scheme 1 MDL mole file.mol corina 03241010323D 1 1.00000 0.00000 CORINA 3.46 0026 05.08.2008 29 32 0 0 0 0 0 0 0 0999 V2000 0.5248 0.0658 -1.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5385 -0.8179 0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5162 -0.7190 1.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4918 0.2660 0.9403 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4695 1.1506 -0.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4775 1.0391 -1.1308 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4710 0.3773 1.9051 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4323 1.3090 1.8583 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5129 2.2309 0.8348 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5096 2.1891 -0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5383 2.9818 -1.1676 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4591 -0.5627 3.0287 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5885 -1.5924 3.1004 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5597 -0.4190 4.0818 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4318 -0.0463 -1.9708 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4387 -1.8059 0.1568 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6220 -1.5515 0.8547 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6260 -2.5102 0.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7953 -2.2552 1.5869 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9652 -1.0463 2.2387 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9667 -0.0902 2.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7943 -0.3409 1.5149 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0516 -3.4521 1.6378 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5210 -1.6596 2.1792 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7672 -1.4799 3.1189 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2788 -2.6131 2.1800 O 0 5 0 0 0 0 0 0 0 0 0 0 5.5825 3.2383 0.8199 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4056 3.2642 1.7142 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6510 4.1338 -0.1854 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 5 1 0 10 11 2 0 12 13 1 0 12 14 1 0 14 13 1 0 1 15 1 0 2 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 17 1 0 19 23 1 0 7 12 1 0 24 26 1 0 24 25 2 0 3 24 1 0 27 28 2 0 27 29 1 0 9 27 1 0 M CHG 2 24 1 26 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 24 25 26 M SBL 1 1 29 M SMT 1 NO2 M SBV 1 29 -6.9180 7.1508 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 3 27 28 29 M SBL 2 1 32 M SMT 2 CO2H M SBV 2 32 -6.2035 8.3883 M END $$$$