IBS-ZINC04090480 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 1 0 0 0 0 0999 V2000 -0.5580 1.3700 -0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1940 1.2640 1.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5040 2.0240 3.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9920 2.0510 3.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4520 2.3720 4.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8100 2.4130 4.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7200 2.1300 3.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2570 1.8080 2.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8900 1.7670 2.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4370 1.4040 0.8480 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5270 0.3270 0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2840 2.0900 -0.1310 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7810 1.3940 -1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6950 1.9890 -2.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1620 1.2660 -3.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8880 -0.5670 -2.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3730 0.0870 -1.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1430 1.5310 1.5040 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6310 0.1910 1.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9840 2.2360 4.2710 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8480 2.9840 5.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5030 2.6960 5.9210 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6430 0.2860 -0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4850 1.6630 -0.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1590 1.8390 -1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 1.3960 1.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4060 0.2040 1.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 1.5300 3.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 3.0460 2.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7450 2.5920 5.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5000 3.0280 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0320 3.0010 -1.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8700 1.7180 -3.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5780 -1.5800 -2.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6630 -0.4060 -0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2740 0.0890 0.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7900 -0.4980 1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2010 -0.0420 2.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9700 4.0510 5.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5680 2.6400 6.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0410 1.8040 0.6420 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7550 0.0280 -3.3890 N 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 41 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 2 41 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 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 30 1 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 7 8 2 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 41 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 42 2 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 16 42 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 M END