1066 -OEChem-03282406243D 17 17 0 0 0 0 0 0 0999 V2000 1.9944 -1.2138 -1.2007 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1226 2.8817 -0.0151 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1595 -1.2290 1.0663 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7528 1.5979 0.0233 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7089 0.9004 -0.0089 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -0.7503 0.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4014 0.5571 0.0094 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8871 -1.7711 0.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2417 -1.4577 0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5973 -0.1187 -0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4743 -1.0795 0.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5211 1.6830 0.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5795 -2.8133 0.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9953 -2.2369 0.0144 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6407 0.1786 -0.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9497 -1.4357 -1.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5069 3.6342 -0.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 16 1 0 0 0 0 2 12 1 0 0 0 0 2 17 1 0 0 0 0 3 11 2 0 0 0 0 4 12 2 0 0 0 0 5 7 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 M END > 1066 > 0.6 > 1 3 2 > 17 1 -0.65 10 0.16 11 0.63 12 0.63 13 0.15 14 0.15 15 0.15 16 0.5 17 0.5 2 -0.65 3 -0.57 4 -0.57 5 -0.62 6 0.09 7 0.4 8 -0.15 9 -0.15 > 2 > 8 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 acceptor 3 1 3 11 anion 3 2 4 12 anion 6 5 6 7 8 9 10 rings > 12 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0000042A00000001 > 39.2582 > 40.731 > 1 1 17834674177120345669 12423570 1 11165457610114188554 12524768 44 18342459244190351207 161256 15 18193288596397679183 16945 1 18194402186727765339 17990270 104 18341617082760822711 193761 8 18338516464555358577 21040471 1 16969422400851449201 22802520 49 17482282508689475582 2334 1 18410292536303402813 23552423 10 18118685654347656039 23559900 14 17119730584757677174 241688 4 18410857616338953265 2748010 2 18410853257100173837 > 218.5 3.01 2.5 0.75 1.05 1.16 0.04 -0.66 -0.03 -0.95 0 -0.29 -0.29 0.01 > 466.507 > 119.7 > 2 5 10 $$$$