23723772 -OEChem-05102419033D 41 43 0 1 0 0 0 0 0999 V2000 6.3310 -1.9784 0.7368 F 0 0 0 0 0 0 0 0 0 0 0 0 7.0935 0.0433 0.5488 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6484 -1.1180 -1.2350 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6352 2.4179 -0.0907 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1522 -1.3595 0.4220 N 0 0 2 0 0 0 0 0 0 0 0 0 -0.2204 0.2305 0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8644 1.0299 -0.0663 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6538 -0.2429 -0.3885 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7693 -1.6891 0.0341 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8495 -0.4896 0.0219 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3739 0.8110 -0.0714 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4603 -0.6743 0.0387 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5038 1.9082 -0.1086 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0142 -2.5323 0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6019 0.4239 -0.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1232 1.7139 -0.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7875 1.2028 -0.0268 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1787 0.6792 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2136 1.4602 0.4986 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4495 -0.5927 -0.5207 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7898 -0.3025 0.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5192 0.9694 0.5085 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7550 -1.0836 -0.5108 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1856 -0.8273 0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1512 1.3962 0.9278 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1290 1.8036 -0.7969 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7117 -0.0517 -0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5807 -0.4745 -1.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7430 -2.1424 -0.9661 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3746 -2.4219 0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0546 -1.6827 0.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8998 2.9194 -0.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0304 -2.3052 0.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6501 -3.3550 0.9053 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0692 -2.8842 -0.7565 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5255 2.6137 -0.1147 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0571 -0.7426 0.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0225 2.4515 0.9012 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6828 -1.2206 -0.9644 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3116 1.5919 0.9147 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9581 -2.0726 -0.9131 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 24 1 0 0 0 0 3 24 1 0 0 0 0 4 17 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 14 1 0 0 0 0 6 15 1 0 0 0 0 6 17 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 15 2 0 0 0 0 12 31 1 0 0 0 0 13 16 2 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 22 1 0 0 0 0 19 38 1 0 0 0 0 20 23 2 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 M END > 23723772 > 0.8 > 1 6 4 3 2 5 > 32 1 -0.34 10 -0.14 11 -0.14 12 -0.15 13 -0.15 14 0.27 15 0.12 16 -0.15 17 0.54 18 0.09 19 -0.15 2 -0.34 20 -0.15 21 -0.14 22 -0.15 23 -0.15 24 1.16 3 -0.34 31 0.15 32 0.15 36 0.15 37 0.37 38 0.15 39 0.15 4 -0.57 40 0.15 41 0.15 5 -0.81 6 -0.55 7 0.14 8 0.27 9 0.41 > 4.8 > 6 1 4 acceptor 1 5 cation 1 6 donor 6 10 11 12 13 15 16 rings 6 18 19 20 21 22 23 rings 6 5 7 8 9 10 11 rings > 24 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 0169FEFC00000001 > 63.8417 > 30.468 > 10 15 18201427109106005392 10299344 5 18259989262611282166 10411042 1 18265053717081333819 10595046 47 18261115162602741724 11315181 36 18412829088502219793 11524674 6 16988843895572881599 11578080 2 16556759010454406442 11646440 116 16917066655361331498 11719270 70 18202562852667011870 12166972 35 18187368748236941516 12236239 1 18040436594195628701 125118 31 10303812090503723506 12516196 113 18272651242674808208 12616971 3 17131542916645479124 12760667 363 18343301488004830623 13288520 33 18409167714881796429 13402501 40 18412827979741287318 13533116 47 18270119144368055832 13668630 136 18343587330467669126 13685833 64 18341896294310575002 13782708 43 18343298171498865299 13862211 1 18409449206732323643 13885169 127 18412544285242385081 14178184 131 18128255778251342927 14251764 18 18273215309203571408 14294032 229 16806996651414334117 14341114 176 18343302599599942361 14556957 393 15502664749655158655 15048467 5 9583523113973822235 15183329 4 18260545597945887267 15419008 91 18266437910719297928 17844677 252 18412832390752139905 17857418 61 18409166593125146915 18222031 100 17530962497130382116 18681886 176 18335415802709541240 19489759 90 18113337501384213797 21049683 271 18340208583424792424 21130935 74 18343302569535139130 21150785 3 16515406287195249038 21267235 1 18412268341165128309 21623969 137 17775569727727071622 22224240 67 16773789303989125926 23035841 295 18334857203768889713 23198884 109 15502095237381825149 23522609 53 18119562935583450189 23559900 14 18337948013002539105 23569943 247 17825380787384777338 3004659 81 18114180852055797420 335352 9 18409165494716306477 3383291 50 18261956357770845499 4073 2 18187368773932392202 4214541 1 18411981338945751025 4340502 62 14836405826740047060 465052 167 18272934912775069454 5104073 3 18201718453010623505 559249 180 18409165507310667831 5718773 13 18409163294733097698 59682541 35 18202270413265977106 59682541 52 13262669293659956880 59755656 215 18408323259106502926 6138700 20 18335138692110699539 636775 8 18335996336417763134 7495541 125 17775000232338638025 999808 66 17968387827133289051 > 456.26 20.53 2.16 0.73 5.7 0.12 0.04 11.44 -0.73 -1.71 -0.12 0.45 0.09 0.76 > 988.53 > 250.9 > 2 5 10 $$$$