corina 12080917183D 1 1.00000 0.00000 CORINA 3.46 0026 05.08.2008 13 13 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4759 0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0862 2.2318 0.0301 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7682 3.4762 0.0324 N 0 0 3 0 0 0 0 0 0 0 0 0 0.5924 3.6018 0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0996 2.3132 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3632 4.8536 0.0088 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5781 4.8192 -0.0093 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7225 6.0397 0.0249 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7188 4.5907 0.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5475 7.2346 0.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0650 -0.5986 -0.0113 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0443 -0.6274 0.0087 O 0 0 0 0 0 0 0 0 0 0 0 0 6 7 2 0 0 0 0 2 3 1 0 0 0 0 6 8 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 2 0 0 0 0 8 10 1 0 0 0 0 1 11 1 0 0 0 0 1 5 1 0 0 0 0 1 2 2 0 0 0 0 4 6 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 G 11 1 NO2 M CHG 2 11 1 12 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 11 12 13 M SBL 1 1 8 M SMT 1 NO2 M SBV 1 8 0.5900 -0.5800 M END $$$$