@MOLECULE 2,3-dimethoxy-5-methyl-6-[(2e,6e,10e,14e)-3,7,11,15,19-pentamethyl-2,6,10,14,18-icosapentaen-1-yl]-1,4-benzoquinone 88 88 0 0 0 SMALL GASTEIGER @ATOM 1 C 6.8715 0.5847 1.7466 C.2 1 UNL1111111111 -0.0653 2 C 7.1734 1.8503 1.0071 C.2 1 UNL1111111111 0.4213 3 C 6.6147 1.9292 -0.3646 C.2 1 UNL1111111111 -0.0184 4 C 6.3512 0.7906 -1.0598 C.2 1 UNL1111111111 0.0091 5 C 6.6383 -0.5234 -0.4291 C.2 1 UNL1111111111 0.4271 6 C 6.5846 -0.5326 1.0614 C.2 1 UNL1111111111 -0.0905 7 C 6.8923 0.6919 3.2243 C.3 1 UNL1111111111 -0.4341 8 C 7.0469 4.2425 -0.5632 C.3 1 UNL1111111111 -0.2105 9 C 5.5081 -0.2702 -2.9965 C.3 1 UNL1111111111 -0.2207 10 C 6.1397 -1.8287 1.6541 C.3 1 UNL1111111111 -0.2531 11 C 4.6611 -1.9268 1.4319 C.2 1 UNL1111111111 -0.2449 12 C 4.0638 -2.7922 0.6018 C.2 1 UNL1111111111 0.0577 13 C 4.7836 -3.8513 -0.1596 C.3 1 UNL1111111111 -0.4678 14 C 2.5842 -2.7066 0.3665 C.3 1 UNL1111111111 -0.2921 15 C 2.3341 -1.9123 -0.9324 C.3 1 UNL1111111111 -0.2531 16 C 0.8961 -1.5288 -1.0274 C.2 1 UNL1111111111 -0.2353 17 C 0.4407 -0.2702 -1.0863 C.2 1 UNL1111111111 0.0373 18 C 1.3164 0.9370 -1.0792 C.3 1 UNL1111111111 -0.4531 19 C -1.0355 -0.0032 -1.1589 C.3 1 UNL1111111111 -0.2899 20 C -1.5798 0.2674 0.2569 C.3 1 UNL1111111111 -0.2560 21 C -3.0703 0.3324 0.2416 C.2 1 UNL1111111111 -0.2263 22 C -3.8676 -0.2829 1.1251 C.2 1 UNL1111111111 0.0258 23 C -3.3574 -1.1217 2.2499 C.3 1 UNL1111111111 -0.4521 24 C -5.3595 -0.1620 1.0265 C.3 1 UNL1111111111 -0.2830 25 C -5.9496 -1.4333 0.3845 C.3 1 UNL1111111111 -0.2562 26 C -7.4283 -1.2812 0.2455 C.2 1 UNL1111111111 -0.2293 27 C -8.0434 -0.8499 -0.8638 C.2 1 UNL1111111111 0.0343 28 C -7.3194 -0.4864 -2.1173 C.3 1 UNL1111111111 -0.4528 29 C -9.5360 -0.6987 -0.9040 C.3 1 UNL1111111111 -0.2879 30 C -9.9178 0.7583 -0.5785 C.3 1 UNL1111111111 -0.2552 31 C -11.4020 0.9077 -0.5415 C.2 1 UNL1111111111 -0.2355 32 C -12.0951 1.4231 0.4823 C.2 1 UNL1111111111 0.0520 33 C -11.4640 1.9201 1.7414 C.3 1 UNL1111111111 -0.4549 34 C -13.5843 1.5416 0.4261 C.3 1 UNL1111111111 -0.4574 35 O 7.8165 2.7400 1.5069 O.2 1 UNL1111111111 -0.4070 36 O 6.2742 3.1058 -0.9449 O.2 1 UNL1111111111 -0.2440 37 O 5.8503 0.9312 -2.3074 O.2 1 UNL1111111111 -0.2243 38 O 6.9284 -1.5036 -1.0692 O.2 1 UNL1111111111 -0.4065 39 H 7.3675 -0.1784 3.7010 H 1 UNL1111111111 0.1609 40 H 7.4473 1.5816 3.5701 H 1 UNL1111111111 0.1767 41 H 5.8722 0.7729 3.6334 H 1 UNL1111111111 0.1669 42 H 6.7627 4.5754 0.4407 H 1 UNL1111111111 0.1441 43 H 8.1211 4.0442 -0.6147 H 1 UNL1111111111 0.1448 44 H 6.7490 4.9793 -1.3201 H 1 UNL1111111111 0.1457 45 H 6.4095 -0.8368 -3.2565 H 1 UNL1111111111 0.1545 46 H 4.8127 -0.8870 -2.4206 H 1 UNL1111111111 0.1381 47 H 5.0218 0.1246 -3.8980 H 1 UNL1111111111 0.1507 48 H 6.6902 -2.6774 1.1882 H 1 UNL1111111111 0.1703 49 H 6.3722 -1.8962 2.7376 H 1 UNL1111111111 0.1550 50 H 4.0830 -1.1878 1.9847 H 1 UNL1111111111 0.1525 51 H 5.1092 -4.6635 0.5057 H 1 