5601 -OEChem-03282406403D 19 19 0 0 0 0 0 0 0999 V2000 -3.4350 -1.0935 0.0216 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6495 1.7614 0.0215 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8158 0.2793 -1.0707 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7856 0.2497 1.1079 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6060 -1.9220 0.0371 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9634 -1.6777 -0.0693 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4628 0.2174 -0.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7533 -0.6995 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0872 -0.0735 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8213 -0.4575 -0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3719 1.2451 -0.0193 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0151 0.4551 0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7816 1.4518 -0.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4786 0.2639 0.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4104 0.8311 -0.9258 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4149 0.8576 0.8686 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6470 2.0484 -0.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2602 2.4224 -0.0258 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5510 0.1282 0.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 14 1 0 0 0 0 2 12 1 0 0 0 0 3 12 1 0 0 0 0 4 12 1 0 0 0 0 5 8 2 0 0 0 0 6 10 2 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 9 11 2 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 19 1 0 0 0 0 M END > 5601 > 0.6 > 1 94 88 75 91 13 28 2 40 68 36 49 92 57 56 32 33 31 83 42 59 9 78 52 24 81 6 79 37 90 65 67 48 89 30 23 62 93 70 3 85 34 41 86 84 47 25 44 76 35 69 11 82 27 50 45 8 29 53 80 21 58 10 19 15 7 71 22 14 87 43 66 54 12 63 55 17 72 16 73 46 4 26 51 38 60 77 74 20 61 64 39 18 5 > 17 1 -0.08 10 0.45 11 -0.15 12 1.08 13 -0.15 14 -0.11 17 0.15 18 0.15 19 0.15 2 -0.34 3 -0.34 4 -0.34 5 -0.57 6 -0.57 7 0.12 8 0.59 9 -0.05 > 4 > 4 1 5 acceptor 1 6 acceptor 1 7 anion 5 1 9 11 13 14 rings > 14 > 0 > 0 > 0 > 0 > 0 > 1 > 3 > 000015E100000001 > 16.3614 > 20.31 > 10608611 8 18337951191072174421 10980938 120 18336546023364013378 11132069 177 18408038498906695445 11543360 7 15625928872484044573 12162725 195 18335138708667959473 12932764 1 17417801855589696295 13081056 2 18342741827405754701 13380535 76 18410572898541043243 14144814 61 18408884031611238273 14325111 11 18410575059283697743 14415576 193 18410298029445268340 14897335 6 18411976953630946663 15442244 35 18122907525347325642 15536298 74 18342176613798950598 15775835 57 18410014312590412053 17802600 8 18410003347344168273 18186145 218 18130796620203141521 19050596 39 18334292071977265875 20645477 56 18130784615748508768 20645477 70 18058732390531016743 21524375 3 18408319977893731675 23048698 100 16732982028897724896 23402539 116 18342164587958807941 23402655 69 18272370845523749445 23557571 272 18201452405983454167 23559900 14 18272370845898263190 3545911 37 18411984637395718679 474 4 16807302542715418052 4990 188 17988652869445335830 5104073 3 18409729568848210490 58051976 378 18343299258436899287 69090 78 18272365391100010295 7364860 26 18268146448804196034 9709674 26 18411423925062957423 > 258.4 8.24 1.61 0.71 0.68 0.16 -0.01 -2.14 -0.03 -0.34 0 0.38 -0.04 0.03 > 527.933 > 150.1 > 2 5 10 $$$$