536 20 C 3.8042 2.3712 -0.8970 C.2 1 UNL1111 -0.2297 21 C 3.1229 1.6889 0.0333 C.2 1 UNL1111 0.0342 22 C 3.6797 0.5291 0.7888 C.3 1 UNL1111 -0.4528 23 C 1.7134 2.0732 0.3793 C.3 1 UNL1111 -0.2909 24 C 0.7209 1.2349 -0.4480 C.3 1 UNL1111 -0.2569 25 C -0.6746 1.7274 -0.2611 C.2 1 UNL1111 -0.2270 26 C -1.7576 0.9450 -0.1597 C.2 1 UNL1111 0.0273 27 C -1.7071 -0.5455 -0.1952 C.3 1 UNL1111 -0.4578 28 C -3.1195 1.5566 -0.0128 C.3 1 UNL1111 -0.2857 29 C -3.8840 1.4590 -1.3468 C.3 1 UNL1111 -0.2573 30 C -5.1892 2.1748 -1.2429 C.2 1 UNL1111 -0.2332 31 C -5.3601 3.4838 -1.4710 C.2 1 UNL1111 0.0416 32 C -4.2693 4.4214 -1.8636 C.3 1 UNL1111 -0.4553 33 C -6.7194 4.1075 -1.3365 C.3 1 UNL1111 -0.2888 34 C -7.0203 4.3965 0.1470 C.3 1 UNL1111 -0.2601 35 C -8.4553 4.7758 0.3141 C.2 1 UNL1111 -0.2272 36 C -9.4530 3.8927 0.4555 C.2 1 UNL1111 0.0313 37 C -10.8705 4.3365 0.6145 C.3 1 UNL1111 -0.4569 38 C -9.2444 2.4087 0.4684 C.3 1 UNL1111 -0.2833 39 C -8.8700 1.9359 1.8879 C.3 1 UNL1111 -0.2565 40 C -8.2623 0.5751 1.8143 C.2 1 UNL1111 -0.2298 41 C -7.0009 0.2754 2.1511 C.2 1 UNL1111 0.0323 42 C -6.0184 1.2733 2.6668 C.3 1 UNL1111 -0.4548 43 C -6.4897 -1.1286 2.0028 C.3 1 UNL1111 -0.2832 44 C -5.3194 -1.1702 1.0018 C.3 1 UNL1111 -0.2578 45 C -5.1037 -2.5634 0.5172 C.2 1 UNL1111 -0.2313 46 C -5.1863 -2.9590 -0.7598 C.2 1 UNL1111 0.0325 47 C -4.9786 -4.4027 -1.1180 C.3 1 UNL1111 -0.2879 48 C -5.4884 -2.0578 -1.9085 C.3 1 UNL1111 -0.4518 49 C -6.3409 -5.1244 -1.1557 C.3 1 UNL1111 -0.2562 50 C -6.1334 -6.6004 -1.2386 C.2 1 UNL1111 -0.2393 51 C -6.0877 -7.4139 -0.1749 C.2 1 UNL1111 0.0567 52 C -5.8746 -8.8848 -0.3289 C.3 1 UNL1111 -0.4580 53 C -6.2468 -6.9333 1.2302 C.3 1 UNL1111 -0.4550 54 H 7.9510 -3.9236 0.9153 H 1 UNL1111 0.1760 55 H 6.8525 -3.1102 -0.2134 H 1 UNL1111 0.1642 56 H 8.3260 -3.8943 -0.8098 H 1 UNL1111 0.1624 57 H 10.2430 2.5978 0.3315 H 1 UNL1111 0.1731 58 H 10.4190 3.3267 2.7101 H 1 UNL1111 0.1540 59 H 10.0486 1.6925 4.5433 H 1 UNL1111 0.1543 60 H 9.4947 -0.6791 4.0109 H 1 UNL1111 0.1727 61 H 8.2238 -2.3144 -2.4998 H 1 UNL1111 0.1547 62 H 8.9359 -0.7617 -2.9282 H 1 UNL1111 0.1730 63 H 6.1728 -1.2348 -1.6080 H 1 UNL1111 0.1470 64 H 7.1738 