IFLAB-ZINC04374432 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 1 0 0 0 0 0999 V2000 2.2820 1.3210 -0.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2610 -0.0800 -0.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 -0.7690 -0.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -0.0570 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 1.3400 0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2010 2.0570 -0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 3.4810 -0.3170 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 4.2560 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3550 5.6630 -0.4090 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0310 5.7510 -1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8710 5.7430 -0.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2930 4.3220 -0.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4210 4.0340 -0.9970 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2920 6.7050 0.3650 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4180 7.9820 -0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 8.3300 -1.1720 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 8.8500 0.6420 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1400 10.2800 0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5390 10.8280 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4960 9.0280 1.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0770 8.4980 1.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8300 11.1470 1.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2900 11.4850 2.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1150 11.8510 3.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4240 12.1950 4.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0740 -0.6620 0.5490 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1430 -2.0340 0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1920 -2.7240 0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -2.1380 -0.4490 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1670 1.8100 -1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1130 -0.6250 -1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 1.8420 0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8620 3.8820 -0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 4.2120 1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2740 6.4210 -1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2400 6.0360 0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6100 6.4880 1.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 10.7900 1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4850 10.4850 -0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5100 11.9160 -0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9820 10.3690 -0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9550 8.5390 0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1240 8.8800 2.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1420 7.4190 1.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6570 8.9410 2.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5040 10.4740 0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7010 12.0740 0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0020 12.3150 2.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7430 10.6170 2.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 -2.5170 0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4420 -2.0730 -0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 -2.6550 1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 -3.7840 0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4560 10.5130 1.2010 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.0940 10.9990 2.0530 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 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 2 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 54 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 20 54 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 54 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END