10359384 -OEChem-05062401033D 36 38 0 0 0 0 0 0 0999 V2000 -0.7939 -0.8590 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2547 2.6749 0.0183 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8922 1.7274 -0.0372 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5029 -0.7280 0.1002 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5221 2.8312 -0.0079 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1098 -0.4617 2.4792 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1594 -0.4873 -2.3097 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0202 -3.0190 -0.0536 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0301 0.2973 0.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8112 0.4906 -0.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1596 -0.7407 -0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4188 0.0288 0.0539 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5341 1.5448 0.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0061 1.7216 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2070 0.5503 -0.0307 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1177 -0.1046 -1.1462 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0926 -0.0921 1.2695 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9007 -1.9225 -0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -0.3462 1.2851 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4892 -0.3586 -1.1306 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2945 -1.8673 -0.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9460 -0.6332 -0.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1623 -0.4795 0.0851 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3460 0.2328 -0.5312 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6004 -0.0122 -2.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5557 0.0101 2.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3954 -2.8850 -0.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0325 -0.5884 -0.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1921 2.4229 0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2794 2.4783 -0.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0508 -0.6353 2.3024 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9575 -1.0191 -2.1549 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9666 -2.7954 -0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8350 1.1790 -0.7413 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -0.1852 -1.4522 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1793 0.4434 0.1463 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 13 1 0 0 0 0 2 29 1 0 0 0 0 3 15 1 0 0 0 0 3 30 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 5 14 2 0 0 0 0 6 19 1 0 0 0 0 6 31 1 0 0 0 0 7 20 1 0 0 0 0 7 32 1 0 0 0 0 8 21 1 0 0 0 0 8 33 1 0 0 0 0 9 12 1 0 0 0 0 9 13 2 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 15 2 0 0 0 0 11 18 2 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 15 22 1 0 0 0 0 16 20 1 0 0 0 0 16 25 1 0 0 0 0 17 19 2 0 0 0 0 17 26 1 0 0 0 0 18 21 1 0 0 0 0 18 27 1 0 0 0 0 19 23 1 0 0 0 0 20 23 2 0 0 0 0 21 22 2 0 0 0 0 22 28 1 0 0 0 0 24 34 1 0 0 0 0 24 35 1 0 0 0 0 24 36 1 0 0 0 0 M END > 10359384 > 0.6 > 1 2 > 33 1 -0.16 10 0.09 11 0.08 12 0.03 13 0.09 14 0.47 15 0.08 16 -0.15 17 -0.15 18 -0.15 19 0.08 2 -0.53 20 0.08 21 0.08 22 -0.15 23 0.08 24 0.28 25 0.15 26 0.15 27 0.15 28 0.15 29 0.45 3 -0.53 30 0.45 31 0.45 32 0.45 33 0.45 4 -0.36 5 -0.57 6 -0.53 7 -0.53 8 -0.53 9 0.05 > 2 > 11 1 1 acceptor 1 2 donor 1 3 donor 1 4 acceptor 1 5 acceptor 1 6 donor 1 7 donor 1 8 donor 6 1 9 10 11 13 14 rings 6 10 11 15 18 21 22 rings 6 12 16 17 19 20 23 rings > 24 > 0 > 0 > 0 > 0 > 0 > 1 > 180 > 009E125800000001 > 83.7292 > 55.852 > 10319926 262 18198602381861014178 10411042 1 18194683890208479527 10595046 47 18334017203182424436 11370993 144 16773807961021026339 11552529 35 14332258935929311205 11796584 16 18126287437810019510 12107183 9 17540244351079887970 12236239 1 17749390343369665186 12403259 415 17632571656724211408 12553582 1 18408606985199698323 12616971 3 17240486883637175222 12788726 201 18188208698048287705 13140716 1 18340204193856686393 13288520 33 18411420631160086343 13675066 3 17775281690272265387 13782708 43 17775007852164639294 14386348 63 17847063268226398950 15196674 1 18410855507710736961 15961568 22 18337948021645708232 16752209 62 18334857212290434443 17138139 8 17605267591419435578 17349148 13 17749385949301883442 17804303 29 18413387648824867769 17844677 252 18341899622826002521 18222031 100 18270109231709844639 18681886 176 18335985354897809492 19141452 34 17632295722429905775 200 152 16732982007401692012 20511986 3 17749096786513060884 21033648 29 17203315689678694642 21033650 10 18046370568841939612 21054139 6 18040152942161395322 21065201 7 18342458088944303842 21267235 1 18337114561866556283 2297311 6 18342745121445009302 23175994 123 17203330018238246233 23366157 5 17898008181711832077 23402539 116 18408884035837731438 23557571 272 18202002084314117040 23559900 14 18343302556935054060 2838139 119 14835573410939096593 3004659 81 18114459054304222055 335352 9 18410289230022389733 3411729 13 18124588936957996056 34797466 226 18131082558484764788 474 4 17023762246167270180 5104073 3 18341050817525172857 573450 72 18187921751008499755 602551 16 18413102866507139450 67856867 119 18188496890607212876 6823239 73 18272083920603026616 7495541 125 18059855082608478648 77492 1 17676210130700891440 7970288 3 18338515373545085959 > 446.95 12.78 2.21 1.25 6.16 0.54 0.16 -4.3 -0.82 -4.01 -0.03 2.4 -0.25 -0.1 > 996.922 > 236.7 > 2 5 10 $$$$