18522 -OEChem-09042103283D 15 15 0 1 0 0 0 0 0999 V2000 -0.5679 1.3317 -0.0327 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9412 -1.7757 0.0941 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5836 0.5962 0.4175 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2478 -0.8861 -0.3445 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7070 0.4772 0.1212 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1856 -0.8136 0.0679 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8123 1.0703 -0.3235 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6763 0.7030 1.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2926 -0.9745 -1.4334 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7870 -1.6993 0.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5416 0.8619 -0.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9993 0.4694 1.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7006 0.5092 -0.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6907 0.9509 -1.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9856 2.1354 -0.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 2 6 2 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 M END > 18522 > 0.4 > 2 1 > 6 1 -0.56 2 -0.57 3 0.34 4 0.06 5 0.28 6 0.45 > 0.8 > 3 1 1 acceptor 1 2 acceptor 5 1 3 4 5 6 rings > 7 > 0 > 1 > 0 > 0 > 0 > 1 > 3 > 0000485A00000002 > 8.8029 > 15.223 > 16714656 1 18049165763058457836 20096714 4 18411420609141859377 21040471 1 18267017434897799137 23552423 10 18334859445894837958 29004967 10 18187655720987419177 5943 1 10856033610334054096 > 132.32 2.02 1.6 0.65 0.4 0.51 0 -0.48 0.24 0 -0.05 0.02 -0.02 -0.11 > 261.491 > 81.8 > 2 5 10 $$$$