65434362 -OEChem-03292409363D 32 33 0 0 0 0 0 0 0999 V2000 -0.6342 -2.2379 -0.6287 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.6483 1.9845 0.3259 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2256 1.6783 -0.6798 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8001 -0.2902 0.0811 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7894 -2.2010 0.8062 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6034 -0.1211 -0.1547 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1772 0.0396 0.0477 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7363 0.6372 0.1403 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2956 0.5096 -0.2692 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1495 -0.8958 0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7156 -1.4987 -0.3434 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5553 1.3224 -0.3491 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9818 0.0179 0.2465 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4998 -0.5485 0.3595 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9611 -2.1180 -0.2371 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0941 -1.3596 0.0577 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9057 1.6697 -0.3915 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8779 0.7344 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8588 2.6772 0.6235 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5973 -1.2267 0.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8701 2.1072 -0.6328 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9051 0.5400 0.4722 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2681 -1.2674 0.6329 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0483 -3.1904 -0.3842 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0633 -1.8430 0.1399 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2017 2.6687 -0.6988 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9292 1.0051 -0.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5160 -2.8594 1.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8275 -2.5033 0.8336 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6029 3.7356 0.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2891 2.3488 1.5758 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5746 2.6142 -0.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 8 1 0 0 0 0 2 19 1 0 0 0 0 3 9 2 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 4 20 1 0 0 0 0 5 10 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 7 10 1 0 0 0 0 7 12 2 0 0 0 0 8 13 1 0 0 0 0 10 14 2 0 0 0 0 11 15 2 0 0 0 0 12 17 1 0 0 0 0 12 21 1 0 0 0 0 13 16 2 0 0 0 0 13 22 1 0 0 0 0 14 18 1 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 16 25 1 0 0 0 0 17 18 2 0 0 0 0 17 26 1 0 0 0 0 18 27 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 M END > 65434362 > 0.6 > 5 1 18 26 32 13 12 7 22 21 30 11 28 25 17 3 29 27 6 23 19 20 9 8 24 16 4 2 31 15 10 14 > 29 1 -0.19 10 0.1 11 0.19 12 -0.15 13 -0.15 14 -0.15 15 -0.15 16 -0.15 17 -0.15 18 -0.15 19 0.28 2 -0.36 20 0.37 21 0.15 22 0.15 23 0.15 24 0.15 25 0.15 26 0.15 27 0.15 28 0.4 29 0.4 3 -0.57 4 -0.55 5 -0.9 6 0.09 7 0.12 8 0.08 9 0.54 > 4 > 7 1 2 acceptor 1 3 acceptor 1 4 donor 1 5 cation 1 5 donor 6 6 8 11 13 15 16 rings 6 7 10 12 14 17 18 rings > 19 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 03E672FA00000005 > 80.1772 > 35.533 > 10616163 171 18411702118563191734 12107183 9 17905042551951921746 12173636 292 18342733031243998613 12236239 1 18186801404467951445 12251169 10 18410855464581397740 12390115 104 17986973885489317865 12633257 1 18191298278493320442 12670546 56 18342172301667408221 13140716 1 18337953363871796235 13167823 11 18409448098451452234 14289901 80 18409448111156934944 14420673 8 18122910824457962286 14445660 50 18410013217247352456 15042514 8 18196938983935312687 15196674 1 18409729556358965994 15442244 35 18337389340440366378 15536298 74 18411136948512195694 16752209 62 18201707466684616207 17492 89 18410293592565521906 17804303 29 18272372022465906321 1813 80 17023191500309688190 19050596 39 18408038528966035912 19422 9 18335138695835701242 200 152 18337946904700126959 20281475 54 18335976506779954450 20510252 161 18202290203657677073 21065198 48 18408321077568558522 21267235 1 18336836367785930230 23402539 116 18272645788451029295 23463225 33 18408602547934102567 23503953 91 18337383834308351408 23557571 272 18201730565219194308 23559900 14 18270674384950074360 335352 9 18122907529853354774 350125 39 18412266160018483529 4214541 1 18411138021869040712 474 4 17677335068788572964 5104073 3 18408318878772254496 573450 72 18410004433986328960 58051976 100 18408041792698166756 7097593 13 18117549626961060522 77779 3 18410857668115911312 9709674 26 18410017645459342062 > 362.04 9.78 2.54 0.73 4.55 0.26 0.02 1.19 1.06 -1.86 0.14 0.05 0 -1.15 > 782.836 > 198.6 > 2 5 10 $$$$