IFLAB-ZINC02455631 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 26 0 0 0 0 0 0 0 0999 V2000 -0.0390 1.2330 0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -0.1600 0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2890 -0.7740 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4160 0.0100 -0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3570 1.4080 -0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 1.9930 -0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8890 3.4220 -0.2960 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8330 4.0470 0.7710 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 3.8750 -1.4250 O 0 5 0 0 0 0 0 0 0 0 0 0 3.8280 2.3350 -0.9370 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6070 3.7410 -0.4700 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 2.2590 -2.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7440 2.6130 -3.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7650 1.9090 -3.2630 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6670 -0.7050 -0.4610 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5430 -0.5050 0.3890 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7370 -1.4950 -1.4110 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.1740 -0.9830 0.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8330 -1.3730 -0.6200 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8910 -2.1260 1.1900 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0890 -0.3170 1.2620 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9990 1.7270 0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3770 -1.8580 0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2080 1.2390 -2.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6730 2.9330 -2.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5940 3.5390 -4.3540 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 22 1 0 0 0 0 2 3 2 0 0 0 0 2 18 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 14 2 0 0 0 0 13 26 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M CHG 1 15 1 M CHG 1 17 -1 M CHG 1 26 -1 M END