IFLAB-ZINC04496971 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 0 0 0 0 0999 V2000 0.5060 1.2100 -0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4400 -0.2950 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4420 -1.0170 -1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3820 -2.3960 -1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 -3.0590 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 -2.3310 1.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3820 -0.9520 1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -4.4560 0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 -5.3110 -1.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 -6.6860 -0.6200 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1370 -7.4970 -1.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1940 -6.6600 0.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 -5.1880 1.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4020 -4.7340 2.2880 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7860 -6.7920 -0.6550 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3720 -8.0030 -0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6890 -9.0080 -0.7760 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8460 -8.1100 -0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6110 -7.6020 0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9860 -7.7050 0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6070 -8.3100 -0.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8550 -8.8160 -1.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4790 -8.7140 -1.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6760 -9.2500 -2.9790 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.2300 -9.7650 -3.9330 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4600 -9.1750 -2.9480 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.5040 1.6170 -0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.5740 0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 1.5260 -0.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 -0.5010 -2.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3830 -2.9590 -2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2670 -2.8430 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3840 -0.3860 2.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 -4.9010 -1.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 -5.4040 -1.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 -7.1550 1.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 -7.1320 0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3310 -5.9900 -0.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1280 -7.1300 1.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5800 -7.3120 1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6840 -8.3880 -0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3450 -9.2880 -2.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M END