741762 -OEChem-03192401313D 45 47 0 0 0 0 0 0 0999 V2000 -2.3737 2.9066 -0.0125 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0121 -1.2200 0.0065 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0810 0.6660 -0.0027 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2638 -1.5996 0.0053 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5564 -0.5683 0.0060 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2707 0.0114 0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7544 1.0942 -0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0357 0.5944 -0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3410 -0.6197 0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7852 -1.8431 0.6567 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6628 0.0965 -0.6535 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7471 1.1492 -0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0979 1.7270 -0.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8894 -0.3847 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4017 1.7560 -0.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6436 0.3238 1.2091 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6262 0.2724 -1.2063 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3720 0.8971 1.2061 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3545 0.8457 -1.2092 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4164 0.6390 -0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0019 -1.8327 0.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0991 -0.5807 0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5446 -2.9784 -0.3197 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3549 1.0402 0.3111 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3993 -1.8035 0.0078 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5540 -0.5889 0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1428 -1.9732 1.5351 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8168 -1.8999 1.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3352 0.6533 -1.5389 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3890 -0.6428 -1.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4036 2.8437 -0.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1356 0.1370 2.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0951 0.0252 -2.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8942 1.1383 2.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8611 1.0423 -2.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9188 1.5999 -0.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4669 -2.7755 0.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5096 -2.9816 -0.6775 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1999 -2.8990 -1.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7385 -3.9416 0.1628 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6724 1.8225 0.6595 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7287 0.5066 1.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2053 1.5263 -0.1774 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9372 -2.7489 0.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0619 0.6500 -0.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 14 2 0 0 0 0 3 26 1 0 0 0 0 3 45 1 0 0 0 0 4 26 2 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 16 2 0 0 0 0 6 17 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 2 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 8 20 1 0 0 0 0 9 14 1 0 0 0 0 9 21 1 0 0 0 0 10 23 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 24 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 15 1 0 0 0 0 12 18 2 0 0 0 0 12 19 1 0 0 0 0 15 31 1 0 0 0 0 16 18 1 0 0 0 0 16 32 1 0 0 0 0 17 19 2 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 22 2 0 0 0 0 20 36 1 0 0 0 0 21 25 2 0 0 0 0 21 37 1 0 0 0 0 22 25 1 0 0 0 0 22 26 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 M END > 741762 > 0.8 > 1 2 3 > 33 1 -0.57 10 0.37 11 0.37 12 0.03 13 0.47 14 0.47 15 -0.18 16 -0.15 17 -0.15 18 -0.15 19 -0.15 2 -0.57 20 -0.15 21 -0.15 22 0.09 25 -0.15 26 0.63 3 -0.65 31 0.15 32 0.15 33 0.15 34 0.15 35 0.15 36 0.15 37 0.15 4 -0.57 44 0.15 45 0.5 5 -0.84 6 0.1 7 0.03 8 0.09 9 0.09 > 5 > 9 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 cation 3 3 4 26 anion 5 7 8 9 13 14 rings 6 6 12 16 17 18 19 rings 6 8 9 20 21 22 25 rings > 26 > 0 > 0 > 1 > 0 > 0 > 1 > 1 > 000B518200000001 > 94.3793 > 45.817 > 10595046 47 18335424561039602476 11315181 36 18060143167429159649 11524674 6 16774076284834491671 117089 54 16911738238111394838 11963148 33 18410849997305607127 12107183 9 17759519968187738392 12166972 35 17967253117668370997 12236239 1 17894348861154055572 12516196 113 18344144804659703824 12633257 1 16415476095052593788 12760667 363 18412825794140574981 13073987 5 18341892949106285392 13288520 33 18410856581768961693 13533116 47 18409448102936252088 13685833 64 18412826893377915744 13782708 43 17846491534917352727 13862211 1 18411699920267345255 14216079 64 18412543206746664439 14251764 18 18343304781464037868 14294032 229 17970627386185491181 14347332 77 18261952951233148132 15183329 4 18260555515278516142 15510800 12 17843688768842842902 16087824 20 18336545994650572925 17492 89 17835519697990441655 17857418 61 18411983559190434166 18681886 176 18261950846667888392 19141452 34 17703226338555529991 21130935 74 18272935981573729130 21150785 3 17312822697172221932 21267235 1 18336267933691729723 21781051 124 17895776091925068203 22224240 67 16128654167816351628 23522609 53 18123783969291298232 23559900 14 18339073899475840673 29717793 49 17822014203017803452 3004659 81 18040995176093528253 335352 9 18410290333575972061 350125 39 18411418392912289441 3633792 109 17530679909672537997 4073 2 18115591598842028514 4325135 7 18334577971583019076 4340502 62 14836130983182174949 46194498 28 17095243640066386430 465052 167 18337960085907142567 5104073 3 18131064884488360336 559249 180 18409165485730290845 59755656 215 18410293592739159983 6138700 20 18409167714892417347 > 506.61 19.27 2.29 0.88 0.12 0.62 0 7.2 -0.03 0.51 0.01 0.99 -0.1 0.04 > 1105.643 > 276.6 > 2 5 10 $$$$