59213168 -OEChem-04192415553D 51 54 0 0 0 0 0 0 0999 V2000 -6.3012 -1.8749 0.6294 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3395 2.9011 -1.0599 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9984 -0.3129 0.2345 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6331 0.9099 0.7190 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1075 -0.8376 -0.8546 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7630 1.0303 1.7119 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1761 -1.5731 -0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2354 0.3024 0.7275 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9006 0.4910 -0.0896 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0680 -2.5146 0.3013 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0716 -0.7393 1.4627 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6053 -0.0081 0.0476 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5110 0.7939 -0.2758 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1014 1.7923 -0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7118 2.0952 -0.7364 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8179 0.2605 -0.1274 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0072 2.5943 -0.8735 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2904 -0.7496 0.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8658 0.3797 0.8289 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3471 -1.3412 -0.7212 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5835 -1.2849 0.2661 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7354 -2.4735 -1.4332 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9448 -2.4171 -0.4573 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0194 -3.0118 -1.3078 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8216 0.6440 3.1043 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6199 2.0896 1.2278 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7990 2.8542 -2.4087 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2234 -2.0755 -0.6995 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6458 -1.3492 -1.4658 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8091 0.6908 -0.1231 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0224 1.1295 1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5732 -2.8471 1.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2987 -3.4052 -0.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0447 -0.3158 1.7306 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5830 -1.0612 2.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4486 -1.0173 0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0959 2.2089 -0.6821 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1714 3.6063 -1.2338 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3272 -0.8444 0.9244 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0298 -2.9578 -2.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9423 -2.8341 -0.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2932 -3.8960 -1.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7344 1.0067 3.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8065 -0.4458 3.2155 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9639 1.0559 3.6462 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1307 2.6072 2.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0357 2.8397 0.6833 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3856 1.6937 0.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6588 3.5235 -2.5004 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 3.1972 -3.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1151 1.8421 -2.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 15 1 0 0 0 0 2 27 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 16 1 0 0 0 0 4 19 2 0 0 0 0 5 16 2 0 0 0 0 5 20 1 0 0 0 0 6 19 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 10 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 11 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 12 2 0 0 0 0 9 14 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 17 2 0 0 0 0 14 37 1 0 0 0 0 15 17 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 2 0 0 0 0 20 22 2 0 0 0 0 21 23 1 0 0 0 0 21 39 1 0 0 0 0 22 24 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 M END > 59213168 > 0.8 > 1 19 2 12 11 15 7 9 16 18 4 13 6 8 17 14 10 3 5 > 32 1 -0.56 10 0.28 11 0.28 12 -0.15 14 -0.15 15 0.08 16 0.62 17 -0.15 19 0.41 2 -0.36 20 0.31 21 -0.15 22 -0.15 23 -0.15 24 -0.15 25 0.37 26 0.37 27 0.28 3 -0.84 36 0.15 37 0.15 38 0.15 39 0.15 4 -0.62 40 0.15 41 0.15 42 0.15 5 -0.62 6 -0.84 7 0.37 8 0.37 9 0.1 > 5.2 > 9 1 1 acceptor 1 2 acceptor 1 3 cation 3 4 5 16 cation 3 4 6 19 cation 6 1 3 7 8 10 11 rings 6 18 20 21 22 23 24 rings 6 4 5 16 18 19 20 rings 6 9 12 13 14 15 17 rings > 27 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0387857000000001 > 129.3113 > 45.845 > 10165383 225 18058448880483547752 10169797 241 16953403457364862363 10369192 42 18129366272416112152 11370993 144 17917150494715062809 11545043 162 18337670789467899306 11763715 3 16733814269528345264 11796584 16 17757269284944808358 12035758 1 17987778741365916842 12422481 6 18273498970687933607 12553582 1 18040434378509449259 12616971 3 16487247751236628058 12623949 98 18131080324268483726 12633257 1 16559026073895675991 12892183 10 17917992789246723897 13402501 40 18341339894251703047 13540713 4 18268418058267265284 13544653 18 18272366469247408973 13673619 4 18199477571531305366 13782708 43 18339359644119684642 14790565 3 17623282084855774424 14863182 85 18341056336362722124 14950920 106 17489872605302519019 15324884 4 18124851509799155908 15342816 4 17676199165512436176 15475509 84 17059503911046180400 16126227 98 17696462259197553432 17138139 8 16298961981528318667 17349148 13 16950282875624053963 17492 89 18120105120366559603 17913733 40 17560502006882135890 1813 80 17894349990672328661 18222031 100 18113056034454144773 18785283 64 18272922831185137512 19141452 34 18343306942692645311 1979834 28 18341330114510430136 21049683 271 18342747291611691492 21065201 7 18116146667039766304 21756936 100 15553305094561683024 21968339 14 12829494778942772798 22122407 14 16414909752270649641 221490 88 18271803459275215254 22182313 1 18338221674916488109 23557571 272 18335137536062980868 23559900 14 18266454309193701284 25222932 49 17677880400395620002 3004659 81 17676212385759318567 312425 54 18202008716134006443 316301 35 18337671919208634010 3178227 256 17989485217734864682 350125 39 18273494581400057966 5104073 3 18272083851387242626 613672 6 18261379084100724791 636775 8 17841446834959894606 6371380 46 17694219967966323777 7399639 24 18341315756946436440 7495541 125 18341894031464391630 7970288 3 18261117383133145059 8863177 126 18342460296610793766 9841814 1 17749107837210829209 > 523.98 13.09 3.48 1.82 12.4 0.08 -0.71 -9.13 -5.6 -1.2 1.79 -1.98 0.91 3 > 1141.238 > 285.4 > 2 5 10 $$$$