IBS-ZINC05426883 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 1 0 0 0 0 0999 V2000 -0.1480 1.5600 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0840 0.0320 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6380 -0.4120 1.1280 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6130 -1.7460 1.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -2.3680 1.5760 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7400 -2.4220 1.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5710 -3.9270 1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8720 -4.6260 1.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0110 -5.9490 1.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1780 -6.6380 1.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2180 -6.0060 1.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0890 -4.6900 2.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9120 -3.9870 2.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8510 -2.6540 2.5220 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4800 -2.1520 2.6430 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9730 -2.6650 3.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5070 -0.6700 2.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6090 -0.1130 3.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6340 1.2470 4.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5560 2.0500 3.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4530 1.4930 2.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4260 0.1340 2.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5980 -2.4480 3.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3160 -8.0500 0.9150 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.4000 -8.6050 0.3360 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3470 -8.6560 1.1470 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.5210 -1.8470 0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1930 -2.5490 -0.5460 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4350 -0.5110 -0.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6380 -0.4640 -1.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8640 1.9660 -0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 1.8920 -0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6630 1.9120 0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2760 -4.1430 0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2010 -4.2850 1.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -6.4440 0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1320 -6.5430 2.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9040 -4.2000 2.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 -0.7400 4.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 1.6820 4.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5760 3.1120 3.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1740 2.1200 2.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1240 -0.3010 1.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2540 -3.1580 4.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4340 -1.4320 4.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6620 -2.6010 3.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -0.0590 -1.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6830 -1.5530 -1.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 -0.1330 -2.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 15 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 11 12 2 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 30 49 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M END