IFLAB-ZINC05258653 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 38 0 0 1 0 0 0 0 0999 V2000 0.0000 1.5200 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.0090 0.0010 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0000 -0.3880 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 -0.5130 1.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 -2.5020 2.4270 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2730 -1.8520 3.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 -3.9140 2.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4880 -3.8560 3.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0660 -2.7900 3.1470 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1460 -4.9880 3.4360 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4580 -4.9240 3.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9210 -3.7740 4.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2210 -3.7120 4.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0720 -4.7940 4.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6290 -5.9450 4.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3190 -6.0200 3.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8550 -7.2100 3.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4870 -8.1550 2.5800 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9540 -2.5430 2.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3870 -2.1770 1.0940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7010 -0.4720 -1.1680 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0220 1.8990 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 1.8790 -0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 1.8730 0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7760 -0.1340 1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 -0.1600 2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0850 -4.5420 1.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5460 -4.3340 3.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7080 -5.8480 3.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2640 -2.9260 4.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5760 -2.8150 5.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0860 -4.7360 5.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2970 -6.7860 4.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6180 -0.1720 -1.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 -1.9820 1.2420 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1590 -2.3570 1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7930 -2.9870 3.1100 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7360 -2.9950 2.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 21 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 19 1 0 0 0 0 5 35 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 7 28 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 29 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 17 18 3 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 21 34 1 0 0 0 0 35 36 1 0 0 0 0 37 38 1 0 0 0 0 M END