IBS-ZINC04827222 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 0 0 1 0 0 0 0 0999 V2000 3.2200 2.2580 0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3680 0.8260 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5990 -0.2530 0.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0390 -1.3710 -0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0560 -1.0000 -0.9530 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2350 0.3820 -0.8160 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7920 -1.8490 -1.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2410 -1.3920 -3.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9660 -2.2310 -3.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2450 -3.5250 -3.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8000 -3.9820 -2.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0790 -3.1470 -1.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5520 -2.6280 0.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4800 -0.1880 1.5130 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2500 0.8550 1.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9040 -0.8870 2.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0830 -2.2580 2.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4720 -2.8990 3.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6810 -2.1690 5.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5030 -0.7990 5.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1190 -0.1570 3.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9330 1.3120 3.9250 N 0 3 0 0 0 0 0 0 0 0 0 0 2.7790 2.0350 4.4180 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9330 1.7960 3.4250 O 0 5 0 0 0 0 0 0 0 0 0 0 0.2380 -0.8750 0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8540 -0.8110 1.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6970 -0.7620 2.6860 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 -0.1920 -0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4940 0.3350 -1.2490 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8570 2.4370 1.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5140 2.9230 -0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 2.4500 0.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0220 -0.3820 -3.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3150 -1.8760 -4.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8120 -4.1790 -4.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0190 -4.9930 -1.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7350 -3.5040 -0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8320 -2.8500 -0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9190 -2.8280 1.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6110 -3.9700 3.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9840 -2.6700 6.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6660 -0.2290 5.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4690 -1.9170 0.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 2 6 2 0 0 0 0 3 4 2 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 25 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 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 25 43 1 0 0 0 0 26 27 3 0 0 0 0 28 29 3 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END