5328833 -OEChem-04262417303D 60 64 0 0 0 0 0 0 0999 V2000 0.0538 5.1771 -2.1375 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8054 -4.0734 -0.5838 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1689 -1.7238 0.0005 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3043 -0.7645 0.0323 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4279 -0.6893 0.1039 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6408 -1.8101 -0.1244 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5646 0.5333 0.4316 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5487 1.7549 0.7594 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5297 -1.9355 0.4423 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5725 0.4454 -0.3429 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1418 -1.9282 -0.2043 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2201 0.5108 0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6959 -0.8005 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0364 -0.6524 0.1387 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4324 -1.6243 0.8829 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4317 -0.0150 -0.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9848 -1.7820 -0.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6866 -0.6015 0.2019 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9107 0.5264 0.4554 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8264 -1.6607 0.8498 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8257 -0.0512 -0.9519 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7270 -2.9317 -0.3517 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0919 -0.5840 0.2326 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5231 -0.8740 -0.0675 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1247 -2.9225 -0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8082 -1.7474 -0.0307 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1829 3.0920 0.5385 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3911 3.4339 -0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6074 4.0918 1.4191 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0269 4.7627 -0.7798 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2436 5.4206 1.2011 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1057 -4.9147 0.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8409 -1.4184 -1.2204 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4532 5.7561 0.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0344 -2.8627 0.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4331 -1.9405 1.5351 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1389 1.3451 -0.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4223 0.4548 -1.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6014 -2.8064 0.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2293 -2.0289 -1.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7080 1.4159 0.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3668 0.6076 1.4547 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9229 -2.2410 1.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9206 0.6280 -1.6321 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3699 -2.2992 1.5401 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3683 0.5590 -1.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2085 -3.8610 -0.5835 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6497 0.3229 0.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6085 -0.9023 -0.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3029 1.6515 1.4329 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0638 2.6695 -1.2633 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2227 3.8454 2.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5753 6.1941 1.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1843 -5.2585 1.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7333 -4.3866 1.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 -5.7860 0.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6003 -2.1601 -1.9885 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9181 -1.4444 -1.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5693 -0.4162 -1.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1776 6.7958 -0.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 25 1 0 0 0 0 2 32 1 0 0 0 0 3 26 1 0 0 0 0 3 33 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 13 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 6 14 2 0 0 0 0 6 17 1 0 0 0 0 7 14 1 0 0 0 0 7 19 2 0 0 0 0 8 19 1 0 0 0 0 8 27 1 0 0 0 0 8 50 1 0 0 0 0 9 11 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 12 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 15 20 1 0 0 0 0 15 43 1 0 0 0 0 16 21 2 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 20 24 2 0 0 0 0 20 45 1 0 0 0 0 21 24 1 0 0 0 0 21 46 1 0 0 0 0 22 25 1 0 0 0 0 22 47 1 0 0 0 0 23 26 1 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 28 51 1 0 0 0 0 29 31 2 0 0 0 0 29 52 1 0 0 0 0 30 34 2 0 0 0 0 31 34 1 0 0 0 0 31 53 1 0 0 0 0 32 54 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 34 60 1 0 0 0 0 M END > 5328833 > 1 > 1 64 44 88 42 89 66 18 81 74 57 49 32 59 4 35 45 61 70 77 23 7 62 53 15 75 58 73 8 33 76 83 68 71 50 87 27 52 80 28 39 46 72 25 90 47 9 51 56 78 10 36 55 63 16 24 6 82 5 84 86 14 65 54 41 37 19 17 48 12 26 40 30 13 29 38 21 11 67 91 3 22 43 60 31 85 20 69 2 34 93 79 92 > 45 1 -0.18 10 0.37 11 0.37 12 0.37 13 0.1 14 0.72 15 -0.15 16 -0.15 17 0.31 19 0.41 2 -0.36 20 -0.15 21 -0.15 22 -0.15 23 -0.15 24 -0.15 25 0.08 26 0.08 27 0.1 28 -0.15 29 -0.15 3 -0.36 30 0.18 31 -0.15 32 0.28 33 0.28 34 -0.15 4 -0.84 43 0.15 44 0.15 45 0.15 46 0.15 47 0.15 48 0.15 49 0.15 5 -0.84 50 0.4 51 0.15 52 0.15 53 0.15 6 -0.62 60 0.15 7 -0.62 8 -0.6 9 0.37 > 7.2 > 10 1 2 acceptor 1 3 acceptor 1 4 cation 1 8 donor 4 5 6 7 14 cation 6 13 15 16 20 21 24 rings 6 17 18 22 23 25 26 rings 6 27 28 29 30 31 34 rings 6 4 5 9 10 11 12 rings 6 6 7 14 17 18 19 rings > 34 > 0 > 0 > 0 > 0 > 0 > 1 > 3 > 00514FC100000001 > 152.9628 > 50.783 > 10411042 1 18268147565796146106 10462674 369 18336270037814489300 11062273 29 18267592484296678196 11297750 10 18126833920863589986 11331351 85 17775288222690844820 11386260 185 18337942476910903957 12166972 35 18273496762874088843 12677640 9 18127131880015577137 12741549 16 17895185589893021572 13165053 371 18201717366605969952 13248334 5 18340205310300289376 13617811 41 18409453588406145836 13835254 42 18268431222969196656 13955234 65 18340487892855978953 14068700 675 18131634447974219913 14400156 413 18261104163128232916 14849402 71 18340495542493354785 15082195 135 17909526683188981975 15198563 99 18196671622532133404 15347591 1 17762899867639565810 15400415 2 17547006794611460241 15419008 47 18040429958940525637 15420108 30 17618202345768371256 15439362 3 18123470755054551896 16988056 13 18409445916434479964 19301679 30 18194111920671308498 19319366 153 17985545804410181265 1979834 28 18117835732234704693 20238998 120 18411699851057738740 21049683 271 18409174320430987980 21133410 127 17898278657605028325 21133410 230 18339909464985895328 23559900 14 18409725175767033739 23576562 1 18269559510087124726 24771293 8 17986654061213266882 24771750 20 18117852220360362428 249057 3 18342458166227906775 3103668 31 17974286521874115317 397830 11 17970634219894378515 4066623 53 18334861593521463684 4144715 1 18115310102986320425 4408954 87 16906959704035480817 4409770 3 17616533956662416928 6609424 69 18263343880729961549 6697151 62 18193531438481477863 9962374 69 18341885342740796735 9981440 41 17617936276173972840 > 664.93 18.66 7.96 1.11 40.31 12.68 0.22 -19.56 1.29 -15.31 0.36 -0.12 1.2 2.18 > 1441.135 > 364 > 2 5 10 $$$$