11474879 -OEChem-03292401433D 40 43 0 0 0 0 0 0 0999 V2000 0.1965 -3.2525 0.8269 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 1.5809 -0.5878 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0479 1.7075 0.9018 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5576 2.3457 -0.5791 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2984 -1.9863 -1.1607 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7003 -3.0967 0.9093 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6978 -2.6324 -1.0504 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2495 -0.4658 -0.0559 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1809 -0.6715 0.0705 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5230 0.3394 -0.1239 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2280 1.1033 0.3207 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0760 -0.8771 0.2653 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0621 0.4998 -0.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 -1.4006 -0.5783 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7831 0.8478 0.4261 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0761 0.1423 -0.2172 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7377 -1.8372 0.4451 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5409 -1.1439 -0.6876 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2088 -2.0266 0.5676 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3616 1.4255 -0.4084 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4664 -1.0126 0.3711 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7507 2.3251 0.7656 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4505 0.3979 -0.3134 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7460 1.2886 -0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2979 0.0708 0.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1193 2.5776 0.6691 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9686 1.6149 0.1299 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9630 2.1363 -0.4504 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9510 2.3849 -0.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9201 -1.9530 0.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1093 3.0931 1.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1341 -0.3371 -0.7301 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3632 -0.1050 0.1901 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5221 3.5253 1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0341 1.8110 0.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4076 -3.2491 -1.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7270 -2.8556 -1.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2421 1.9026 0.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4553 3.0796 -0.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3242 1.3831 -1.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 13 2 0 0 0 0 3 15 2 0 0 0 0 4 24 1 0 0 0 0 4 28 1 0 0 0 0 5 18 2 0 0 0 0 6 19 2 0 0 0 0 7 14 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 14 2 0 0 0 0 8 15 1 0 0 0 0 9 13 1 0 0 0 0 9 17 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 10 20 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 22 2 0 0 0 0 12 19 1 0 0 0 0 12 21 1 0 0 0 0 14 18 1 0 0 0 0 16 18 1 0 0 0 0 16 23 2 0 0 0 0 17 19 1 0 0 0 0 20 24 2 0 0 0 0 20 29 1 0 0 0 0 21 25 2 0 0 0 0 21 30 1 0 0 0 0 22 26 1 0 0 0 0 22 31 1 0 0 0 0 23 27 1 0 0 0 0 23 32 1 0 0 0 0 24 25 1 0 0 0 0 25 33 1 0 0 0 0 26 27 2 0 0 0 0 26 34 1 0 0 0 0 27 35 1 0 0 0 0 28 38 1 0 0 0 0 28 39 1 0 0 0 0 28 40 1 0 0 0 0 M END > 11474879 > 0.6 > 2 1 > 37 1 -0.14 10 0.09 11 0.09 12 0.09 13 0.47 14 0.11 15 0.47 16 0.09 17 0.15 18 0.47 19 0.47 2 -0.57 20 -0.15 21 -0.15 22 -0.15 23 -0.15 24 0.08 25 -0.15 26 -0.15 27 -0.15 28 0.28 29 0.15 3 -0.57 30 0.15 31 0.15 32 0.15 33 0.15 34 0.15 35 0.15 36 0.4 37 0.4 4 -0.36 5 -0.57 6 -0.57 7 -0.9 8 0.01 9 0.01 > 2 > 11 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 7 cation 1 7 donor 6 10 12 20 21 24 25 rings 6 11 16 22 23 26 27 rings 6 8 11 14 15 16 18 rings 6 9 10 12 13 17 19 rings > 28 > 0 > 0 > 0 > 0 > 0 > 1 > 5 > 00AF17BF00000002 > 130.0111 > 55.938 > 10 15 18187086199518069097 10319926 262 18264194968081966066 10411042 1 17620758284900851398 10675989 125 18049156675198186793 10835480 77 18341890814001585240 11112241 14 17344894433452753472 11595378 159 16878212096057840492 12107183 9 18115854240534781210 12236239 1 16081083818351527050 12403259 118 18118958329358727640 12403259 415 18410020943809089411 12730499 353 18411423886180813763 12788726 201 18059855004661251785 13140716 1 18335415751265178042 13402501 40 18411418431667514192 13540713 4 18339094764495679078 13544592 145 18410581656227084926 14790565 3 18050570638883286393 15196674 1 18411136943700101287 15927050 60 18408037425039271691 17980427 23 17822292460784461140 18608769 82 18337112367417817139 20715895 44 18410009927434473848 21033648 29 18341039830540179344 21236236 1 18338514257111096923 21279426 13 18340210704188096559 21421861 104 17677033656652594786 21859007 373 17460859718601985460 22182313 1 18267321965359662206 23559900 14 18340771451604458414 23569914 152 17053602707839549836 27425 322 17313388975825797144 2747138 104 18042141993556850003 3004659 81 18334579002258969374 3298306 158 18271809077097641654 335352 9 18338235960299565342 3380486 145 18124895687837933627 34797466 226 17846503612771337445 34934 24 18410570678311833711 350125 39 18261389988959379106 3545911 37 18412267267534256024 3680242 22 18263360300647831890 4073 2 18261114109808051874 4093350 32 17346320345694464277 4340502 62 18335421244432903653 495365 180 17917419934987740202 5104073 3 18334861601778634163 5265222 85 17907587170796080956 59755656 215 18411984646318248724 633830 44 18340196423654076071 9709674 26 18411985801094888359 9981440 41 18187086174144164507 9995097 60 18341053007699887288 > 543.77 13.87 3.35 0.89 5.29 1.29 -0.01 -10.78 -1.2 0.34 0.41 -0.32 0.2 2.29 > 1229.372 > 285.1 > 2 5 10 $$$$