164533 -OEChem-10081916243D 14 13 0 0 0 0 0 0 0999 V2000 0.3886 -1.2477 0.4579 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9779 0.0592 -1.4335 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.1899 -0.7001 0.3465 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8576 -1.1317 -0.1555 O 0 5 0 0 0 0 0 0 0 0 0 0 2.7018 1.1375 -0.3020 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 1.1510 0.3776 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4884 0.8735 0.7516 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7906 -0.1086 0.2671 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2914 -0.0074 -0.2137 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2471 -0.0256 -0.0959 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4157 1.7921 1.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0077 1.6734 -0.5844 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0232 1.8275 0.8352 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5143 0.4071 1.7452 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 9 1 0 0 0 0 3 9 2 0 0 0 0 4 10 1 0 0 0 0 5 10 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 10 1 0 0 0 0 M CHG 2 2 -1 4 -1 M END > 164533 > 0.6 > 1 13 2 12 14 4 10 11 3 7 6 9 8 5 > 10 1 -0.57 10 0.95 2 -0.9 3 -0.9 4 -0.9 5 -0.9 6 0.06 7 -0.11 8 0.36 9 0.91 > 4 > 7 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 acceptor 3 2 3 9 anion 3 4 5 10 anion > 10 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 000282B500000001 > 10.5178 > 35.65 > 12897270 3 18041273288216113917 12932764 1 17095523959127071160 14325111 11 18408889533459167120 14390081 3 15574711391542116477 15310529 11 18343866614815782461 20653085 51 16950568731346139053 21293036 1 18187651340041649236 23552423 10 18267590113047175874 29004967 10 18410572890145923897 5084963 1 17603875489575878490 > 176.45 4.57 1.19 0.87 0.16 0.07 -0.19 -0.76 -0.48 0.34 0.14 -0.42 0.01 -0.18 > 344.613 > 104.4 > 2 5 10 $$$$