62309684 -OEChem-04262407093D 40 42 0 1 0 0 0 0 0999 V2000 2.6311 -1.4265 -0.9803 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.7175 2.4795 -0.9651 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2032 1.6611 1.0982 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2847 -0.3598 0.0445 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 -1.2195 0.2031 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5046 -0.1105 1.2344 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1810 0.6073 0.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8557 -1.6495 -0.5102 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9585 0.0704 0.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6326 -2.1868 0.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4500 0.1524 -0.6737 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6351 -1.7319 0.9232 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5945 -0.8470 -0.5758 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9018 -1.0278 0.5146 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8388 1.4780 -0.0545 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8784 -0.2780 -0.6666 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6403 0.3293 0.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9876 0.0612 -1.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5460 1.3104 1.0286 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8684 1.0351 -0.9809 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6524 1.6529 0.2459 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9012 0.8410 -1.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4512 1.5511 0.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6321 -2.4135 -0.4006 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6240 -1.5616 -1.5804 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1576 0.8133 0.6644 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1975 -0.0201 1.8256 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9081 -2.4244 1.2775 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3225 -3.1236 -0.2383 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2204 0.3133 -1.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7735 -2.8018 0.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5027 -1.6574 2.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7335 -1.2146 0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5384 -0.3701 -0.8665 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4600 -1.7039 -1.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9580 3.3507 -0.5839 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1626 -0.4170 -2.4169 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3867 1.7994 1.9854 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7333 1.3124 -1.5779 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3482 2.4082 0.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 16 1 0 0 0 0 2 15 1 0 0 0 0 2 36 1 0 0 0 0 3 15 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 6 14 2 0 0 0 0 6 17 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 11 30 1 0 0 0 0 12 14 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 17 19 2 0 0 0 0 18 20 1 0 0 0 0 18 37 1 0 0 0 0 19 21 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 M END > 62309684 > 0.8 > 1 89 16 44 54 39 64 81 63 52 91 72 88 58 33 65 93 98 90 51 47 83 74 11 78 55 99 69 87 45 36 53 26 5 85 32 92 48 20 40 80 56 25 46 28 50 21 42 61 17 15 59 34 62 60 84 73 35 57 24 77 7 49 76 27 66 30 19 18 43 82 38 79 71 4 41 96 37 14 13 86 97 6 3 23 29 95 8 10 12 70 75 68 31 67 22 9 2 94 > 25 1 -0.08 10 0.27 11 0.33 12 0.45 14 0.2 15 0.66 16 0.04 17 0.23 18 -0.15 19 -0.15 2 -0.65 20 -0.15 21 -0.15 3 -0.57 36 0.5 37 0.15 38 0.15 39 0.15 4 -0.81 40 0.15 5 -0.81 6 -0.57 7 0.27 8 0.27 9 0.27 > 5.2 > 9 1 2 acceptor 1 3 acceptor 1 4 cation 1 5 cation 1 6 acceptor 3 2 3 15 anion 5 1 6 14 16 17 rings 6 16 17 18 19 20 21 rings 6 4 5 7 8 9 10 rings > 21 > 0 > 1 > 0 > 0 > 0 > 1 > 1 > 03B6C53400000001 > 41.2544 > 45.802 > 10378564 45 18130793309368938582 10498660 4 18412544288703746880 10670039 82 18186806842540458316 10692045 39 17313654954992865562 11069576 57 15553617179917856748 11796584 16 10375606875312954342 12236239 1 17240758532203778146 12390115 104 18342746187366993377 12596602 18 12973605542875259940 12633257 1 14273747273579555810 12670543 26 17988931054725017158 12730499 353 18272097105984014490 12892183 10 13190326968606712182 14123256 34 10447927312654351196 1420 369 10087638204187179364 14251751 18 8358258141910277868 14251764 38 18119530096679781532 14341114 328 16226053296723372560 14528608 73 18343861125763006780 14790565 3 17912090452179231409 14848178 5 10519979357530943169 15183329 4 17632302241651729306 15188451 53 10953748828440724017 15210252 30 18410294735691389720 15348495 7 11891336460614098079 15575132 122 18260828147113282589 17959699 21 18411418401639341706 18222031 100 12103846756948578434 19377110 9 16877667889594737971 193927 3 10447923996759756831 200 152 15267350621284943034 20281389 69 18259698999683214376 20374829 77 10592045760604733067 20645477 56 18411703205416472123 20645477 70 17060347318559900294 21065199 12 11891324370692810902 21637258 2 12751245770667404132 22061861 79 16415483752705106060 221357 26 17561367292236354680 22289505 5 18060139851920265104 22393880 68 17560795571901939510 23402655 69 18201719552780505402 23557571 272 18269283515604779422 23559900 14 18058445396484764302 26918003 58 11891327651810461287 2767999 5 17967809470472501196 2838139 119 18410285926443744924 2916195 48 18409165532231171624 3004659 81 18340769239706869922 312425 54 11242238641522225813 316301 35 9511472108743287412 3472631 163 18261675960481850164 34797466 226 17775290516277175540 351380 3 12607408801286800967 3680242 22 18040995125097369736 4028521 119 18342459252964830706 4259306 186 14476969982082386126 465052 167 11959727221938401461 474 4 17675927616189231250 5104073 3 18186802452656718131 5283173 99 18343865506645849809 542803 24 18040716969792372306 543368 44 18410009953504776205 59682541 52 17203048478668266572 59755656 520 17458345251837576786 7808743 9 18334010613974702498 7970288 3 11312058738225421620 960060 61 16056876914472375984 > 409.34 15.25 2.13 1.18 0.8 0.21 0.07 8.76 3.45 1.64 -0.01 -0.85 0.07 0.32 > 855.308 > 234.3 > 2 5 10 $$$$