corina 01071115013D 1 1.00000 0.00000 CORINA 3.46 0026 05.08.2008 20 21 0 0 0 0 0 0 0 0999 V2000 -0.0217 1.7508 0.0117 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6800 1.8468 -0.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2342 0.6037 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2511 -0.4541 -0.0123 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 -1.2250 -0.8788 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4645 3.1335 -0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4280 -2.8411 -0.0862 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0491 -2.6076 -0.0711 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1638 -3.6905 -0.0672 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6559 -4.9785 -0.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0219 -5.2012 -0.0928 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9044 -4.1350 -0.0963 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5323 -1.2298 -0.0588 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2014 -1.0086 -0.0442 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6872 0.3621 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4610 1.3029 -0.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5417 -6.5871 -0.1042 N 0 3 0 0 0 0 0 0 0 0 0 0 6.7680 -7.5278 -0.1008 O 0 5 0 0 0 0 0 0 0 0 0 0 8.7432 -6.7868 -0.1170 O 0 0 0 0 0 0 0 0 0 0 0 0 5 1 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 5 6 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 4 5 2 0 0 0 0 9 14 1 0 0 0 0 2 7 1 0 0 0 0 14 15 2 0 0 0 0 2 3 2 0 0 0 0 15 16 1 0 0 0 0 16 3 1 0 0 0 0 1 2 1 0 0 0 0 16 17 2 0 0 0 0 12 18 1 0 0 0 0 8 9 2 0 0 0 0 3 4 1 0 0 0 0 9 10 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 G 18 12 NO2 M CHG 2 18 1 19 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 18 19 20 M SBL 1 1 16 M SMT 1 NO2 M SBV 1 16 -0.8200 0.0000 M END $$$$