@MOLECULE (2z,6z,10z,14z,18z,22z,26z)-3,7,11,15,19,23,27,31-octamethyl-2,6,10,14,18,22,26,30-dotriacontaoctaen-1-yl trihydrogen diphosphate 117 116 0 0 0 SMALL GASTEIGER @ATOM 1 C 16.7278 0.0333 -0.4085 C.3 1 UNL111111111 -0.4565 2 O -10.8975 1.1831 0.6209 O.3 1 UNL111111111 -0.3215 3 P -11.0392 0.9309 -0.9547 P.3 1 UNL111111111 0.3476 4 C 15.9408 0.3759 0.8136 C.2 1 UNL111111111 0.0582 5 O -11.4135 2.0652 -1.7726 O.2 1 UNL111111111 -0.1562 6 P -12.9100 -1.3409 -0.2665 P.3 1 UNL111111111 0.3640 7 C 16.7528 0.6794 2.0309 C.3 1 UNL111111111 -0.4582 8 O -9.7350 0.1897 -1.4717 O.3 1 UNL111111111 -0.3497 9 C 14.6021 0.4211 0.8409 C.2 1 UNL111111111 -0.2377 10 O -12.2770 -0.0782 -0.9934 O.3 1 UNL111111111 -0.1196 11 C 13.7233 0.1258 -0.3290 C.3 1 UNL111111111 -0.2573 12 O -11.6301 -2.2185 0.1375 O.3 1 UNL111111111 -0.4340 13 C 13.2600 -1.3433 -0.2747 C.3 1 UNL111111111 -0.2810 14 O -13.4867 -0.8650 1.1318 O.3 1 UNL111111111 -0.3357 15 C 12.3936 -1.6558 -1.4565 C.2 1 UNL111111111 0.0309 16 O -13.9183 -1.9292 -1.1262 O.2 1 UNL111111111 -0.2111 17 C 13.0990 -2.3222 -2.5942 C.3 1 UNL111111111 -0.4564 18 C 11.0870 -1.3695 -1.5255 C.2 1 UNL111111111 -0.2236 19 C 10.3023 -0.6903 -0.4536 C.3 1 UNL111111111 -0.2600 20 C 9.9474 0.7428 -0.8971 C.3 1 UNL111111111 -0.2808 21 C 9.3329 1.4906 0.2471 C.2 1 UNL111111111 0.0328 22 C 10.2848 2.3532 1.0122 C.3 1 UNL111111111 -0.4567 23 C 8.0418 1.4058 0.5928 C.2 1 UNL111111111 -0.2261 24 C 7.0263 0.5578 -0.0972 C.3 1 UNL111111111 -0.2599 25 C 6.6653 -0.6516 0.7886 C.3 1 UNL111111111 -0.2813 26 C 5.8493 -1.6332 0.0034 C.2 1 UNL111111111 0.0326 27 C 6.6265 -2.7750 -0.5697 C.3 1 UNL111111111 -0.4570 28 C 4.5306 -1.5208 -0.2022 C.2 1 UNL111111111 -0.2261 29 C 3.6773 -0.4083 0.3084 C.3 1 UNL111111111 -0.2602 30 C 3.2739 0.5153 -0.8581 C.3 1 UNL111111111 -0.2814 31 C 2.6026 1.7463 -0.3294 C.2 1 UNL111111111 0.0336 32 C 3.4934 2.9408 -0.2077 C.3 1 UNL111111111 -0.4571 33 C 1.3127 1.8047 0.0263 C.2 1 UNL111111111 -0.2265 34 C 0.3563 0.6613 -0.0377 C.3 1 UNL111111111 -0.2601 35 C 0.0568 0.1539 1.3870 C.3 1 UNL111111111 -0.2820 36 C -0.7273 -1.1214 1.3223 C.2 1 UNL111111111 0.0348 37 C 0.0907 -2.3651 1.4595 C.3 1 UNL111111111 -0.4570 38 C -2.0537 -1.1780 1.1445 C.2 1 UNL111111111 -0.2281 39 C -2.9440 0.0090 0.9789 C.3 1 UNL111111111 -0.2576 40 C -3.3957 0.1206 -0.4911 C.3 1 UNL111111111 -0.2820 41 C -4.0411 1.4499 -0.7374 C.2 1 UNL111111111 0.0289 42 C -3.0913 2.5527 -1.0829 C.3 1 UNL111111111 -0.4560 43 C -5.3594 1.6747 -0.6657 C.2 1 UNL111111111 -0.2254 44 C -6.3918 0.6485 -0.3352 C.3 1 