16195808 -OEChem-03282415093D 48 50 0 1 0 0 0 0 0999 V2000 -6.1501 -3.2247 1.0904 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.2067 -2.3438 -0.5863 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.1752 -1.3225 1.3331 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8365 2.0310 0.0678 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0832 0.1397 -0.5360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8133 4.3456 1.1186 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4042 4.7258 0.7086 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4375 -3.6699 0.8131 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5874 0.8185 -1.0613 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3269 0.0124 -0.7096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9116 0.9034 -0.8147 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8471 0.0716 -0.6607 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5096 2.2048 -0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3715 2.6893 0.0487 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0779 -0.2306 0.6794 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7672 -0.3092 -1.6348 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2538 0.9376 -0.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2348 -0.9175 1.0475 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9243 -0.9959 -1.2666 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1581 -1.3000 0.0745 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4514 0.0854 -0.3233 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4105 4.0235 0.6491 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3952 -2.0338 0.4678 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9017 -0.0296 0.9869 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0994 -0.5813 -1.3568 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6703 -1.4940 0.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0149 -0.8219 1.2675 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2126 -1.3737 -1.0763 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8607 -2.3405 0.5356 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5988 0.9548 -2.1521 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2291 -0.8606 -1.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3729 -0.3887 0.3115 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9951 1.2781 -1.8449 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4225 2.7953 -0.4815 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3761 0.0654 1.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5991 -0.0798 -2.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3416 1.3678 -1.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2196 1.7712 0.0871 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4092 -1.1484 2.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6316 -1.2855 -2.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3970 0.4874 1.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7497 -0.4965 -2.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3605 -0.9094 2.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7134 -1.8941 -1.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4094 -1.9556 1.4023 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5538 -2.3597 -0.3128 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8278 5.2362 1.5298 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2371 -4.1895 1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 23 1 0 0 0 0 3 23 1 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 5 11 1 0 0 0 0 5 17 1 0 0 0 0 6 22 1 0 0 0 0 6 47 1 0 0 0 0 7 22 2 0 0 0 0 8 29 1 0 0 0 0 8 48 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 22 1 0 0 0 0 15 18 1 0 0 0 0 15 35 1 0 0 0 0 16 19 2 0 0 0 0 16 36 1 0 0 0 0 17 21 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 20 2 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 23 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 24 27 1 0 0 0 0 24 41 1 0 0 0 0 25 28 2 0 0 0 0 25 42 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 27 43 1 0 0 0 0 28 44 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 M END > 16195808 > 1 > 1 2 9 8 10 4 7 3 5 6 > 39 1 -0.34 11 0.56 12 -0.14 13 -0.29 14 0.09 15 -0.15 16 -0.15 17 0.42 18 -0.15 19 -0.15 2 -0.34 20 -0.14 21 -0.14 22 0.71 23 1.16 24 -0.15 25 -0.15 26 -0.14 27 -0.15 28 -0.15 29 0.42 3 -0.34 34 0.15 35 0.15 36 0.15 39 0.15 4 -0.36 40 0.15 41 0.15 42 0.15 43 0.15 44 0.15 47 0.5 48 0.4 5 -0.56 6 -0.65 7 -0.57 8 -0.68 9 0.28 > 7.8 > 10 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 7 acceptor 1 8 acceptor 1 8 donor 3 6 7 22 anion 6 12 15 16 18 19 20 rings 6 21 24 25 26 27 28 rings 6 4 9 10 11 13 14 rings > 29 > 2 > 0 > 0 > 0 > 0 > 1 > 1 > 00F720E000000001 > 66.0802 > 50.859 > 10 15 13614525172941743463 10411042 1 18412825802251130885 11062273 23 18057330487341157777 11297750 10 18335975450350960165 11545043 162 18057875858884252720 117089 54 18195251014844485998 11809386 21 18264766559140437948 11823591 26 9511465493765469341 12166972 35 17894916256118930740 12218070 45 16629664279805439990 12342043 65 17970066858745422567 12516196 113 18341050804096684925 12760667 363 18334576832387718955 13257819 101 11599738242161333497 13540713 4 17415010049922942876 13631057 29 18261110734459447312 13668630 136 17821725018802136918 13673619 4 18114179774530488733 13782708 43 18114461283814449815 14068700 675 18260551117126808972 14211702 104 18265897956864467278 14251764 30 18410574006652921490 14931854 50 17240477000912756931 14955137 171 18339361975991027067 15183329 4 14851598878038134710 15510800 12 18113910346468369802 16120349 189 9799687099804926904 16993427 108 18410567383818989523 17686467 74 18409157806883173240 1813 80 18059592316003453269 19246450 95 18129114351177001931 19301679 30 18270973353170111855 2026 5 17895188862321452434 21033648 29 16271665390541737265 21130935 74 18193279809353755171 21344244 78 17131285674301397361 21639891 77 18410568449330075325 23522609 53 17973480725442331580 23559900 14 17678738071722115725 23569943 247 18335422392092116331 23845131 108 17195749765691181209 2747138 104 18412824681929006122 2748736 6 10015589388999627246 3004659 81 17676486168301779006 312425 54 16200151006270976990 32027 91 18265613380789174987 406291 66 18114457865226736922 4107672 100 17095515155325089725 437815 12 18336267933396291651 5104073 3 18202279166093321792 5385378 56 17911519019185683617 5718773 13 18334856134217018542 58083652 198 18201146741434843373 636775 8 18409455752890815430 7970288 3 18409729581828706594 8863177 126 18117280478862216507 9896288 288 18126849296181773440 > 545.64 21.13 4.45 1.34 13.16 5.05 -0.09 -29.64 4.21 -1.61 2.11 -0.25 -0.21 0.05 > 1174.737 > 300.5 > 2 5 10 $$$$