UNL1111111111 0.1567 52 H 4.1661 -4.3053 -0.9450 H 1 UNL1111111111 0.1531 53 H 5.6871 -3.4583 -0.6559 H 1 UNL1111111111 0.1775 54 H 2.1275 -3.7116 0.2976 H 1 UNL1111111111 0.1469 55 H 2.0683 -2.2082 1.2117 H 1 UNL1111111111 0.1513 56 H 2.9986 -1.0248 -0.9563 H 1 UNL1111111111 0.1482 57 H 2.6252 -2.5222 -1.8116 H 1 UNL1111111111 0.1416 58 H 0.2094 -2.3738 -1.0385 H 1 UNL1111111111 0.1459 59 H 2.1510 0.8423 -0.3691 H 1 UNL1111111111 0.1592 60 H 1.7569 1.1097 -2.0726 H 1 UNL1111111111 0.1594 61 H 0.7719 1.8499 -0.8049 H 1 UNL1111111111 0.1525 62 H -1.2509 0.8552 -1.8237 H 1 UNL1111111111 0.1457 63 H -1.5761 -0.8619 -1.6053 H 1 UNL1111111111 0.1482 64 H -1.2068 -0.5155 0.9476 H 1 UNL1111111111 0.1470 65 H -1.1659 1.2209 0.6464 H 1 UNL1111111111 0.1457 66 H -3.4855 0.9392 -0.5611 H 1 UNL1111111111 0.1461 67 H -2.6882 -1.9161 1.8881 H 1 UNL1111111111 0.1567 68 H -2.7884 -0.5152 2.9690 H 1 UNL1111111111 0.1549 69 H -4.1626 -1.6144 2.8099 H 1 UNL1111111111 0.1504 70 H -5.8075 0.0007 2.0264 H 1 UNL1111111111 0.1470 71 H -5.6553 0.7237 0.4296 H 1 UNL1111111111 0.1471 72 H -5.4616 -1.6200 -0.5928 H 1 UNL1111111111 0.1461 73 H -5.7050 -2.3192 1.0035 H 1 UNL1111111111 0.1407 74 H -7.9935 -1.5344 1.1399 H 1 UNL1111111111 0.1455 75 H -6.4111 0.0982 -1.9110 H 1 UNL1111111111 0.1571 76 H -7.0082 -1.3892 -2.6635 H 1 UNL1111111111 0.1561 77 H -7.9361 0.1109 -2.8011 H 1 UNL1111111111 0.1508 78 H -9.9361 -0.9878 -1.8949 H 1 UNL1111111111 0.1455 79 H -10.0290 -1.3797 -0.1819 H 1 UNL1111111111 0.1483 80 H -9.4434 1.0561 0.3775 H 1 UNL1111111111 0.1465 81 H -9.4905 1.4415 -1.3419 H 1 UNL1111111111 0.1451 82 H -11.9067 0.5591 -1.4409 H 1 UNL1111111111 0.1458 83 H -10.8220 1.1531 2.1991 H 1 UNL1111111111 0.1582 84 H -10.8343 2.8006 1.5474 H 1 UNL1111111111 0.1567 85 H -12.2014 2.2128 2.4989 H 1 UNL1111111111 0.1487 86 H -14.0037 1.1935 -0.5267 H 1 UNL1111111111 0.1504 87 H -14.0577 0.9498 1.2224 H 1 UNL1111111111 0.1550 88 H -13.9040 2.5849 0.5576 H 1 UNL1111111111 0.1545 @BOND 1 1 2 1 2 1 6 2 3 1 7 1 4 2 3 1 5 2 35 2 6 3 4 2 7 3 36 1 8 4 5 1 9 4 37 1 10 5 6 1 11 5 38 2 12 6 10 1 13 7 39 1 14 7 40 1 15 7 41 1 16 8 36 1 17 8 42 1 18 8 43 1 19 8 44 1 20 9 37 1 21 9 45 1 22 9 46 1 23 9 47 1 24 10 11 1 25 10 48 1 26 10 49 1 27 11 12 2 28 11 50 1 29 12 13 1 30 12 14 1 31 13 51 1 32 13 52 1 33 13 53 1 34 14 15 1 35 14 54 1 36 14 55 1 37 15 16 1 38 15 56 1 39 15 57 1 40 16 17 2 41 16 58 1 42 17 18 1 43 17 19 1 44 18 59 1 45 18 60 1 46 18 61 1 47 19 20 1 48 19 62 1 49 19 63 1 50 20 21 1 51 20 64 1 52 20 65 1 53 21 22 2 54 21 66 1 55 22 23 1 56 22 24 1 57 23 67 1 58 23 68 1 59 23 69 1 60 24 25 1 61 24 70 1 62 24 71 1 63 25 26 1 64 25 72 1 65 25 73 1 66 26 27 2 67 26 74 1 68 27 28 1 69 27 29 1 70 28 75 1 71 28 76 1 72 28 77 1 73 29 30 1 74 29 78 1 75 29 79 1 76 30 31 1 77 30 80 1 78 30 81 1 79 31 32 2 80 31 82 1 81 32 33 1 82 32 34 1 83 33 83 1 84 33 84 1 85 33 85 1 86 34 86 1 87 34 87 1 88 34 88 1