6293 -OEChem-03282417003D 26 28 0 0 0 0 0 0 0999 V2000 2.4966 2.1721 0.0012 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0578 2.4815 -0.0018 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8533 -2.8032 0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5936 0.4292 0.0014 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9241 0.3308 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7088 -1.0490 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5915 0.7233 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8068 -0.6564 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2182 1.2674 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6646 -1.5930 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2308 0.8335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8002 -1.9260 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6829 1.6003 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1134 -1.1592 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3154 -0.0440 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1005 -1.4208 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9833 1.0951 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1981 -0.2818 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6592 -3.0034 -0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5439 2.6780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3075 -2.2284 0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9427 -2.1077 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8296 1.7760 0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2116 -0.6725 0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6774 2.6888 0.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5594 1.4015 0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 25 1 0 0 0 0 2 9 2 0 0 0 0 3 10 2 0 0 0 0 4 15 1 0 0 0 0 4 26 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 2 0 0 0 0 8 10 1 0 0 0 0 8 14 2 0 0 0 0 11 15 2 0 0 0 0 12 16 2 0 0 0 0 12 19 1 0 0 0 0 13 17 1 0 0 0 0 13 20 1 0 0 0 0 14 18 1 0 0 0 0 14 21 1 0 0 0 0 15 16 1 0 0 0 0 16 22 1 0 0 0 0 17 18 2 0 0 0 0 17 23 1 0 0 0 0 18 24 1 0 0 0 0 M END > 6293 > 0.4 > 1 > 26 1 -0.53 10 0.4 11 0.08 12 -0.15 13 -0.15 14 -0.15 15 0.08 16 -0.15 17 -0.15 18 -0.15 19 0.15 2 -0.57 20 0.15 21 0.15 22 0.15 23 0.15 24 0.15 25 0.45 26 0.45 3 -0.57 4 -0.53 5 0.09 6 0.09 7 0.09 8 0.09 9 0.4 > 0 > 7 1 1 donor 1 2 acceptor 1 3 acceptor 1 4 donor 6 5 6 11 12 15 16 rings 6 5 6 7 8 9 10 rings 6 7 8 13 14 17 18 rings > 18 > 0 > 0 > 0 > 0 > 0 > 1 > 16 > 0000189500000001 > 55.1458 > 35.568 > 10411042 1 16681473985820493091 10608611 8 18410008836322707693 10616163 171 18340208603986460279 10967382 1 18410573972277124742 11132069 177 18412257320363390929 11471102 20 18410570652267437582 12011746 2 18411421687463448718 13140716 1 18050286165338440690 13221675 6 18410573980909419774 13380535 76 18411700988928601654 13897977 150 18410571752037580069 14790565 3 18338248119041230788 15196674 1 18410856521006306343 15230672 131 13074354399853694571 15309172 13 18411709781164207883 15442244 35 18194964037180199442 15536298 74 18343021051830099822 16945 1 18266458904676695943 18186145 218 18342181007687339157 193761 8 17978229692434708679 19591789 44 18410294717988897411 200 152 18131060537949710269 20510252 161 18272089348914050921 21249577 43 18410012122056883783 21267235 1 18410865368691923991 21501502 16 18339358698640758551 221490 88 18336554888197741322 2334 1 18410855464713272931 23402539 116 18343292678235791494 23402655 69 18342171125199823253 23463225 33 18408885109526664693 23559900 14 18342737374110231214 2748010 2 18410294683707832199 335352 9 17978228257920906999 34934 24 18410848858816370258 474 4 17169278229078422236 5104073 3 18410293566757879746 528886 8 18411132515609957307 537710 114 18410579478488709685 53812653 166 18341891891837266944 54173680 148 18120938566589954723 69090 78 18413103974524208103 7364860 26 18342455950266835808 8809292 202 18261395601948963291 9709674 26 18412268349787263702 > 346.95 6.93 2.45 0.6 0.14 0.17 0 -0.77 0 -0.18 0 0.03 0.01 0 > 790.236 > 178.7 > 2 5 10 $$$$