10800 -OEChem-03282418493D 20 20 0 0 0 0 0 0 0999 V2000 2.4634 1.4194 0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8488 -2.5995 0.0002 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2459 -0.9063 -0.0003 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6931 0.1907 0.0001 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.8965 -1.8549 -0.0003 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0802 -1.3674 0.0001 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.7283 -0.6115 0.0001 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1060 1.7889 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1944 0.9166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9831 -0.4621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4050 -0.0962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1938 1.2826 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3166 -0.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3113 3.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0296 1.9785 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4847 -2.0430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8576 3.5824 0.8956 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8580 3.5824 -0.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6413 3.8097 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4618 2.3887 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 20 1 0 0 0 0 2 6 1 0 0 0 0 3 6 2 0 0 0 0 4 7 1 0 0 0 0 5 7 2 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 8 14 1 0 0 0 0 9 10 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 M CHG 4 2 -1 4 -1 6 1 7 1 M END > 10800 > 0.6 > 1 > 17 1 -0.53 10 0.13 11 0.13 12 -0.15 13 -0.15 14 0.14 15 0.15 16 0.15 2 -0.52 20 0.45 3 -0.52 4 -0.52 5 -0.52 6 0.91 7 0.91 8 -0.14 9 0.08 > 2 > 8 1 1 donor 1 2 acceptor 1 2 anion 1 3 acceptor 1 4 acceptor 1 4 anion 1 5 acceptor 6 8 9 10 11 12 13 rings > 14 > 0 > 0 > 0 > 0 > 0 > 1 > 6 > 00002A3000000001 > 47.7497 > 40.76 > 1 1 17977947109261704693 10967382 1 18410573985262292391 11471102 20 18410006680591828261 12423570 1 10784421773845924260 13380535 76 17332805453376567292 14251717 144 18267015248933668335 14648413 74 18263644142277979769 15442244 35 18340772555273656673 161256 15 18411979135595606836 16945 1 18266459999877675073 17990270 104 18336825415518858459 193761 8 18194682566609420608 20201158 50 18408039598080946955 20588541 1 18261957473802192056 20645477 70 18047460403993163863 20711985 365 18120653526552459365 20871998 184 17913200971163894022 20871998 22 18270407079017563190 21501502 16 18338804386114658120 2334 1 18410855460207510433 23463225 33 18410857637687143404 23526114 1 18338797926225148374 23530152 11 17545604916556856783 23552423 10 18334581239008275485 23559900 14 17046262295831757198 241688 4 18337954467689272352 2748010 2 18411411782963168612 3071541 158 18260546731801676029 63268167 104 18410861001015983401 7364860 26 18268429216560365833 81228 2 18048603624769518128 > 248.8 4.29 2.91 0.57 1.97 1.25 0 -2.16 0 -1.07 0 0 0.05 0 > 528.78 > 140.3 > 2 5 10 $$$$