IBS-ZINC05451425 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 0 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 0.6710 -0.4650 -1.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 -1.8110 -1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2490 -2.6690 -0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3570 -4.0370 -0.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 -4.5530 -1.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5220 -3.7020 -2.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 -2.3300 -2.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9260 -1.4920 -3.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5380 -2.0450 -4.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9410 -2.3800 -5.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8930 -2.9000 -6.4720 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7520 -3.2250 -7.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1130 -2.8850 -5.7840 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9080 -2.3670 -4.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9360 -2.1610 -3.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5800 -1.6040 -2.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5380 -1.4130 -1.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8580 -1.7760 -1.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2190 -2.3310 -2.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2630 -2.5310 -3.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6150 -3.0810 -4.9710 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7970 -1.5850 -0.6160 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3560 -1.0080 0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5270 -0.8740 1.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2860 0.2810 1.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3600 0.4040 2.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6740 -0.6280 3.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9140 -1.7830 3.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8380 -1.9040 2.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4810 -2.2060 -5.9850 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 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2480 -2.2690 0.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 -4.7040 0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0760 -5.6220 -1.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0190 -4.1080 -3.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5550 -1.3200 -2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2620 -0.9800 -0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2460 -2.6120 -2.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8840 -2.4350 -5.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9300 -0.0230 0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5990 -1.6490 1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0410 1.0870 0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9540 1.3060 2.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5130 -0.5320 3.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1600 -2.5890 3.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2420 -2.8050 2.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -1.2260 -6.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1740 -2.9810 -6.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 -2.2880 -5.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 7 8 2 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 29 30 2 0 0 0 0 29 50 1 0 0 0 0 30 31 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 32 55 1 0 0 0 0 M END