69703679 -OEChem-04252413013D 57 59 0 1 0 0 0 0 0999 V2000 2.6183 2.5331 0.9076 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8120 -0.0148 1.1456 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3092 0.5128 -0.5624 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8874 3.0210 -2.6288 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7883 4.1690 -1.0111 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8572 -5.8234 -0.3885 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5641 3.7744 1.0078 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3597 0.6980 -0.6616 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9478 2.1119 -0.4182 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8386 0.6489 -0.6353 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0209 -0.3382 0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1718 0.3371 0.5495 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1115 0.9149 -1.7956 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7140 -1.7901 0.0891 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4653 3.2078 -1.3526 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2221 0.2917 0.5742 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2822 0.8695 -1.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9491 0.5579 -0.5861 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7516 -2.6460 1.1897 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3887 -2.2896 -1.1721 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4636 -4.0014 1.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1009 -3.6448 -1.3325 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5213 3.3660 1.5007 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1382 -4.5008 -0.2317 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9263 0.1878 0.6825 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4151 0.1569 0.4979 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0477 3.7221 2.8773 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1663 1.3166 0.6889 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0478 -1.0319 0.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5502 1.2876 0.5167 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4317 -1.0610 -0.0376 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1828 0.0988 0.1536 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9140 -6.6417 0.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6803 0.4305 -1.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0396 2.0494 -0.5264 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7131 0.1454 1.4717 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 1.1536 -2.7274 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6717 0.0496 1.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8434 1.0764 -2.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9975 -2.2727 2.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3652 -1.6599 -2.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5097 -4.6095 1.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8514 -4.0292 -2.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6831 0.9393 1.4453 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6032 -0.8013 1.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5779 3.7360 -3.2248 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9563 2.8170 3.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7761 4.3864 3.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0891 4.2432 2.8157 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6849 2.2497 0.9695 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4738 -1.9417 -0.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1351 2.1907 0.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9244 -1.9864 -0.3212 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2603 0.0761 0.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6634 -7.6621 0.4709 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 -6.3386 1.5195 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -6.6739 1.1991 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 23 1 0 0 0 0 2 11 2 0 0 0 0 3 18 1 0 0 0 0 3 25 1 0 0 0 0 4 15 1 0 0 0 0 4 46 1 0 0 0 0 5 15 2 0 0 0 0 6 24 1 0 0 0 0 6 33 1 0 0 0 0 7 23 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 34 1 0 0 0 0 9 15 1 0 0 0 0 9 35 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 12 16 1 0 0 0 0 12 36 1 0 0 0 0 13 17 2 0 0 0 0 13 37 1 0 0 0 0 14 19 2 0 0 0 0 14 20 1 0 0 0 0 16 18 2 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 19 21 1 0 0 0 0 19 40 1 0 0 0 0 20 22 2 0 0 0 0 20 41 1 0 0 0 0 21 24 2 0 0 0 0 21 42 1 0 0 0 0 22 24 1 0 0 0 0 22 43 1 0 0 0 0 23 27 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 30 1 0 0 0 0 28 50 1 0 0 0 0 29 31 2 0 0 0 0 29 51 1 0 0 0 0 30 32 2 0 0 0 0 30 52 1 0 0 0 0 31 32 1 0 0 0 0 31 53 1 0 0 0 0 32 54 1 0 0 0 0 33 55 1 0 0 0 0 33 56 1 0 0 0 0 33 57 1 0 0 0 0 M END > 69703679 > 1 > 1 34 50 66 54 58 51 28 31 23 24 18 13 59 43 35 63 40 3 49 21 46 64 10 26 14 22 4 41 48 33 19 60 11 5 30 56 32 42 25 12 20 6 67 57 45 15 53 36 17 37 52 61 44 38 27 47 7 29 65 9 55 2 8 62 39 16 > 47 1 -0.43 10 -0.14 11 0.42 12 -0.15 13 -0.15 14 0.09 15 0.66 16 -0.15 17 -0.15 18 0.08 19 -0.15 2 -0.57 20 -0.15 21 -0.15 22 -0.15 23 0.66 24 0.08 25 0.42 26 -0.14 27 0.06 28 -0.15 29 -0.15 3 -0.36 30 -0.15 31 -0.15 32 -0.15 33 0.28 36 0.15 37 0.15 38 0.15 39 0.15 4 -0.65 40 0.15 41 0.15 42 0.15 43 0.15 46 0.5 5 -0.57 50 0.15 51 0.15 52 0.15 53 0.15 54 0.15 6 -0.36 7 -0.57 8 0.2 9 0.34 > 11 > 10 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 7 acceptor 3 4 5 15 anion 6 10 12 13 16 17 18 rings 6 14 19 20 21 22 24 rings 6 26 28 29 30 31 32 rings > 33 > 0 > 2 > 0 > 0 > 0 > 1 > 2 > 042797FF00000001 > 102.9417 > 50.81 > 10554248 39 18201715099749032109 11505856 67 17187566581602697589 11607047 191 17772736390070177888 12107183 9 17837221377060125793 131258 38 18196657297877502904 131258 43 17771360681906183662 13533116 47 18410017602978518097 13692114 37 18193273228778341091 13785724 45 18051984610636179063 13955234 65 18341610404197239579 14565420 104 18199742716457060688 15250474 111 18270110340582028055 15392192 104 17896615053988536857 19319366 153 18272365433959771897 1979834 28 18334008427905498781 20505436 4 17774717679282957892 21033648 29 18054776549985542328 21049683 118 17700953690690866048 21049683 271 18335988550390570126 21344244 78 17916011374387206848 21703447 108 18341049627655765881 21716022 299 17974876994178098798 22899556 56 17264949072510895648 23559900 14 18334866030032307825 23845131 108 18125154085522449618 3178227 256 18411128135613597818 32027 91 18191017903687809135 376196 1 16483861444777121680 404807 14 17689161106883413859 4073 2 18338239392489858419 4561138 5 18130509639949277385 5309563 4 18049163259130214175 57527585 103 17109571101415691008 57816373 69 17913205365507191455 6441014 3 17544474151118135307 6697151 62 17910090444680102285 86090 222 17604442777974595931 9658208 31 17981051026925192108 9831232 110 18261959536389139087 > 638.04 14.96 7.55 1.78 49.87 10.18 -0.01 -1.81 3.97 -16.36 1.56 -2.15 -1.8 0.49 > 1368.318 > 349.9 > 2 5 10 $$$$