CHEMBRIDGE-ZINC00457222 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 39 0 0 1 0 0 0 0 0999 V2000 0.4750 1.3060 0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4100 0.1400 -0.1860 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3760 0.5230 -0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 -0.8190 0.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 -1.2310 1.4960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -2.1340 2.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2380 -0.5720 -1.2910 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -0.1380 -2.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 0.8440 -2.7830 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 -0.8560 -3.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1140 -1.0710 -3.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7200 -1.7430 -4.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9540 -2.2060 -5.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5830 -1.9920 -5.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -1.3260 -4.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4920 -1.1050 -4.7630 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.1380 -1.4020 -5.7520 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 -0.6260 -3.7920 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5520 -2.8670 -6.7870 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7080 -3.3130 -7.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0640 -1.9540 -4.6770 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7850 -1.4520 -3.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4400 0.9230 0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 1.9890 -0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 1.8360 1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1790 -0.3150 1.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1740 -1.6930 0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -3.0350 2.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5760 -2.3980 2.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -1.6560 3.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 -1.3560 -1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7060 -0.7120 -2.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -2.3510 -6.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9590 -4.0000 -7.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 -2.4560 -8.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -3.8240 -8.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8440 -1.6870 -3.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6580 -0.3720 -3.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4060 -1.9160 -2.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 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 15 2 0 0 0 0 11 12 2 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END