IFLAB-ZINC04280022 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 1 0 0 0 0 0999 V2000 1.5190 -0.5100 1.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8170 -0.7270 2.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7430 -0.3740 3.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4350 1.7570 3.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4800 1.3940 2.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7830 1.5410 4.7750 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5550 2.5990 4.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2440 1.4630 4.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4660 2.1750 2.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5300 2.2680 2.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7690 2.6010 2.8010 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3210 3.2790 1.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6000 3.6370 0.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2330 4.3110 -0.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5890 4.6370 -0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3110 4.2800 0.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6810 3.6070 1.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0800 5.2940 -1.5310 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4580 5.6490 -1.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5880 0.7940 6.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3780 0.6160 6.4580 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 -0.1160 0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5760 -1.6010 1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4990 -0.0890 1.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6850 -1.8110 2.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2090 -0.3410 1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7580 -0.7280 3.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3690 -0.8240 4.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.3930 4.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5750 2.8410 3.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1010 1.8060 1.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4970 1.7590 2.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5630 0.4210 4.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9000 1.9110 5.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4190 2.4110 3.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5440 3.4120 0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6580 4.5840 -1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3670 4.5090 0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2770 3.3450 2.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6860 6.1620 -2.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0930 4.7590 -1.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6730 6.3420 -0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5630 -0.1160 2.4300 N 0 3 0 0 0 0 0 0 0 0 0 0 0.9530 -0.5050 3.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8100 1.1300 3.6020 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.2480 1.5680 2.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6420 0.4280 6.7180 O 0 5 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 43 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 2 43 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 45 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 4 45 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 5 43 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 6 45 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 47 1 0 0 0 0 43 44 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 43 1 M CHG 1 45 1 M CHG 1 47 -1 M END