17957919 -OEChem-04232411233D 38 40 0 0 0 0 0 0 0999 V2000 -3.3190 -1.8495 0.4753 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4032 2.4403 1.7220 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7226 -4.0074 0.1149 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7433 -3.1615 -0.6210 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2966 -1.3027 -1.9235 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4512 -0.5419 -0.1194 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9237 1.3583 -0.0570 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9094 0.7678 0.6623 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9523 0.4335 -0.2086 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2865 -0.5224 0.9673 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5747 -0.7345 0.4187 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3202 1.4153 1.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9809 2.6523 -0.5754 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1083 0.8486 -0.9312 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4956 -1.5115 1.7295 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6405 0.8761 0.5603 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0725 3.0386 -1.2554 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1659 2.0972 -1.4331 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7316 0.1817 -0.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7795 1.0679 1.3425 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9616 -0.3211 -1.0702 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0095 0.5651 0.9183 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1006 -0.1294 -0.2879 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8231 -3.0081 -0.0681 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3830 -0.6529 -0.7303 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1373 3.3127 -0.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9321 0.1573 -1.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1997 -2.0414 1.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0848 -1.0305 2.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1400 -2.2529 2.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1616 4.0322 -1.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0361 2.4333 -1.9864 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8634 0.0290 -1.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7303 1.5992 2.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9882 -0.8531 -2.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8848 0.7236 1.5428 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4038 -4.8586 -0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1664 -1.6523 -2.2124 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 24 1 0 0 0 0 2 12 2 0 0 0 0 3 24 1 0 0 0 0 3 37 1 0 0 0 0 4 24 2 0 0 0 0 5 25 1 0 0 0 0 5 38 1 0 0 0 0 6 25 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 2 0 0 0 0 8 12 1 0 0 0 0 9 11 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 12 16 1 0 0 0 0 13 17 2 0 0 0 0 13 26 1 0 0 0 0 14 18 2 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 19 21 1 0 0 0 0 19 33 1 0 0 0 0 20 22 2 0 0 0 0 20 34 1 0 0 0 0 21 23 2 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 23 25 1 0 0 0 0 M END > 17957919 > 0.8 > 1 12 14 16 17 13 3 11 9 19 7 18 5 10 2 15 6 8 4 > 35 1 -0.21 10 -0.18 11 0.06 12 0.57 13 -0.18 14 -0.11 15 0.18 16 0.09 17 -0.15 18 -0.15 19 -0.15 2 -0.57 20 -0.15 21 -0.15 22 -0.15 23 0.09 24 0.87 25 0.63 26 0.15 27 0.15 3 -0.65 31 0.15 32 0.15 33 0.15 34 0.15 35 0.15 36 0.15 37 0.5 38 0.5 4 -0.57 5 -0.65 6 -0.57 7 0.33 8 -0.24 9 -0.2 > 5 > 11 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 7 cation 3 3 4 24 anion 3 5 6 25 anion 5 7 8 9 10 11 rings 6 16 19 20 21 22 23 rings 6 7 9 13 14 17 18 rings > 25 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0112041F00000001 > 74.6968 > 56.038 > 10165383 225 18263928727122872613 105312 117 18115864110000414069 107951 10 17749396906048532763 10803635 8 18335137540700469254 11582403 64 16329830680295008897 11796584 16 18337670807455299202 11809386 21 18187641427373740314 12236239 1 16515685503088155880 12293681 160 17914042097823679601 12403259 226 18197214956393609978 12623949 98 17626118798763957495 12714826 92 18336554888366351785 13257819 37 18115013105760535957 13583140 156 18202278109193373390 13690498 29 18336272348338205702 14713325 29 18041291976067309465 15163728 17 17391060444555245397 15463212 79 17749384836847350896 16752209 62 18113612425913462394 17870717 6 18339652144023619724 1813 80 17974855283144777291 19141452 34 18128542750843512995 19958102 18 18191865617892541998 200 152 16415190136077668304 20511986 3 17823121368662416322 20693207 138 18272377515882260016 21033650 10 18113903749582589440 21065201 7 18409158939862528594 21344244 181 18057298744012827391 21756936 100 16153718578658901920 21781051 124 18114464475212131585 22122407 14 14707782679895141445 22393880 68 18409444783037542562 2260408 40 17402359429837470555 22620623 9 18335699468356728635 22849339 104 18409173194653606431 23557571 272 18191857027779023833 23559900 14 18341606015236879624 4015057 19 17703774938390680328 44062 13 18409729564732954102 508706 21 18411980264866440999 5283173 99 18408600349533611992 59755656 520 18269281158137232609 7399639 24 17479437385019387345 9709674 26 18270951448847678777 > 474.29 10.6 3.5 1.49 14.72 2.51 -0.07 1.58 4.82 -6.26 0.42 0.73 -0.29 2.02 > 1050.424 > 252 > 2 5 10 $$$$