38199 -OEChem-03232318363D 21 23 0 0 0 0 0 0 0999 V2000 -1.2546 3.0790 -0.0011 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.6015 -3.0480 -0.0005 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.9221 -2.8680 -0.0007 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.3139 2.1577 -0.0014 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.9888 -0.9190 0.0001 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2405 2.4706 0.0012 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.1653 -0.5771 -0.0017 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.1165 -1.6456 0.0006 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6654 0.4764 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7595 0.5225 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0052 -0.8730 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1858 -0.8019 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7026 1.4272 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7329 1.5386 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3152 -1.3493 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5238 -1.1925 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0302 0.9783 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3284 -0.3863 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0866 1.1763 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4726 -0.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4548 2.5870 0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 15 1 0 0 0 0 3 16 1 0 0 0 0 4 17 1 0 0 0 0 5 18 1 0 0 0 0 6 19 1 0 0 0 0 7 20 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 9 13 1 0 0 0 0 10 12 1 0 0 0 0 10 14 2 0 0 0 0 11 15 1 0 0 0 0 12 16 2 0 0 0 0 13 17 2 0 0 0 0 14 19 1 0 0 0 0 14 21 1 0 0 0 0 15 18 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 19 20 2 0 0 0 0 M END > 38199 > 0.6 > 1 > 19 1 -0.18 11 0.14 12 0.14 13 0.18 14 -0.15 15 0.18 16 0.18 17 0.18 18 0.18 19 0.18 2 -0.18 20 0.18 21 0.15 3 -0.18 4 -0.18 5 -0.18 6 -0.18 7 -0.18 8 -0.28 > 0 > 4 1 8 acceptor 5 8 9 10 11 12 rings 6 10 12 14 16 19 20 rings 6 9 11 13 15 17 18 rings > 20 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0000953700000001 > 44.7483 > 20.499 > 10411042 1 17473826602841964131 10608611 8 18410853256952682056 10616163 171 18412265055642286678 10967382 1 18410855490219339111 1100329 8 17474952021743429832 11578080 2 17202179988867654747 12403259 226 18337950069838011188 13140716 1 18408604742746741619 14178342 30 18337936901926971186 14223421 5 18410857659388859158 14790565 3 18124601877789540545 15196674 1 18410573993778672773 15375462 6 18411419544169220692 15420108 30 15179542149400724064 15442244 35 18194401096001283530 15536298 74 18341332266673868196 16945 1 18338797810271587202 17492 89 18338516344064932323 17804303 29 18412266108030138692 19591789 44 17473546854473053454 200 152 18131910459699405143 20510252 161 18342459205994510281 20645477 70 18273500069988519510 21267235 1 18410301319195219875 21421861 104 18115301177232247186 21501502 16 18411980247638513747 221490 88 18337961176961055298 2334 1 18266740370868228231 23366157 5 18113901538001407690 23402539 116 18343294869301972287 23557571 272 18272378576295940836 23558518 356 18115030834647204458 23559900 14 18270114613715323186 238 59 16165494107626794653 2748010 2 18340486780612410135 335352 9 18194401091437135327 34934 24 18338793537148600711 350125 39 18410013200294537900 3545911 37 18411138004715317932 4214541 1 18410856542459952865 4409770 3 16744512328708488012 474 4 17604153752292001188 5104073 3 18409730655454064697 59755656 215 18409449176462038950 7097593 13 17898838055345376730 7364860 26 18413108342912155966 8809292 202 18334297612258679187 9709674 26 18412548682418679222 9981440 41 18264203802465794496 > 418.81 9.35 3.4 0.63 1.49 0.07 0 -0.43 0 -0.39 0 0 -0.01 0 > 873.64 > 246.1 > 2 5 10 $$$$