9212 -OEChem-03292411433D 26 28 0 0 0 0 0 0 0999 V2000 0.0000 -1.1496 -0.0013 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2993 -0.6142 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2993 -0.6142 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6244 0.7478 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6245 0.7477 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6682 1.8583 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6682 1.8583 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3603 -1.5541 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3603 -1.5541 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9886 1.1236 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9886 1.1236 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6987 -1.1666 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6987 -1.1666 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0143 0.1800 0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0143 0.1800 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.1670 -0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1260 2.8486 -0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1261 2.8486 -0.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1394 -2.6210 -0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1393 -2.6210 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2731 2.1753 0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2731 2.1753 0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4845 -1.9155 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4844 -1.9155 0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0513 0.5010 0.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0514 0.5009 0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 16 1 0 0 0 0 2 4 1 0 0 0 0 2 8 2 0 0 0 0 3 5 1 0 0 0 0 3 9 2 0 0 0 0 4 6 1 0 0 0 0 4 10 2 0 0 0 0 5 7 1 0 0 0 0 5 11 2 0 0 0 0 6 7 2 0 0 0 0 6 17 1 0 0 0 0 7 18 1 0 0 0 0 8 12 1 0 0 0 0 8 19 1 0 0 0 0 9 13 1 0 0 0 0 9 20 1 0 0 0 0 10 14 1 0 0 0 0 10 21 1 0 0 0 0 11 15 1 0 0 0 0 11 22 1 0 0 0 0 12 14 2 0 0 0 0 12 23 1 0 0 0 0 13 15 2 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 M END > 9212 > 0.4 > 1 > 26 1 -0.6 10 -0.15 11 -0.15 12 -0.15 13 -0.15 14 -0.15 15 -0.15 16 0.4 17 0.15 18 0.15 19 0.15 2 0.1 20 0.15 21 0.15 22 0.15 23 0.15 24 0.15 25 0.15 26 0.15 3 0.1 4 0.03 5 0.03 6 -0.18 7 -0.18 8 -0.15 9 -0.15 > 0.2 > 5 1 1 cation 1 1 donor 6 2 4 8 10 12 14 rings 6 3 5 9 11 13 15 rings 7 1 2 3 4 5 6 7 rings > 15 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 000023FC00000001 > 63.244 > 25.383 > 10062212 137 18411693288326384071 10608611 8 18410569591400264608 10616163 171 18412548733826346518 10618630 7 18409730651338301692 10967382 1 18410574015269067174 11132069 177 18411412908281296056 11471102 20 18410288129360878732 11543360 7 15647345176864937043 11806522 49 18337951311099169647 12032990 46 18410578383198033703 13221675 6 18410572885639855843 13296908 3 18410292510174772967 14115302 16 17895485798746859183 14144814 61 18411700975995850299 14325111 11 18410575088968738624 15196674 1 18410573989446476901 15375462 189 18187646868785541699 15442244 35 18194401091722212010 15536298 74 18342738537576740120 16945 1 18410856555345101600 17804303 29 18341898502024186761 18186145 218 17749103387566519287 18522853 276 18413387644028617136 19107657 46 18411699885100615374 200 152 18059848485427818799 20201158 50 18409449189098799851 20510252 161 18200875063141242209 20645477 70 18412823564609937239 21249577 43 18410291414995009781 21267235 1 18410865360028175330 21501502 16 18411140233655716456 21501925 9 18410566297502856842 221490 88 18263370359186828058 2334 1 18410574015216241702 23402539 116 18342166765517977910 23402655 69 18411416189583679732 23463225 33 18409731763645160588 23559900 14 18340199679682235338 2748010 2 18411134740376623324 2871803 45 18334571330597994310 3312278 4 18411140233692607401 335352 9 18122624959475237373 34934 24 18410847767841760650 5104073 3 18410855460128169280 537710 114 18410580599464728404 69090 78 18342452643163194967 7364860 26 18197216056085046824 8809292 202 18260833721453013147 9709674 26 18411142437101007630 > 303.71 7.26 1.96 0.61 0 0.23 0 -1.46 0 0 0 0 0.01 0 > 672.257 > 160.6 > 2 5 10 $$$$