3765 -OEChem-03292400593D 18 18 0 0 0 0 0 0 0999 V2000 -2.2758 1.0943 -0.5206 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4529 -0.9876 0.4397 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4811 0.0501 -0.3278 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3806 1.2796 0.1414 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8587 1.0841 0.5036 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3348 -0.0292 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8216 -1.2484 -0.1317 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3192 -1.1943 -0.1083 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7977 -0.0485 0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3088 1.8310 -0.8046 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0912 1.8922 0.9186 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3912 2.0307 0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9603 0.8218 1.5646 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1690 -1.7004 0.8052 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1365 -1.9111 -0.9451 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4688 -0.0341 -0.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 -2.1397 -0.1849 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2565 1.1156 -0.5295 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 18 1 0 0 0 0 2 9 2 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 16 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 17 1 0 0 0 0 M END > 3765 > 0.4 > 1 3 2 > 12 1 -0.65 16 0.36 17 0.15 18 0.5 2 -0.57 3 -0.9 4 0.14 5 0.27 6 -0.12 7 0.41 8 -0.29 9 0.71 > 1.8 > 6 1 1 acceptor 1 2 acceptor 1 3 cation 1 3 donor 3 1 2 9 anion 6 3 4 5 6 7 8 rings > 9 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 00000EB500000001 > 8.7446 > 30.497 > 10857977 72 18261670492803872299 12897270 3 18410575071783471436 14325111 11 18410855494614663120 14390081 3 18411975858329812173 16945 1 18265330784129304030 19973954 147 18409449180604038117 21040471 1 18339639074422209488 23402655 69 18269821035695099613 23552423 10 18187651271243129110 2748010 2 18411417302038062652 29004967 10 18413110554313690514 5084963 1 18340773752946812657 > 168.5 3.39 1.49 0.67 0.77 0.01 -0.01 -0.04 0.06 -0.28 -0.03 0.02 0.03 0.36 > 338.242 > 98.4 > 2 5 10 $$$$