5699 -OEChem-03282416593D 22 23 0 0 0 0 0 0 0999 V2000 1.4802 -2.7786 -0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1328 3.0643 -0.0003 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0206 -1.8407 0.0004 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0156 0.2185 0.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6320 -0.9120 -0.0003 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7084 -0.5063 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0244 0.8652 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6481 0.0058 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 1.8591 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7475 -1.4418 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3545 1.2926 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4777 1.3347 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0771 -1.0158 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3789 0.3465 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0265 -0.4914 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8563 -1.8981 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6094 2.3484 0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2848 2.0574 -0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8905 -1.7369 0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4156 0.6711 0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3193 -3.2705 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9280 -2.2135 0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 21 1 0 0 0 0 2 9 2 0 0 0 0 3 15 1 0 0 0 0 3 22 1 0 0 0 0 4 15 2 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 16 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 8 12 2 0 0 0 0 8 15 1 0 0 0 0 9 12 1 0 0 0 0 10 13 2 0 0 0 0 11 14 2 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 M END > 5699 > 0.4 > 1 2 > 22 1 -0.53 10 0.08 11 -0.15 12 -0.14 13 -0.15 14 -0.15 15 0.71 16 0.4 17 0.15 18 0.15 19 0.15 2 -0.57 20 0.15 21 0.45 22 0.5 3 -0.65 4 -0.57 5 -0.6 6 0.1 7 0.09 8 0.11 9 0.47 > 1 > 9 1 1 donor 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 cation 1 5 donor 3 3 4 15 anion 6 5 6 7 8 9 12 rings 6 6 7 10 11 13 14 rings > 15 > 0 > 0 > 0 > 0 > 0 > 1 > 11 > 0000164300000001 > 44.43 > 45.751 > 10967382 1 18410575084673803814 11132069 177 18410287038454996880 11471102 20 18410288129561390789 12032990 46 18411143545202134726 13140716 1 18123187076152275248 14251717 144 18338792441768312647 15442244 35 18051413959289086802 16945 1 18194682562424937280 193761 8 18050568430710563172 20201158 50 18335420166507089995 20588541 1 18334579074392237523 20645477 70 18341046337784741783 21267235 1 18411147917426308879 21501502 16 18194405485473580352 221490 88 18047757284653535915 2334 1 17906452126064484174 23388829 49 18412544331484614669 23402539 116 18342729767512010750 23463225 33 18409448089687385828 23552423 10 18262243196775663716 23559900 14 18195518195937010962 2748010 2 18411413977759931228 3312278 4 18410576171405953345 34934 24 18411409597088377047 528886 8 18411696629789633674 7364860 26 18197216068922346009 81228 2 18118412743288158225 8809292 202 18260271853789275867 > 280.23 5.35 2.54 0.58 2.46 0.36 0 -1.54 0 -0.47 0 -0.04 0.02 0 > 617.27 > 149.2 > 2 5 10 $$$$