IBS-ZINC02132260 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 -0.1080 1.1620 0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -0.2120 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2710 -0.7900 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 -0.0030 -0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2940 1.3710 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0360 1.9590 0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5210 2.1870 0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4430 3.3940 0.3440 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7110 1.4950 -0.0620 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7200 0.1300 -0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 -0.6220 -0.2800 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9760 2.2260 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5430 2.3560 1.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9400 2.9440 1.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5600 3.0740 0.2740 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4690 3.2770 2.5590 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8630 3.0750 3.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0500 3.0540 4.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0060 4.0680 4.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7950 3.9110 2.6800 C 0 0 3 0 0 0 0 0 0 0 0 0 10.5260 3.2170 2.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9350 5.3120 2.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9940 6.1300 2.2550 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0910 1.6100 0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8810 -0.8360 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 -1.8610 -0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9430 3.0310 0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7210 -0.3110 -0.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6820 1.6930 -0.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8200 3.2220 -0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8860 2.9890 1.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5960 1.3690 1.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2060 3.9290 4.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2780 2.1540 3.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7750 3.2990 5.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5160 2.0600 4.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7500 5.0740 4.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0450 3.8760 4.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0110 5.4900 1.3890 O 0 5 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 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 2 0 0 0 0 10 28 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 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 20 22 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 M CHG 1 39 -1 M END