6931337 -OEChem-03282421133D 33 34 0 1 0 0 0 0 0999 V2000 -0.3411 -2.2235 -1.3884 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0459 -3.1219 0.6889 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2243 0.0192 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3249 1.4011 0.5463 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5182 -0.7798 0.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5503 2.1708 0.0587 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -0.0064 -0.3954 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0224 -0.7517 0.4288 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8334 1.3698 0.2563 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2738 0.0003 0.2011 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1322 -2.1739 -0.1409 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4391 0.7184 -0.9693 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2601 -0.0493 1.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6317 1.4108 -1.1786 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4528 0.6430 0.9599 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6385 1.3730 -0.2141 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1468 0.1554 -1.1996 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3903 1.2863 1.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4475 2.0243 0.3516 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4771 -1.7328 -0.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6449 -1.0208 1.1546 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6257 3.1226 0.5966 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4301 2.4130 -1.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6921 0.1080 -1.4853 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6502 -0.5786 -0.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1655 -0.8537 1.5155 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6814 1.9216 -0.1646 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0289 1.2529 1.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7028 0.7520 -1.7632 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1262 -0.6164 2.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7802 1.9732 -2.0959 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2372 0.6129 1.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5679 1.9105 -0.3779 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 11 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 17 1 0 0 0 0 4 6 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 9 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 13 15 2 0 0 0 0 13 30 1 0 0 0 0 14 16 2 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 M CHG 1 1 -1 M END > 6931337 > 0.6 > 1 4 8 9 3 6 2 5 7 > 15 1 -0.9 10 -0.14 11 0.91 12 -0.15 13 -0.15 14 -0.15 15 -0.15 16 -0.15 2 -0.9 29 0.15 30 0.15 31 0.15 32 0.15 33 0.15 8 0.04 > 4.2 > 5 1 1 acceptor 1 2 acceptor 3 1 2 11 anion 6 10 12 13 14 15 16 rings 6 3 4 5 6 7 9 rings > 16 > 1 > 0 > 0 > 0 > 0 > 1 > 1 > 0069C38900000001 > 36.6229 > 25.427 > 1 1 18337668607550815799 10608611 8 18115585920700252901 10922049 32 18411425007283380999 11543360 7 15267053783373731992 12119455 92 18334570235465742825 12532896 13 18409725205378000446 12592029 89 18336826390386933067 12730499 353 18262800645456610789 13380535 21 18266751357916875812 13464514 151 17831297203255000853 13583140 156 16878485934577547408 15219456 202 18042691594076213579 15279308 100 18410577305688821724 15309172 13 18409732858898841801 15490181 7 18335131007765412474 15775835 57 18410855464428520909 16945 1 18264480685626521419 1813 80 16766773087768532919 18175812 5 18113342998541491029 18186145 218 18272656727194934372 18219364 16 18409738347861849545 19049666 15 17682116578337611685 20645477 56 18337107986008057280 21069387 34 16200443450883947812 21486144 27 18272091638569456276 21501502 16 18195243554084222772 21524375 3 18412825806577298307 21639500 275 18340758243936068221 21731228 192 18409172133664516419 22079108 93 17988367069779326153 23402539 116 17775001263405023800 23419403 2 17196067756416025479 23557571 272 17096381553265728549 23559900 14 17023469612179578890 238 59 17975941359655909629 25 1 18343023255100810932 2748010 2 18408329899099113973 3060560 45 18341323384196073932 633830 44 18059305261726834141 69090 78 18339640143547273866 7364860 26 18120089477245925683 74978 22 18200874105774946040 77492 1 17203041877171689241 81228 2 17833538373087633219 81539 233 18262236599616447255 8272917 22 18056204575044629305 > 317.53 6.16 2.52 1.07 1.21 1.71 0.11 -3.91 -0.28 0.48 0.13 -0.68 0.05 0.43 > 664.923 > 177.4 > 2 5 10 $$$$