IBS-ZINC05049231 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 -0.1180 7.4710 2.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6320 5.7500 2.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5320 5.0650 1.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4910 5.3580 0.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3770 4.1460 0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2520 4.3960 -0.8800 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5900 4.9660 -0.7310 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.4850 5.8780 -0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9840 5.3000 -2.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0290 4.6170 -3.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9080 4.1180 -2.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8800 3.6300 -2.6210 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0680 4.4810 -4.2490 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9560 6.1340 -2.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7280 6.7650 -1.5620 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2650 6.4880 -3.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2040 5.7490 -4.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4870 6.0930 -5.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8350 7.1720 -6.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8960 7.9160 -5.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6220 7.5740 -4.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1900 8.9900 -6.3090 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3200 9.2850 -7.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5560 3.9890 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4640 4.4420 0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3380 3.5280 1.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2920 2.1950 1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3680 1.8270 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5030 2.6870 -0.4690 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 8.2000 2.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5930 7.2760 3.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8420 7.8380 1.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2590 5.5160 3.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3580 6.5670 2.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0890 4.8720 2.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0520 4.9450 2.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 4.1550 1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1260 6.2190 0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 5.6190 -0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7470 3.2820 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9800 3.8870 1.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3820 7.3230 -2.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7110 4.9000 -4.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2140 5.5150 -6.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0820 7.4030 -7.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8880 8.1570 -3.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6490 10.1180 -7.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0170 8.4330 -8.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3400 9.6040 -7.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5050 5.4880 1.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0540 3.8560 2.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9630 1.4630 1.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2930 0.7980 -0.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4730 6.1860 1.8270 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8680 6.3840 0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 54 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 54 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 54 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 23 47 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 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 27 28 2 0 0 0 0 27 52 1 0 0 0 0 28 29 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