IFLAB-ZINC02458615 MOE2007 3D CORINA 3.40 0006 02.08.2006 21 22 0 0 0 0 0 0 0 0999 V2000 0.0190 1.3590 0.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -0.0620 0.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2100 -0.4850 -0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2310 0.8080 -0.5220 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 1.9800 0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4760 3.3710 0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6850 3.8380 0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9370 5.2890 0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0280 5.7590 0.6550 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8780 6.0720 -0.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 7.0700 -0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6350 5.6020 -0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 6.3550 -0.7150 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4830 4.2410 -0.3090 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4280 3.8770 -0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5110 -1.8980 -0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6280 -2.7550 -0.0290 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8000 1.8960 1.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7260 -0.7350 0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5060 3.2170 0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6300 -2.1850 -0.8960 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 18 1 0 0 0 0 2 3 2 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 3 16 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 M CHG 1 17 -1 M END