6051 -OEChem-03282420143D 26 27 0 0 0 0 0 0 0999 V2000 -0.0825 -0.0005 -0.5706 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 -0.0005 0.5226 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4426 0.0010 0.3348 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3044 -0.0008 -0.3431 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0506 0.0004 0.1068 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9862 -1.2085 -0.2314 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9853 1.2075 -0.2316 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3627 -1.2079 -0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3619 1.2082 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0760 0.0001 0.2967 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7645 -1.2079 0.1838 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7642 1.2082 0.1837 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1409 -1.2077 -0.0422 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1407 1.2083 -0.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8290 0.0002 -0.1553 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4581 -2.1542 -0.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4565 2.1528 -0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8881 -2.1556 0.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8865 2.1563 0.0797 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2374 -2.1545 0.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2369 2.1546 0.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6769 -2.1482 -0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6766 2.1487 -0.1303 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9007 0.0003 -0.3313 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9418 0.8768 0.4158 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9426 -0.8743 0.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 2 10 1 0 0 0 0 3 5 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 7 9 2 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 12 14 2 0 0 0 0 12 21 1 0 0 0 0 13 15 2 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 15 24 1 0 0 0 0 M END > 6051 > 0.6 > 1 2 > 26 1 -0.18 10 0.18 11 -0.15 12 -0.15 13 -0.15 14 -0.15 15 -0.15 16 0.15 17 0.15 18 0.15 19 0.15 2 -0.18 20 0.15 21 0.15 22 0.15 23 0.15 24 0.15 25 0.4 26 0.4 3 -0.9 4 0.18 5 0.1 6 -0.15 7 -0.15 8 -0.15 9 -0.15 > 2 > 4 1 3 cation 1 3 donor 6 10 11 12 13 14 15 rings 6 4 5 6 7 8 9 rings > 15 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 000017A300000001 > 50.748 > 20.297 > 10014705 185 18260546702274838509 11401426 45 18260828198108947111 11615757 297 17275108357391321441 12107183 9 17689433789154026440 12251169 10 18411418427498933270 12500047 106 18412258450087762051 12507557 5 18272650164237168505 13167823 11 18410291419401149611 14123238 8 18410573985156725901 15375358 24 18410578378972008455 17802600 8 18411697694736184353 17834072 33 18408887373333268932 18186145 218 17749104495984404379 18522853 276 18343865510935457913 19050596 39 18411704304801258905 200 152 18130785663957853711 20279233 1 18335428962531559907 20645477 56 18334577898320648541 20645477 70 18271246015048309742 21267235 1 18410865368654883799 21709351 56 18409162233954868604 22485316 2 18335419049694254179 23402539 116 18411130342889301101 23402655 69 18412545396678565732 23557571 272 18202007594598980165 23559900 14 18270962332574180238 26918003 58 18409728473679106451 300161 21 18410567366886455345 351380 180 18410291415021500529 3545911 37 18411702075739625517 42 15 18334577940483935124 4214541 1 18410293597186718165 42788 4 18410855464723822448 5104073 3 18410576188511898937 542803 24 17385446522349702332 573450 72 18335130973669171651 67856867 119 18264205979555731748 69090 78 18409728469674490659 77779 3 18410576188675395829 9709674 26 18411427215050123671 9971528 1 17822010917510441852 9981440 41 17178286681952592297 > 293.75 11.01 1.42 0.67 0.74 0 -0.01 0 0.46 -0.28 -0.02 0 0 0 > 632.047 > 161.7 > 2 5 10 $$$$