23367262 -OEChem-04262407183D 39 41 0 0 0 0 0 0 0999 V2000 -1.5362 -3.2079 0.1701 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4467 0.4284 0.0981 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1188 2.9905 -0.6523 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1057 -3.5343 -1.3258 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6045 -4.2700 0.5141 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6666 -2.9003 1.0298 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7566 0.6669 1.6855 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8687 -0.9284 -0.2178 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9794 1.5621 -0.6414 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6519 -0.4268 -0.3733 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5501 -0.6241 -0.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9111 0.6132 -0.2758 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6183 -1.7268 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2466 -0.5103 -0.2543 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7710 -1.7850 0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4883 0.6530 -0.3887 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9493 -0.6638 0.0892 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6902 1.7742 -0.4083 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7078 0.4994 -0.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0794 1.7160 -0.2934 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5721 0.5974 -0.0847 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7519 0.7025 -0.8213 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3052 1.5073 0.9382 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6650 1.7174 -0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2184 2.5222 1.2248 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3982 2.6272 0.4881 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2737 -2.7302 0.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9789 1.5984 -0.6101 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4399 -1.6141 0.2908 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6635 2.6275 -0.3911 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0775 -1.2485 -0.7922 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9711 0.0000 -1.6214 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4064 1.4358 1.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8140 3.6678 -0.7119 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7135 -4.3084 -1.3851 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5838 1.7991 -1.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0135 3.2274 2.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7104 0.6505 1.9346 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1097 3.4165 0.7121 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 13 1 0 0 0 0 2 7 1 0 0 0 0 2 8 2 0 0 0 0 2 9 2 0 0 0 0 2 19 1 0 0 0 0 3 18 1 0 0 0 0 3 34 1 0 0 0 0 4 35 1 0 0 0 0 7 38 1 0 0 0 0 10 14 1 0 0 0 0 10 21 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 17 2 0 0 0 0 12 16 1 0 0 0 0 12 18 2 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 14 16 2 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 19 1 0 0 0 0 17 29 1 0 0 0 0 18 20 1 0 0 0 0 19 20 2 0 0 0 0 20 30 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 32 1 0 0 0 0 23 25 2 0 0 0 0 23 33 1 0 0 0 0 24 26 2 0 0 0 0 24 36 1 0 0 0 0 25 26 1 0 0 0 0 25 37 1 0 0 0 0 26 39 1 0 0 0 0 M END > 23367262 > 0.8 > 1 4 6 3 2 5 7 > 37 1 1.49 10 -0.6 13 -0.01 14 0.1 15 -0.15 16 -0.15 17 -0.15 18 0.08 19 -0.01 2 1.49 20 -0.15 21 0.1 22 -0.15 23 -0.15 24 -0.15 25 -0.15 26 -0.15 27 0.15 28 0.15 29 0.15 3 -0.53 30 0.15 31 0.4 32 0.15 33 0.15 34 0.45 35 0.5 36 0.15 37 0.15 38 0.5 39 0.15 4 -0.68 5 -0.65 6 -0.65 7 -0.68 8 -0.65 9 -0.65 > 4 > 14 1 10 cation 1 10 donor 1 3 donor 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 7 acceptor 1 8 acceptor 1 9 acceptor 4 1 4 5 6 anion 4 2 7 8 9 anion 6 11 12 13 14 15 16 rings 6 11 12 17 18 19 20 rings 6 21 22 23 24 25 26 rings > 26 > 0 > 0 > 0 > 0 > 0 > 1 > 5 > 01648E5E00000001 > 76.793 > 71.187 > 10411042 1 17762901374207508271 10493431 412 18410294687997518137 10906281 52 18341627996547067660 1100329 8 18409730694372870856 11578080 2 17415547972595346144 12107183 9 18334849473429312954 12236239 1 18131347475508039141 12293681 160 17703508788242040361 12616971 3 17240196669272481284 12633257 1 18260541243023317148 12643181 29 18409736132624355230 12977781 61 17417268592197473526 13140716 1 18263078971673699784 13540713 5 17970066858529417996 13583140 156 16773227535125252342 138480 1 17472982801156564451 14466204 15 18337388223733863777 14790565 3 18337114462549857420 15131766 46 16372716156773922868 15420108 30 18268138774087482527 15664445 248 17337884729162125551 15927050 60 18410855434496690471 1601671 61 18408604734468238052 19141452 34 18408321103554679204 19591789 44 17977668606797852310 20157964 124 18121499056424076709 20554085 129 18199728290173038505 20739085 24 18045230335991011076 20775438 99 16113978161466743143 21033648 29 18272643562904031656 21033650 10 17344938272121074848 21236236 1 18337672022039474519 21298829 104 18197498425064412153 21307412 95 17985854582937280654 21421861 104 17823405025646245466 22182313 1 18128562459683738438 23558518 356 17826798332491663394 23559900 14 18341619218345791870 23569917 315 18411139113113357967 23929065 36 17984678259354545155 25147074 1 17969789772697956596 335352 9 18409449159677497022 34934 24 18334853918382814674 350125 39 18264213672147672163 3680242 22 18187076210114767458 404807 14 15260346500488321846 4073 2 18410855508438549026 474 4 18338798897694872185 484989 97 18193552488559222783 5104073 3 18188482601524968488 5385378 56 18194127317822245393 56616090 46 18411426081215174430 59755656 215 18340493240786646630 59755656 520 18410851049639977863 6328613 192 18410017663098303300 7164475 11 17978792633661084639 7226269 152 18131355193633056576 9981440 41 18410297969885289537 > 496.7 12.72 4.04 0.97 6.64 4.23 -0.17 -10.03 -1.07 -3.5 -0.26 -0.22 -0.07 -0.72 > 1066.874 > 273.8 > 2 5 10 $$$$