2.4273 -3.5657 H 1 UNL1111 0.1528 65 H 8.5220 1.4404 -2.9990 H 1 UNL1111 0.1779 66 H 7.6658 0.9972 -4.4830 H 1 UNL1111 0.1575 67 H 4.4623 0.2813 -2.3247 H 1 UNL1111 0.1500 68 H 4.8446 1.6059 -3.4170 H 1 UNL1111 0.1479 69 H 5.7468 2.9913 -1.5817 H 1 UNL1111 0.1405 70 H 5.7859 1.6286 -0.4705 H 1 UNL1111 0.1488 71 H 3.3503 3.2062 -1.4261 H 1 UNL1111 0.1453 72 H 4.1929 0.8696 1.7004 H 1 UNL1111 0.1582 73 H 2.8980 -0.1769 1.0984 H 1 UNL1111 0.1514 74 H 4.4116 -0.0412 0.1997 H 1 UNL1111 0.1565 75 H 1.5424 3.1526 0.1948 H 1 UNL1111 0.1454 76 H 1.5167 1.9279 1.4596 H 1 UNL1111 0.1477 77 H 0.8232 0.1662 -0.1754 H 1 UNL1111 0.1435 78 H 0.9900 1.2918 -1.5251 H 1 UNL1111 0.1500 79 H -0.7666 2.8122 -0.2303 H 1 UNL1111 0.1444 80 H -1.1354 -0.9450 0.6550 H 1 UNL1111 0.1549 81 H -2.7043 -1.0083 -0.1542 H 1 UNL1111 0.1608 82 H -1.2262 -0.9110 -1.1133 H 1 UNL1111 0.1545 83 H -3.0557 2.6179 0.3009 H 1 UNL1111 0.1477 84 H -3.6904 1.0530 0.7923 H 1 UNL1111 0.1485 85 H -4.0403 0.3943 -1.6137 H 1 UNL1111 0.1413 86 H -3.2613 1.8713 -2.1664 H 1 UNL1111 0.1476 87 H -6.0285 1.5470 -0.9467 H 1 UNL1111 0.1466 88 H -4.3299 4.6640 -2.9345 H 1 UNL1111 0.1541 89 H -4.3333 5.3686 -1.3102 H 1 UNL1111 0.1526 90 H -3.2665 4.0121 -1.6814 H 1 UNL1111 0.1567 91 H -7.4992 3.4392 -1.7553 H 1 UNL1111 0.1503 92 H -6.7989 5.0419 -1.9235 H 1 UNL1111 0.1447 93 H -6.3533 5.1998 0.5155 H 1 UNL1111 0.1386 94 H -6.7702 3.5051 0.7607 H 1 UNL1111 0.1532 95 H -8.6461 5.8459 0.3030 H 1 UNL1111 0.1440 96 H -10.9642 5.4210 0.7536 H 1 UNL1111 0.1496 97 H -11.4670 4.0712 -0.2700 H 1 UNL1111 0.1547 98 H -11.3425 3.8570 1.4837 H 1 UNL1111 0.1549 99 H -8.4421 2.1204 -0.2431 H 1 UNL1111 0.1556 100 H -10.1465 1.8722 0.1184 H 1 UNL1111 0.1426 101 H -9.7717 1.9220 2.5321 H 1 UNL1111 0.1398 102 H -8.1888 2.6715 2.3596 H 1 UNL1111 0.1477 103 H -8.9393 -0.1902 1.4373 H 1 UNL1111 0.1457 104 H -5.1584 0.8017 3.1596 H 1 UNL1111 0.1524 105 H -5.6245 1.8910 1.8432 H 1 UNL1111 0.1615 106 H -6.4687 1.9570 3.3997 H 1 UNL1111 0.1540 107 H -7.2925 -1.8122 1.6594 H 1 UNL1111 0.1480 108 H -6.1687 -1.5261 2.9852 H 1 UNL1111 0.1438 109 H -4.3945 -0.7924 1.4861 H 1 UNL1111 0.1436 110 H -5.5236 -0.4679 0.1669 