IBS-ZINC04029014 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 54 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 -0.4840 1.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2340 -1.3340 1.8880 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1100 -1.2530 2.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5890 -0.7770 1.4210 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8050 0.1540 1.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3490 -0.5070 0.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7180 -1.7600 1.6400 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8640 -1.9100 2.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4080 -3.0090 1.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2450 -3.6390 1.5100 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0890 -4.5770 0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.7600 1.3900 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4170 -2.7700 0.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 -3.3760 2.3500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 -4.0560 3.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2850 -3.8890 2.9260 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4610 -5.5420 3.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3210 -3.4500 4.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9840 -1.2100 1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5040 -1.7750 0.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5390 -0.0890 1.5380 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7700 0.4470 0.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1770 1.6950 1.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7150 2.9280 1.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0890 4.0740 1.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9260 3.9850 3.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3880 2.7520 3.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0180 1.6070 2.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7080 -0.5020 -1.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5100 -5.6540 3.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 -6.0560 4.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2950 -5.9740 2.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -2.3930 4.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 -3.9690 5.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 -3.5570 4.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1230 0.3640 2.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5970 0.6860 -0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5620 -0.2970 1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0620 2.9980 0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7270 5.0370 1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2170 4.8800 3.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0420 2.6830 4.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3820 0.6440 3.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7350 -0.1360 -1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -1.5920 -1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1830 -0.1320 -2.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 14 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 10 1 0 0 0 0 9 11 1 0 0 0 0 9 21 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 28 29 2 0 0 0 0 28 46 1 0 0 0 0 29 30 1 0 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 31 49 1 0 0 0 0 31 50 1 0 0 0 0 31 51 1 0 0 0 0 M END