scheme 1 MDL mole file.mol ChemDraw03111011512D 29 32 0 0 0 0 0 0 0 0999 V2000 -0.7666 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7666 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0521 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6624 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6624 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0521 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3790 -0.0018 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0913 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0913 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3768 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3768 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3790 -0.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7921 -1.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9679 -1.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4810 1.6500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4810 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4810 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1955 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1955 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4810 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7666 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7666 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9100 -2.4750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0521 -0.8250 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0521 -0.8852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1566 -0.8852 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8058 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8058 1.7705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9100 1.5898 0.0000 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