UNL111111111 -0.2597 45 C -6.6755 0.6665 1.1794 C.3 1 UNL111111111 -0.2926 46 C -7.7331 -0.3393 1.5156 C.2 1 UNL111111111 0.0508 47 C -7.2203 -1.7139 1.8032 C.3 1 UNL111111111 -0.4649 48 C -9.0422 -0.0644 1.5704 C.2 1 UNL111111111 -0.2806 49 C -9.6409 1.2811 1.3097 C.3 1 UNL111111111 0.0057 50 H 17.7824 -0.1735 -0.1888 H 1 UNL111111111 0.1494 51 H 16.3248 -0.8559 -0.9143 H 1 UNL111111111 0.1567 52 H 16.7045 0.8599 -1.1341 H 1 UNL111111111 0.1572 53 H 17.4455 1.5130 1.8478 H 1 UNL111111111 0.1547 54 H 16.1365 0.9553 2.8964 H 1 UNL111111111 0.1511 55 H 17.3567 -0.1892 2.3299 H 1 UNL111111111 0.1549 56 H -9.6060 -0.6807 -0.9398 H 1 UNL111111111 0.3272 57 H 14.0656 0.6710 1.7533 H 1 UNL111111111 0.1454 58 H 12.8394 0.7968 -0.3299 H 1 UNL111111111 0.1468 59 H 14.2367 0.3234 -1.2900 H 1 UNL111111111 0.1426 60 H -11.8706 -3.2039 0.1118 H 1 UNL111111111 0.3199 61 H 14.1446 -2.0093 -0.2378 H 1 UNL111111111 0.1452 62 H 12.7210 -1.5336 0.6754 H 1 UNL111111111 0.1490 63 H -12.7828 -0.2868 1.6081 H 1 UNL111111111 0.3259 64 H 13.4420 -3.3275 -2.3113 H 1 UNL111111111 0.1543 65 H 12.4636 -2.4360 -3.4815 H 1 UNL111111111 0.1503 66 H 13.9844 -1.7484 -2.9019 H 1 UNL111111111 0.1535 67 H 10.5053 -1.6156 -2.4123 H 1 UNL111111111 0.1443 68 H 9.3724 -1.2567 -0.2378 H 1 UNL111111111 0.1464 69 H 10.8516 -0.6568 0.5083 H 1 UNL111111111 0.1472 70 H 10.8586 1.2555 -1.2653 H 1 UNL111111111 0.1474 71 H 9.2659 0.7114 -1.7698 H 1 UNL111111111 0.1464 72 H 10.6404 3.1917 0.3965 H 1 UNL111111111 0.1551 73 H 9.8374 2.7835 1.9167 H 1 UNL111111111 0.1492 74 H 11.1705 1.7831 1.3292 H 1 UNL111111111 0.1572 75 H 7.6505 1.9645 1.4411 H 1 UNL111111111 0.1438 76 H 6.1123 1.1485 -0.3143 H 1 UNL111111111 0.1453 77 H 7.3829 0.2021 -1.0844 H 1 UNL111111111 0.1468 78 H 7.5931 -1.1214 1.1727 H 1 UNL111111111 0.1481 79 H 6.1233 -0.3111 1.6927 H 1 UNL111111111 0.1461 80 H 7.0552 -3.4014 0.2256 H 1 UNL111111111 0.1549 81 H 6.0171 -3.4310 -1.2034 H 1 UNL111111111 0.1494 82 H 7.4619 -2.4139 -1.1873 H 1 UNL111111111 0.1575 83 H 3.9899 -2.2596 -0.7904 H 1 UNL111111111 0.1438 84 H 2.7675 -0.8131 0.7984 H 1 UNL111111111 0.1453 85 H 4.1899 0.1834 1.0926 H 1 UNL111111111 0.1465 86 H 4.1723 0.7754 -1.4534 H 1 UNL111111111 0.1482 87 H 2.6140 -0.0295 -1.5619 H 1 UNL111111111 0.1465 88 H 3.8543 3.2684 -1.1930 H 1 UNL111111111 0.1553 89 H 2.9928 3.8011 0.2543 H 1 UNL111111111 0.1495 90 H 4.3781 2.7141 0.4052 H 1 UNL111111111 0.1572 91 H 0.8778 2.7255 0.4116 H 1 UNL111111111 0.1436 92 H -0.5879 0.9735 -0.5307 H 1 UNL111111111 0.1461 93 H 0.7443 -0.1719 -0.6565 H 1 UNL111111111 