5196606 -OEChem-04252408553D 40 42 0 0 0 0 0 0 0999 V2000 2.0952 0.7277 1.1932 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1454 4.6240 -0.8910 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1311 3.6504 0.9062 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8912 -0.9871 -0.7226 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2102 -0.1186 0.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9223 1.1733 0.5055 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2275 -0.2224 0.0866 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9634 -1.1870 -0.2327 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4309 -1.2700 -0.2632 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6408 2.3251 -0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1432 -1.6920 0.8509 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5568 0.0734 0.5543 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2456 -0.8295 -0.4668 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0842 -0.9149 -1.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5350 -1.7605 0.7917 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8835 0.3398 0.9296 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3012 -1.4877 -1.1343 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4626 -2.0797 2.1242 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3877 3.5777 -0.0645 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4762 -0.9836 -1.4951 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2016 -1.4063 -0.3814 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9093 -0.3249 0.2531 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6242 -1.2272 -0.7659 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6319 1.4591 1.5252 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0081 1.0459 0.5752 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4821 -2.1214 -0.5196 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9622 2.0491 -1.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4249 2.5719 -0.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5323 -0.5831 -2.3117 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1166 -2.0868 1.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1135 1.0430 1.7241 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0898 -2.1945 -1.9317 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7283 -2.8723 1.9457 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9626 -1.2142 2.5711 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1732 -2.4640 2.8645 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9953 -0.7074 -2.4083 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2854 -1.4593 -0.4275 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9432 -0.1330 0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4352 -1.7348 -1.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6351 5.4286 -0.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 2 19 1 0 0 0 0 2 40 1 0 0 0 0 3 19 2 0 0 0 0 4 7 2 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 2 3 0 0 0 6 10 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 14 2 0 0 0 0 10 19 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 15 2 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 13 17 2 0 0 0 0 14 20 1 0 0 0 0 14 29 1 0 0 0 0 15 21 1 0 0 0 0 15 30 1 0 0 0 0 16 22 1 0 0 0 0 16 31 1 0 0 0 0 17 23 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 M END > 5196606 > 0.8 > 1 34 9 32 6 25 26 14 24 8 31 29 20 28 23 5 22 15 33 10 19 12 3 16 2 11 30 7 21 17 27 4 13 18 > 33 1 -0.08 10 0.06 11 -0.14 12 0.04 13 0.23 14 -0.15 15 -0.15 16 -0.15 17 -0.15 18 0.14 19 0.66 2 -0.65 20 -0.15 21 -0.15 22 -0.15 23 -0.15 26 0.15 29 0.15 3 -0.57 30 0.15 31 0.15 32 0.15 36 0.15 37 0.15 38 0.15 39 0.15 4 -0.57 40 0.5 5 -0.09 6 0.14 7 0.33 8 -0.18 9 0.03 > 5 > 7 1 2 acceptor 1 3 acceptor 1 4 acceptor 3 2 3 19 anion 5 1 4 7 12 13 rings 6 12 13 16 17 22 23 rings 6 9 11 14 15 20 21 rings > 23 > 0 > 0 > 0 > 1 > 0 > 1 > 1 > 004F4B3E00000001 > 59.4297 > 35.654 > 10006869 2 17977100168435551961 10366900 7 18409446994803463874 10688039 33 18410855477482377156 11101153 10 18336556014376368276 12236239 1 14490462097767686671 12516196 113 18337952402015854383 12788726 201 18261099738937020515 13540713 4 18059287640361767656 13544653 18 18202285835370066162 13583140 156 14261350202414178426 13911987 19 18189908680400459974 14022347 108 18261098720971749153 14386348 63 18336265733925390234 14508225 48 18410568500642394461 14840074 17 17988646367012445540 15081414 286 18194399120195521345 17357779 13 18342726434174374773 1813 80 18129116643803372823 19141452 34 17774720969212315927 19301676 85 16614497247034978942 200 152 17346877866334820258 20600515 1 18198361700024815507 21033650 10 14058115305517212942 21236236 1 18271526403281840425 21285901 2 18202004321712322094 21304303 282 17754148930747402221 21641784 216 18336844051720190156 22182313 1 17916563394387623488 23175994 123 18335701702156622735 23402539 116 18342453759664963223 23557571 272 18408315584363649620 23558518 356 18117002074180415594 23559900 14 17968373567419554154 23845131 108 17549275735454722305 266924 87 18265045847530798391 283562 15 18410290276865866171 3027735 51 18339644421525228827 314173 85 18411703209394830891 5104073 3 18201152136720616490 5283173 99 18113606881195287013 5969126 39 18342450435275607532 59755656 520 17974567996507726444 68521 5 18409727344160859693 6913067 236 18058714906014293410 7226269 152 18259980457938822821 7399639 24 18129645518087842632 81228 2 18336826403477744897 > 460.46 11.74 3.61 1.39 9.38 6.91 0.22 -8.08 -1.21 -3.62 -0.18 -0.76 -0.5 1.16 > 986.704 > 256 > 2 5 10 $$$$