CHEMBRIDGE-ZINC04913459 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 1 0 0 0 0 0999 V2000 0.4420 1.5670 -0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 0.1170 0.0970 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5860 -0.4970 -0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 -0.3380 1.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 -0.1770 2.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9670 0.3800 1.1940 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8970 1.4730 1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2510 -0.1620 0.0770 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4310 -0.0030 1.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6380 -0.3960 3.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9390 0.3110 4.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6070 1.6520 4.7060 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5380 2.5850 4.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8780 2.4640 4.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7880 3.4720 4.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3640 4.6120 3.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 4.7540 3.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1210 3.7370 3.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 3.8740 3.2510 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2270 5.0030 3.3040 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 2.8510 2.8450 O 0 5 0 0 0 0 0 0 0 0 0 0 1.5190 1.7560 -0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 1.7900 -1.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 2.2800 0.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7960 -1.4330 1.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8460 0.0130 1.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9240 0.2660 3.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4920 -1.2700 2.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0430 0.3910 1.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8210 0.3880 0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5520 -1.0910 0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7840 -1.4720 3.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1210 -0.2230 4.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3690 -0.1870 5.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6690 0.2680 3.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 1.6040 5.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8320 3.3750 4.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0800 5.3930 3.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7060 5.6480 2.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 0.1580 2.6350 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1280 1.2040 2.6850 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 8 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M CHG 1 40 1 M END