0.1469 94 H 1.0081 0.0100 1.9381 H 1 UNL111111111 0.1489 95 H -0.4884 0.9309 1.9584 H 1 UNL111111111 0.1456 96 H 0.5673 -2.4190 2.4489 H 1 UNL111111111 0.1556 97 H -0.4999 -3.2814 1.3359 H 1 UNL111111111 0.1491 98 H 0.8942 -2.3946 0.7085 H 1 UNL111111111 0.1585 99 H -2.5733 -2.1329 1.0950 H 1 UNL111111111 0.1433 100 H -3.8308 -0.0799 1.6387 H 1 UNL111111111 0.1385 101 H -2.4439 0.9476 1.2905 H 1 UNL111111111 0.1473 102 H -2.5225 -0.0189 -1.1611 H 1 UNL111111111 0.1512 103 H -4.0802 -0.7152 -0.7352 H 1 UNL111111111 0.1441 104 H -2.5983 2.3608 -2.0470 H 1 UNL111111111 0.1572 105 H -3.5838 3.5301 -1.1628 H 1 UNL111111111 0.1504 106 H -2.2996 2.6512 -0.3264 H 1 UNL111111111 0.1564 107 H -5.7671 2.6682 -0.8493 H 1 UNL111111111 0.1473 108 H -7.3296 0.8490 -0.8990 H 1 UNL111111111 0.1644 109 H -6.0779 -0.3661 -0.6495 H 1 UNL111111111 0.1407 110 H -5.7385 0.4550 1.7346 H 1 UNL111111111 0.1496 111 H -6.9642 1.6880 1.4942 H 1 UNL111111111 0.1469 112 H -6.7187 -1.7494 2.7812 H 1 UNL111111111 0.1571 113 H -8.0162 -2.4698 1.8201 H 1 UNL111111111 0.1538 114 H -6.4843 -2.0350 1.0521 H 1 UNL111111111 0.1582 115 H -9.7712 -0.8368 1.8246 H 1 UNL111111111 0.1675 116 H -8.9381 1.9931 0.8320 H 1 UNL111111111 0.1334 117 H -10.0053 1.7423 2.2607 H 1 UNL111111111 0.1346 @BOND 1 1 50 1 2 1 51 1 3 1 52 1 4 2 3 1 5 3 8 1 6 3 10 1 7 4 1 1 8 5 3 2 9 6 12 1 10 6 14 1 11 7 4 1 12 7 53 1 13 7 54 1 14 7 55 1 15 8 56 1 16 9 4 2 17 9 11 1 18 9 57 1 19 10 6 1 20 11 13 1 21 11 58 1 22 11 59 1 23 12 60 1 24 13 61 1 25 13 62 1 26 14 63 1 27 15 13 1 28 15 18 2 29 16 6 2 30 17 15 1 31 17 64 1 32 17 65 1 33 17 66 1 34 18 19 1 35 18 67 1 36 19 68 1 37 19 69 1 38 20 19 1 39 20 70 1 40 20 71 1 41 21 20 1 42 21 23 2 43 22 21 1 44 22 72 1 45 22 73 1 46 22 74 1 47 23 24 1 48 23 75 1 49 24 25 1 50 24 76 1 51 24 77 1 52 25 26 1 53 25 78 1 54 25 79 1 55 26 28 2 56 27 26 1 57 27 80 1 58 27 81 1 59 27 82 1 60 28 29 1 61 28 83 1 62 29 30 1 63 29 84 1 64 29 85 1 65 30 86 1 66 30 87 1 67 31 30 1 68 31 33 2 69 32 31 1 70 32 88 1 71 32 89 1 72 32 90 1 73 33 34 1 74 33 91 1 75 34 35 1 76 34 92 1 77 34 93 1 78 35 36 1 79 35 94 1 80 35 95 1 81 36 38 2 82 36 37 1 83 37 96 1 84 37 97 1 85 37 98 1 86 38 99 1 87 39 38 1 88 39 40 1 89 39 100 1 90 39 101 1 91 40 102 1 92 40 103 1 93 41 40 1 94 41 43 2 95 42 41 1 96 42 104 1 97 42 105 1 98 42 106 1 99 43 44 1 100 43 107 1 101 44 45 1 102 44 108 1 103 44 109 1 104 45 46 1 105 45 110 1 106 45 111 1 107 46 47 1 108 46 48 2 109 47 112 1 110 47 113 1 111 47 114 1 112 48 115 1 113 49 2 1 114 49 48 1 115 49 116 1 116 49 117 1