5353676 -OEChem-04192423003D 37 38 0 0 0 0 0 0 0999 V2000 2.2130 -2.5160 -0.6594 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3859 -1.3906 0.8160 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8197 0.9192 0.4162 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4050 1.5843 0.1998 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4912 -0.5759 1.0830 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6414 -0.1936 -0.4091 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9253 0.4603 -0.4375 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3494 -0.4016 -0.6981 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6335 0.6527 -0.7278 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6441 0.0558 0.1751 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3829 0.1730 0.1935 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5713 -1.3704 -0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1696 1.1187 -0.0986 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8659 1.5822 -0.4896 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4052 -0.8729 -0.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1642 1.3889 -0.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7036 -1.0660 0.2268 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9971 -1.0816 -0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4678 1.2899 0.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9407 -0.1371 0.4672 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7996 0.3809 0.5084 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0256 -1.4081 -0.9422 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3052 1.6510 -1.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5324 1.9941 -0.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5071 2.5688 -0.7653 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7471 -1.7291 0.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6709 -1.9317 -0.0893 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8271 2.2810 0.4414 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8055 2.2579 -0.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9918 -2.0705 0.5057 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8006 -2.2089 0.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3713 -1.4930 1.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7890 0.7307 0.6432 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5639 1.8615 0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9194 2.3302 -0.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3832 1.7447 0.4154 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4523 -0.2444 1.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 20 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 20 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 21 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 21 2 0 0 0 0 5 37 1 0 0 0 0 6 8 2 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 9 2 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 10 20 2 0 0 0 0 11 18 2 0 0 0 0 11 19 1 0 0 0 0 11 21 1 0 0 0 0 12 18 1 0 0 0 0 13 19 2 0 0 0 0 13 24 1 0 0 0 0 14 16 2 0 0 0 0 14 25 1 0 0 0 0 15 17 2 0 0 0 0 15 26 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 18 27 1 0 0 0 0 19 28 1 0 0 0 0 M END > 5353676 > 0.6 > 1 2 > 35 1 -0.57 11 0.01 12 0.54 13 -0.15 14 -0.15 15 -0.15 16 -0.15 17 -0.15 18 -0.14 19 -0.15 2 -0.9 20 0.2 21 0.49 22 0.15 23 0.15 24 0.15 25 0.15 26 0.15 27 0.15 28 0.15 29 0.15 3 -0.9 30 0.15 31 0.4 32 0.4 33 0.4 34 0.4 35 0.4 36 0.4 37 0.4 4 -0.85 5 -0.85 6 0.01 8 -0.15 9 -0.15 > 2 > 10 1 1 acceptor 1 2 cation 1 2 donor 1 3 cation 1 3 donor 1 4 donor 1 5 donor 3 4 5 21 cation 6 6 11 12 13 18 19 rings 6 7 10 14 15 16 17 rings > 21 > 0 > 0 > 1 > 0 > 0 > 1 > 2 > 0051B0CC00000001 > 86.2856 > 50.858 > 10 15 18409163342510137312 10354089 29 18131350808808485260 106641 1 18041558139686199600 10670039 82 12895082786169619795 10693767 8 11170174459764842240 11089746 13 16988837302323113353 11315181 36 17967534584408470413 11646440 116 17632295687985596200 11724838 91 18342172310252029447 12107183 9 17550396137623194347 12166972 35 12901550143496983726 12236239 1 16702301239240420727 12507560 40 18340206293430724645 12516196 113 18342741818916066409 12596602 18 18187079529497123152 12670543 26 9799694800496438204 12730499 353 18272938206957424406 12916748 109 17917998261129965164 13073987 5 18270967830353605609 13533116 47 15123238676025213590 13668630 136 13984664737119285185 14251732 16 18408323310672016585 14251752 14 11599733861004495336 14251764 18 18408603690379312605 14341114 176 18412548695403294620 14849402 71 18269555116911138952 15475509 35 17023446566386993104 15716309 27 18186518808478474264 1813 80 17022627446301758660 18222031 100 12685089260020595286 19489759 90 16805038506935213573 21065199 12 18339081484514127309 21130935 74 18341334413947176027 21267235 1 18339924823693291454 21623969 137 18412267233127064346 22122407 14 17131563820593830729 22224240 67 18340481253269276434 23198884 109 12103850064046840389 23402539 116 18114455729798912535 23559900 14 18410570725767542065 239999 70 18272097058913311742 26918003 58 18335140903633475265 29717793 49 12973603313950503234 300161 21 17561360673776030503 3545911 37 18342739611091736828 4073 2 18187370968792880562 4214541 1 18408604725962550101 4325135 7 17458631133782594188 4340502 62 18410011027056884430 465052 167 18113331999726260626 5104073 3 18265618680414412699 542803 24 15841550764838558909 59682541 35 18338517551087003089 67856867 119 18042411394489097229 > 406.38 17.49 1.71 0.82 2.88 0.32 0.01 -1.32 5.91 -0.37 -0.15 -0.11 0.07 0.7 > 875.087 > 221 > 2 5 10 $$$$