IBS-ZINC05137372 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 61 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 0.6880 -0.4760 -1.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 -0.7010 -1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4210 -2.1450 -0.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 -0.7130 -2.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6100 -1.1610 -3.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 -1.3940 -4.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4780 -1.1820 -4.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1260 -0.7360 -3.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -0.5060 -2.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2610 -1.4370 -5.9510 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6910 -2.0960 -6.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5240 -0.1080 -6.6660 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5760 0.3610 -6.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3150 0.8150 -5.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6080 2.1350 -6.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4340 1.8590 -7.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6430 0.9420 -8.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3300 -0.3780 -7.9400 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.6390 -1.0780 -7.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3220 -2.3750 -6.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3350 -3.2760 -4.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6600 -3.7580 -4.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6770 -3.1560 -4.5400 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7150 -4.8580 -3.4920 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5740 -1.2240 -8.8090 O 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 2.5450 -0.5230 -2.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5990 -0.0180 -0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0110 -2.3230 0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9580 -2.8280 -1.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4980 -2.3120 -0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6770 -1.3260 -3.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3930 -1.7420 -5.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1940 -0.5710 -3.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9200 -0.1620 -1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2540 0.3350 -5.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7310 1.0110 -4.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1680 2.7920 -5.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6690 2.6140 -6.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3700 1.3760 -7.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6470 2.8000 -8.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2300 0.7440 -9.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7080 1.4270 -8.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2320 -0.4240 -6.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2000 -1.3080 -8.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2520 -2.8680 -6.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7440 -3.0350 -7.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6720 -3.0430 -3.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8850 -4.0560 -5.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9010 -5.3400 -3.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5680 -5.1680 -3.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0240 -1.4380 -9.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5420 -2.0700 -5.6120 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 59 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 27 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 22 59 1 0 0 0 0 23 24 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 23 59 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 27 58 1 0 0 0 0 M END