IFLAB-ZINC05258505 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 40 0 0 1 0 0 0 0 0999 V2000 0.2370 1.3870 -0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 0.0060 -0.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 -0.6800 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1490 0.0150 0.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 1.3950 0.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 2.0860 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 3.4860 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 4.1470 -0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 3.5320 -0.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 5.6500 -0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4670 6.1450 -0.2700 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0320 5.7650 0.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4840 7.6520 -0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9560 8.2620 -1.1820 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5380 5.5820 -1.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1360 5.0780 -2.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6580 4.9940 -2.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1690 -0.7230 1.4920 N 0 3 0 0 0 0 0 0 0 0 0 0 3.9950 -0.1110 2.1460 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1820 -1.9400 1.4800 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2320 -2.4160 -0.0470 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5060 1.9220 -1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 -0.5390 -1.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8670 1.9370 1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9920 3.9800 0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4580 6.0800 0.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 5.9550 -1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9380 6.5700 -1.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7960 4.8930 -0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8780 5.7670 -3.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7350 4.0890 -2.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9160 4.3040 -1.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0580 5.9820 -2.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8280 3.6230 -4.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 8.3160 0.7980 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0770 5.6630 -1.5160 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8120 6.2450 -2.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2320 4.5090 -3.8370 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2370 4.4450 -3.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0090 9.2820 0.7640 H 0 0 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 23 1 0 0 0 0 3 4 1 0 0 0 0 3 21 1 0 0 0 0 4 5 2 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 25 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 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 36 1 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 34 38 1 0 0 0 0 35 40 1 0 0 0 0 36 37 1 0 0 0 0 38 39 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END