IFLAB-ZINC04356898 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 0 0 1 0 0 0 0 0999 V2000 -1.0180 0.4090 0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 -0.8060 0.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7620 -1.1350 0.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7090 -0.2510 0.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2720 0.9710 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0850 1.2970 -0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -0.6200 0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7400 -0.8590 -1.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7420 0.1200 -1.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2450 -1.2350 -1.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6730 -1.6910 -2.1080 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 -1.7710 -1.8320 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2110 -1.2300 -2.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1580 -0.0390 -3.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4810 -2.2840 -3.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7720 -2.2060 -4.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6460 -1.0520 -5.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4590 -0.6330 -6.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 0.5500 -7.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2090 0.7880 -6.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6710 -0.1740 -5.8740 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6260 -3.7840 -2.8100 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7270 -3.1250 -1.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3730 -4.1040 -0.4180 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0740 0.6620 0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 -1.5000 1.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0760 -2.0870 1.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9870 1.6690 -0.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4130 2.2430 -0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7310 0.1940 0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3450 -1.4930 1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 -3.0890 -5.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 -1.1270 -6.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7200 1.1500 -7.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9230 1.5530 -6.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8760 -1.0240 0.0670 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 10 11 2 0 0 0 0 10 36 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 19 20 2 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 M CHG 1 36 -1 M END