corina 12080917183D 1 1.00000 0.00000 CORINA 3.46 0026 05.08.2008 24 26 0 0 0 0 0 0 0 0999 V2000 -0.0167 1.3786 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1695 2.0885 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3778 1.4171 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3989 0.0294 -0.0206 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2068 -0.6799 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5854 -0.6334 -0.0359 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2259 -2.1868 -0.0217 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5340 -2.7051 1.2126 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5100 -2.6912 -1.2482 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 -3.4758 2.1628 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0936 -3.7202 3.1325 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0165 -3.0843 2.7168 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7439 -2.4712 1.5534 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0490 -3.4554 -2.2151 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0281 -3.6973 -3.1628 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0737 -3.0664 -2.7183 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7759 -2.4587 -1.5583 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3414 -3.0638 3.4345 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4146 -3.0448 -3.4057 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0003 2.3884 -0.0239 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 2.0997 0.0320 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.3547 1.4753 0.0437 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3268 3.3176 0.0387 O 0 0 0 0 0 0 0 0 0 0 0 0 6 1 1 0 0 0 0 1 2 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 9 1 0 0 0 0 10 15 2 0 0 0 0 4 7 1 0 0 0 0 3 4 2 0 0 0 0 5 8 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 10 1 0 0 0 0 8 9 1 0 0 0 0 13 19 1 0 0 0 0 4 5 1 0 0 0 0 17 20 1 0 0 0 0 8 10 1 0 0 0 0 3 21 1 0 0 0 0 1 22 1 0 0 0 0 9 11 2 0 0 0 0 2 3 1 0 0 0 0 5 6 2 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 G 22 1 NO2 M CHG 2 22 1 23 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 22 23 24 M SBL 1 1 21 M SMT 1 NO2 M SBV 1 21 0.7200 -0.4100 M END $$$$