H 1 UNL1111 0.1525 111 H -4.8738 -3.2769 1.3075 H 1 UNL1111 0.1435 112 H -4.3115 -4.9052 -0.3896 H 1 UNL1111 0.1470 113 H -4.4687 -4.5055 -2.0945 H 1 UNL1111 0.1457 114 H -4.5603 -1.6880 -2.3684 H 1 UNL1111 0.1556 115 H -6.0565 -2.5725 -2.6956 H 1 UNL1111 0.1530 116 H -6.0835 -1.1812 -1.6142 H 1 UNL1111 0.1592 117 H -6.9345 -4.7646 -2.0192 H 1 UNL1111 0.1398 118 H -6.9353 -4.8479 -0.2612 H 1 UNL1111 0.1476 119 H -6.0059 -6.9827 -2.2483 H 1 UNL1111 0.1453 120 H -6.7033 -9.4537 0.1163 H 1 UNL1111 0.1552 121 H -5.7970 -9.1961 -1.3787 H 1 UNL1111 0.1507 122 H -4.9501 -9.2053 0.1718 H 1 UNL1111 0.1550 123 H -7.2780 -6.5983 1.4172 H 1 UNL1111 0.1578 124 H -6.0186 -7.7078 1.9724 H 1 UNL1111 0.1492 125 H -5.5859 -6.0794 1.4406 H 1 UNL1111 0.1578 @BOND 1 1 2 2 2 1 3 1 3 1 13 1 4 3 4 1 5 3 5 2 6 4 54 1 7 4 55 1 8 4 56 1 9 5 6 1 10 5 14 1 11 6 7 2 12 6 8 1 13 8 9 ar 14 8 13 ar 15 9 10 ar 16 9 57 1 17 10 11 ar 18 10 58 1 19 11 12 ar 20 11 59 1 21 12 13 ar 22 12 60 1 23 14 15 1 24 14 61 1 25 14 62 1 26 15 16 2 27 15 63 1 28 16 17 1 29 16 18 1 30 17 64 1 31 17 65 1 32 17 66 1 33 18 19 1 34 18 67 1 35 18 68 1 36 19 20 1 37 19 69 1 38 19 70 1 39 20 21 2 40 20 71 1 41 21 22 1 42 21 23 1 43 22 72 1 44 22 73 1 45 22 74 1 46 23 24 1 47 23 75 1 48 23 76 1 49 24 25 1 50 24 77 1 51 24 78 1 52 25 26 2 53 25 79 1 54 26 27 1 55 26 28 1 56 27 80 1 57 27 81 1 58 27 82 1 59 28 29 1 60 28 83 1 61 28 84 1 62 29 30 1 63 29 85 1 64 29 86 1 65 30 31 2 66 30 87 1 67 31 32 1 68 31 33 1 69 32 88 1 70 32 89 1 71 32 90 1 72 33 34 1 73 33 91 1 74 33 92 1 75 34 35 1 76 34 93 1 77 34 94 1 78 35 36 2 79 35 95 1 80 36 37 1 81 36 38 1 82 37 96 1 83 37 97 1 84 37 98 1 85 38 39 1 86 38 99 1 87 38 100 1 88 39 40 1 89 39 101 1 90 39 102 1 91 40 41 2 92 40 103 1 93 41 42 1 94 41 43 1 95 42 104 1 96 42 105 1 97 42 106 1 98 43 44 1 99 43 107 1 100 43 108 1 101 44 45 1 102 44 109 1 103 44 110 1 104 45 46 2 105 45 111 1 106 46 47 1 107 46 48 1 108 47 49 1 109 47 112 1 110 47 113 1 111 48 114 1 112 48 115 1 113 48 116 1 114 49 50 1 115 49 117 1 116 49 118 1 117 50 51 2 118 50 119 1 119 51 52 1 120 51 53 1 121 52 120 1 122 52 121 1 123 52 122 1 124 53 123 1 125 53 124 1 126 53 125 1