6335338 -OEChem-03282414003D 33 35 0 0 0 0 0 0 0999 V2000 -0.0287 -2.5252 -0.0006 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7061 -2.0145 0.0009 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4025 -0.3979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2863 0.4377 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0147 -0.3267 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4976 -0.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0379 -1.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3468 1.8419 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4994 -1.7481 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2071 0.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7258 0.3976 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 -2.4682 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6948 0.1614 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5740 2.5103 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7621 1.7895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8269 -0.6569 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8439 1.5502 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1011 -0.0892 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1182 2.1176 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2467 1.2980 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4517 2.4566 0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4585 -2.2571 -0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2806 1.3081 -0.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6653 -0.1506 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4086 -3.5522 -0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3661 -1.4050 0.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5983 3.5964 0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7154 2.3094 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0114 2.2441 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9845 -0.7220 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2328 3.1978 -0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2388 1.7400 -0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8354 -2.2714 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 16 1 0 0 0 0 2 33 1 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 2 0 0 0 0 5 7 1 0 0 0 0 5 10 2 0 0 0 0 6 9 1 0 0 0 0 6 11 2 0 0 0 0 7 12 1 0 0 0 0 8 14 1 0 0 0 0 8 21 1 0 0 0 0 9 12 2 0 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 11 15 1 0 0 0 0 11 24 1 0 0 0 0 12 25 1 0 0 0 0 13 16 1 0 0 0 0 13 17 2 0 0 0 0 14 15 2 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 16 18 2 0 0 0 0 17 19 1 0 0 0 0 17 29 1 0 0 0 0 18 20 1 0 0 0 0 18 30 1 0 0 0 0 19 20 2 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 M END > 6335338 > 0.6 > 1 7 6 5 2 3 8 4 > 33 1 -0.57 10 -0.05 11 -0.15 12 -0.14 13 0.1 14 -0.15 15 -0.15 16 0.08 17 -0.15 18 -0.15 19 -0.15 2 -0.53 20 -0.15 21 0.15 22 0.15 23 0.15 24 0.15 25 0.15 26 0.4 27 0.15 28 0.15 29 0.15 3 -0.6 30 0.15 31 0.15 32 0.15 33 0.45 4 0.03 5 -0.01 6 0.03 7 0.54 8 -0.15 9 -0.18 > 2 > 7 1 1 acceptor 1 2 donor 1 3 cation 1 3 donor 6 13 16 17 18 19 20 rings 6 4 5 6 7 9 12 rings 6 4 6 8 11 14 15 rings > 20 > 0 > 0 > 1 > 0 > 0 > 1 > 9 > 0060AB6A00000001 > 71.192 > 35.544 > 10411042 1 17762056945119507011 10616163 171 18339926025424655150 1100329 8 16827563908814988440 11405975 8 18408037407995487130 11595378 159 17385990755084145536 12107183 9 17975970969297286250 12173636 292 18410852196037543207 12236239 1 17821727247251398656 12390115 104 18200048248178455849 12596602 18 17095524040789803657 12788726 201 17973153212784963227 13167823 11 18408320003863885130 138480 1 17617940227465419171 14341114 176 18410862048856277516 14508225 48 17982436394586088799 14790565 3 18269281149563499049 15042514 8 18192719062660852483 15196674 1 18410573998062765766 15256400 18 18409450254335254308 17492 89 18410013260282168522 17834072 32 18411139091437236257 17844677 252 18338525234810180624 1813 80 16732704939372657620 20510252 161 18341617061554771483 20645477 56 18408887330172703165 20645477 70 16988292984512640838 21065198 57 18410856590189993742 21236236 1 18341612651040180487 21267235 1 18337399334681824394 21421861 104 17823122446825821610 23227448 37 18412825798113815271 23402539 116 18341888614982987565 23557571 272 18270972352458380580 23558518 356 18187932845020230338 23559900 14 18272370828855628478 245318 6 16665724009749179284 3004659 81 18336267843603242726 335352 9 18338516323043205182 350125 39 18339083795491674361 351380 180 18413387622548674741 3545911 37 18411702093077971108 4073 2 18113904901124422234 4214541 1 18410573993989545924 495365 180 17346022442652371850 5104073 3 18408320003900575322 543358 83 18410013200589696810 559249 180 18410007711558409882 633830 44 18341045220649944879 77779 3 18410575110833789836 9709674 26 18412269466895537542 9981440 41 18335420175419220339 > 394.87 11.68 2.82 0.6 7.68 0.4 0 -4.61 0 -1.54 0 -0.02 -0.02 0 > 871.025 > 209.9 > 2 5 10 $$$$