IBS-ZINC04561921 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 43 0 0 0 0 0 0 0 0999 V2000 0.0470 -2.5200 1.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 -1.5560 0.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9970 -0.9540 -0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2780 -1.3390 0.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4080 -2.2970 1.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 -2.9150 1.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7630 -2.4330 1.4700 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2020 -3.0660 2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4040 -1.5740 0.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5100 -0.9080 -0.1160 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8340 -1.5220 0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3940 -0.7780 -0.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7960 -0.6700 -0.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6560 -1.6230 -1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9600 -1.1110 -1.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8750 0.1490 -0.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5500 0.4590 -0.2520 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1410 1.7210 0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8260 2.1920 0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4760 3.4360 0.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4330 4.2330 1.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7590 3.7990 1.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0940 2.5390 0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8100 4.6640 2.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9880 4.1910 2.2250 O 0 5 0 0 0 0 0 0 0 0 0 0 6.6190 -2.2520 1.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1750 -2.9050 2.2850 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8330 -2.9740 1.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1140 -1.2690 0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8780 -0.2060 -0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 -3.6630 2.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7620 -0.2820 -1.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3610 -2.5970 -1.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8700 -1.5940 -1.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6710 0.8630 -0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0380 1.6610 -0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4520 3.7930 0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1490 5.2030 1.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1260 2.2170 1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4390 5.8020 2.5820 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 32 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 33 1 0 0 0 0 15 16 2 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 2 0 0 0 0 26 27 3 0 0 0 0 M CHG 1 25 -1 M END