IFLAB-ZINC02457533 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 0 0 0 0 0 0999 V2000 0.3400 1.3210 0.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 -0.1260 1.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2570 -0.2060 2.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9200 -0.7650 1.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2660 -1.8760 0.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5260 -2.4790 0.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4880 -2.0020 1.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1240 -0.8860 2.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8670 -0.2760 2.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7300 -2.5950 2.0160 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9360 -1.8170 2.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0600 -2.1480 1.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2750 -3.5890 1.2040 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0590 -4.3600 0.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9300 -4.0460 1.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5560 -4.1040 1.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5120 -3.4540 1.7860 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8010 -5.5160 1.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2560 -6.3820 2.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5110 -7.7160 1.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3280 -8.1930 0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8910 -7.2950 -0.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6350 -5.9590 -0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6040 -9.6410 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9790 -10.3960 1.0090 O 0 5 0 0 0 0 0 0 0 0 0 0 1.3350 1.7390 0.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2290 1.3790 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1590 1.9650 1.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0070 -0.6820 0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7970 0.3740 3.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3450 -1.2430 3.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 0.1830 2.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 -2.2850 0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7500 -3.3190 0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8120 -0.4830 3.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6410 0.5820 3.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2540 -2.0640 3.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7630 -0.7360 2.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9800 -1.6370 1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7920 -1.7760 0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2510 -5.4350 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7550 -4.0850 -0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0230 -4.5850 1.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2060 -4.4340 2.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4130 -6.0270 3.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8610 -8.3960 2.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7570 -7.6450 -1.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3120 -5.2770 -1.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4420 -9.9940 -1.1530 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 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 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 2 0 0 0 0 16 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 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 2 0 0 0 0 M CHG 1 25 -1 M END