13162550 -OEChem-03282409113D 37 39 0 0 0 0 0 0 0999 V2000 3.1320 2.3316 0.9461 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5184 1.8826 -1.4204 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4316 -1.3333 0.9054 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1117 -0.6688 -0.9999 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7857 -2.3572 1.1093 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3409 -2.4893 0.6325 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6704 -1.0811 0.2697 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5162 -1.2207 0.4348 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2233 0.2055 0.2153 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4627 0.3687 -0.4382 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4864 0.0403 1.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2023 -1.4598 -0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3368 -2.1520 -0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5733 1.3107 0.7905 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1608 1.0903 0.3856 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0113 1.6470 -0.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8766 -0.4096 -1.3678 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5439 -1.8944 -0.9253 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8559 0.8654 -0.8026 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1449 2.5781 0.7218 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3655 2.7459 0.0798 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8107 -2.2105 2.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3203 -3.2977 0.9247 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3621 -2.6987 -0.4454 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1017 -3.3615 1.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1271 -0.6923 1.6262 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9549 0.2210 1.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2221 -2.4489 -1.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9682 -3.1708 -0.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6150 1.2276 1.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9665 1.8051 -0.9895 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4138 -0.5987 -2.2934 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1121 -2.6927 -1.3916 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6392 3.4304 1.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8185 3.7313 0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6485 2.9337 0.3827 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9406 1.5417 -2.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 36 1 0 0 0 0 2 19 1 0 0 0 0 2 37 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 26 1 0 0 0 0 4 10 1 0 0 0 0 4 18 2 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 13 2 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 16 2 0 0 0 0 11 15 1 0 0 0 0 11 27 1 0 0 0 0 12 17 2 0 0 0 0 12 28 1 0 0 0 0 13 18 1 0 0 0 0 13 29 1 0 0 0 0 14 20 1 0 0 0 0 14 30 1 0 0 0 0 15 19 2 0 0 0 0 16 21 1 0 0 0 0 16 31 1 0 0 0 0 17 19 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 M END > 13162550 > 0.6 > 1 16 34 35 30 50 29 31 4 27 40 19 37 32 11 36 18 62 46 8 23 28 10 55 17 41 44 43 53 42 33 7 3 61 25 24 39 45 58 9 54 38 51 56 15 26 5 48 49 52 57 13 60 2 12 6 14 59 22 20 47 21 > 32 1 -0.53 10 0.31 11 -0.15 12 -0.15 13 -0.15 14 -0.15 15 0.08 16 -0.15 17 -0.15 18 0.16 19 0.08 2 -0.53 20 -0.15 21 -0.15 26 0.4 27 0.15 28 0.15 29 0.15 3 -0.87 30 0.15 31 0.15 32 0.15 33 0.15 34 0.15 35 0.15 36 0.45 37 0.45 4 -0.62 5 0.14 6 0.37 7 0.1 8 -0.14 > 4 > 8 1 1 donor 1 2 donor 1 3 cation 1 3 donor 1 4 acceptor 6 4 7 9 10 13 18 rings 6 8 11 12 15 17 19 rings 6 9 10 14 16 20 21 rings > 21 > 0 > 0 > 0 > 0 > 0 > 1 > 54 > 00C8D83600000001 > 71.2755 > 40.632 > 10498660 4 18410289250299863593 10670039 82 18261118504108345540 10708813 3 18333454218199722413 10764073 3 17624376855372309106 11640471 11 18113621166082303350 12173636 292 18269541785289713519 12596599 1 17988371355850848888 13583140 156 17100029608250316747 14123250 116 18338803320983640609 14739800 52 18121202437197417648 14787075 74 18114463452994669067 14790565 3 18127690436322390801 14931854 50 18411982463952850708 17980427 23 17979881996545547146 21421566 26 17630598136463750207 21864079 5 18261398827611645322 221357 26 18272656770081238998 22393880 68 18413390917257965892 22749437 52 18260828219731528708 23227448 37 18412822456898316629 235170 7 17274830181107814828 23557571 272 17774140362563659130 23559900 14 17986667078304995262 2637199 183 18264784168147726906 4028521 119 18410856576862019287 46194498 28 17845386586298616054 474 4 17895194368014948195 5048184 11 18336551512311365457 5262128 65 17775299239608870184 526903 126 18410570721219029617 5895379 119 18128531570811026466 6034566 193 17242760772404783340 6328613 192 17896045494323216012 9709674 26 18343299305433612968 9981440 41 18261104240300559242 > 410.47 9.27 3.28 1.21 1.95 0.45 -0.13 3.56 -3.46 -1 0.43 0.8 -0.03 -1.04 > 900.686 > 221 > 2 5 10 $$$$