6436265 -OEChem-04232414133D 60 63 0 1 0 0 0 0 0999 V2000 3.1316 -2.7027 -0.8641 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9593 -2.6838 0.5197 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8959 0.7769 0.3454 N 0 0 2 0 0 0 0 0 0 0 0 0 1.5662 1.2677 -0.1717 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9657 1.4706 0.4527 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7485 -1.2543 0.3487 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8847 0.0201 0.4475 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1956 -1.0353 0.7859 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8426 0.2361 0.2407 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7204 2.5454 0.0171 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6586 2.7161 -0.1195 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9372 -1.9085 -1.0208 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4190 3.7830 -0.5413 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8056 3.9665 0.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8793 -2.2287 0.1767 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4992 -0.2078 -0.0813 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8236 -2.8533 -1.4467 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6055 -0.1512 0.6739 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9956 -0.3793 0.1428 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5400 -1.6359 0.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2921 0.5166 -0.0739 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9768 -1.9469 0.4528 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8495 -0.7167 0.6565 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3757 2.0080 -0.2577 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5077 0.3972 -1.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6844 1.1056 -1.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8471 1.6202 1.5356 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3153 -2.0092 1.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7992 0.2304 1.5253 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2648 -1.0793 1.8781 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8142 0.3796 0.7312 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0666 0.1252 -0.8292 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5043 2.6978 1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2408 2.4433 -0.4967 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8666 2.5711 -1.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6259 2.8661 0.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1274 -1.1789 -1.8158 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8096 4.6713 -0.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5023 3.6937 -1.6315 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 4.8230 -0.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7139 4.1964 1.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6057 -0.3592 -1.1512 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1434 -3.4392 -2.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5999 -3.5784 -0.6564 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0983 -2.3403 -1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5099 0.0486 1.7393 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9334 -0.5979 -0.9319 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4976 -1.5065 1.9389 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9109 -2.5044 0.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9008 1.3665 0.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0143 -2.2732 -0.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3572 -2.7777 1.0577 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8718 -0.9301 0.3223 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9140 -0.4989 1.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1185 1.8824 -1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4856 2.3536 0.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1037 2.8232 -0.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2611 1.3323 -2.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9092 -0.4008 -2.0408 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5598 0.1829 -1.8111 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 15 1 0 0 0 0 2 15 2 0 0 0 0 3 19 1 0 0 0 0 3 21 1 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 4 26 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 28 1 0 0 0 0 7 16 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 13 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 14 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 17 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 16 18 2 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 20 22 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 23 1 0 0 0 0 21 25 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 M END > 6436265 > 0.8 > 1 30 44 43 24 45 4 46 33 39 3 41 18 15 22 6 40 19 8 16 28 2 42 36 26 10 32 17 29 31 47 14 25 34 7 37 35 21 12 38 5 13 9 11 23 20 27 > 14 1 -0.43 12 0.28 15 0.66 16 -0.29 18 -0.29 19 0.41 2 -0.57 21 0.27 24 0.27 3 -0.81 42 0.15 46 0.15 7 0.14 8 0.06 > 4.8 > 6 1 2 acceptor 1 3 cation 5 1 6 8 12 15 rings 6 3 19 20 21 22 23 rings 6 4 5 10 11 13 14 rings 6 4 5 6 7 8 9 rings > 25 > 8 > 0 > 1 > 0 > 0 > 1 > 2 > 006235A900000001 > 43.6641 > 30.621 > 10411042 1 18265615377970099258 10937287 8 17762056940655448852 11405975 8 18409735041269645315 116883 192 18123754149733450564 11963148 33 17977943819792497075 12107183 9 18196381316780817769 12166972 35 18202280277676922499 12730499 353 18265345086391615969 12788726 201 17756152185409819834 13009979 54 17916598530934752168 13140716 1 18052250701477606040 13533116 47 18410856598990957625 13583140 156 18115012027370855463 138480 1 18410013213242853824 13955234 65 18339082699984734192 14251764 38 18410576184797419873 14341114 176 18408327692108429281 14790565 3 17545607111528147244 15081414 286 18260833726028061909 15927050 60 17980765154128330126 15961568 22 17749391532612234460 1601671 61 18410577292899073068 16992752 21 18047474423236468818 17349148 13 18131070403188967323 17492 89 18409450327729785947 17844677 252 18410299086487108697 18681886 176 18272368724205277978 1979834 28 18201996625531847586 20645477 70 18410857680847871547 20739085 24 18341896273215650614 21033648 144 18262791982301996333 21033648 29 17240472612268349229 21065198 57 18408886243967879675 21197605 99 17976264852435119003 21315763 129 18410572851828951611 21709351 56 18339356465458257359 21859007 373 17531791469464359989 221490 88 18335709359508194899 22289505 5 18334853913766191612 23559900 14 18409725158370406083 239999 70 18410576180096699626 3060560 45 18272660073396204700 3411729 13 18261109742354079272 3421961 26 18410572877493098136 4015057 19 18411409640612959137 508706 21 17750219332515039901 5104073 3 18409175424316269731 5281201 14 18334859420193488909 59755656 215 18262805193083302332 6443956 14 18408889499294633516 67856867 119 18341047514415551865 7495541 125 18333735688960644966 8272917 22 18339930414685740880 9709674 26 18334862766110507251 9841814 1 18114173121246222392 > 497.77 11.88 4.3 1.02 15.93 2.17 0.28 -2.24 -0.61 -6.12 0.82 0.47 -0.41 0.72 > 1038.041 > 281.6 > 2 5 10 $$$$