140734 -OEChem-03292400563D 16 20 0 1 0 0 0 0 0999 V2000 -1.2108 0.1059 0.7340 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2108 0.1061 -0.7340 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2107 0.1057 0.7340 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2109 0.1059 -0.7339 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0002 0.9879 -0.8027 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 0.9877 0.8029 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8215 -1.1995 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8212 -1.1997 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1034 0.3339 1.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1034 0.3343 -1.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1032 0.3334 1.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1035 0.3338 -1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0003 1.9564 -1.2974 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0002 1.9561 1.2979 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4448 -2.0717 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4443 -2.0720 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 M END > 140734 > 0.4 > 1 > 14 1 -0.18 10 0.1 11 0.1 12 0.1 15 0.1 16 0.1 2 -0.18 3 -0.18 4 -0.18 5 0.15 6 0.15 7 -0.1 8 -0.1 9 0.1 > 0 > 1 8 1 2 3 4 5 6 7 8 rings > 8 > 0 > 4 > 0 > 0 > 0 > 1 > 1 > 000225BE00000001 > 86.7206 > 5.074 > 12423570 1 10750410498922179354 13024252 1 13558578568172121070 137420 1 10999509101685941029 16945 1 18410855460128181286 21040471 1 18410573942397028453 29004967 10 17676787425486339993 369184 2 17342065149764281978 > 164.64 1.52 1.23 1.05 0 0.19 0 0.12 0 0 0 0 -0.19 0 > 399.179 > 79.9 > 2 5 10 $$$$