378 -OEChem-03112020473D 20 20 0 0 0 0 0 0 0999 V2000 3.1682 -0.2266 0.0679 P 0 0 0 0 0 0 0 0 0 0 0 0 1.9815 0.8745 0.0657 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0733 -0.9125 -1.3939 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5011 0.6840 -0.0453 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1611 -1.1738 1.2325 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2909 0.6720 -0.0161 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.8361 -1.4755 -0.0375 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4687 -0.2759 -0.0177 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6499 0.5932 0.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0796 0.0181 0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2819 1.6314 0.0456 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2168 -0.7326 0.0237 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6466 1.3438 0.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1480 -1.0201 0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0502 2.6659 0.0623 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9035 -1.5715 0.0184 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3436 2.1779 0.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4493 -2.0645 -0.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6654 -1.6659 -1.6036 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3781 0.2527 0.0375 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 2 9 1 0 0 0 0 3 19 1 0 0 0 0 4 20 1 0 0 0 0 6 8 1 0 0 0 0 7 8 2 0 0 0 0 8 10 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 12 14 2 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 M CHG 2 6 -1 8 1 M END > 378 > 0.6 > 1 2 > 20 1 1.51 10 0.13 11 -0.15 12 -0.15 13 -0.15 14 -0.15 15 0.15 16 0.15 17 0.15 18 0.15 19 0.5 2 -0.35 20 0.5 3 -0.77 4 -0.77 5 -0.7 6 -0.52 7 -0.52 8 0.91 9 0.08 > 3 > 8 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 6 anion 1 7 acceptor 4 1 3 4 5 anion 6 9 10 11 12 13 14 rings > 14 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0000017A00000001 > 4.1945 > 40.716 > 10130415 120 18409446998686643025 11132069 177 18342737403673595579 11401426 45 18411695496018591621 11543360 7 15719680960546163779 11769659 78 18261104171216733955 12032990 46 18412832403836917111 14115302 16 17531254980350728850 14144814 61 18409166584730189866 14252887 29 18201729469902189962 14325111 11 18410292480294845608 16945 1 18339362963706761689 18186145 218 18259702298249584005 20281407 28 18342178860129818675 20510252 161 18202284658596766560 20645476 183 17604164716932155006 22485316 2 18334853922239685217 23402539 116 18341603832649252925 23463225 33 18335417954472104576 23559900 14 18342741767703435310 2748010 2 18193274332816381955 7364860 26 18126566949506686288 > 251.77 7.51 1.46 0.78 0.57 0.13 -0.05 -1.13 -0.11 -0.38 0.04 0.64 -0.2 -0.06 > 510.51 > 147 > 2 5 10 $$$$