IBS-ZINC05425144 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 1 0 0 0 0 0999 V2000 0.7700 1.8840 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4120 0.4040 0.0090 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1300 -0.1610 -0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3380 -0.1920 1.4300 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6100 0.0900 1.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5190 0.2940 2.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4550 -0.5570 2.4380 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3470 -1.6780 1.3890 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 -2.4710 0.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5690 -2.0020 0.1970 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4090 -3.9600 1.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4600 -4.5450 1.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3460 -4.7860 3.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5250 -5.3180 3.6980 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7190 -5.5810 4.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4150 -5.4430 2.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7770 -4.9620 1.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4880 -4.9680 0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8000 -5.4550 0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4070 -5.9290 1.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7270 -5.9330 2.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8670 0.2860 -0.6410 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2420 -0.5930 -0.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7960 2.0740 0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 2.2470 -1.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 2.4840 0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 -2.0670 1.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4300 -4.4300 0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5860 -4.1570 1.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 -4.6150 3.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0270 -4.5860 -0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3490 -5.4580 -0.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4290 -6.3000 1.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2060 -6.2990 3.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3920 1.4350 2.8400 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 22 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 35 1 0 0 0 0 8 9 1 0 0 0 0 8 27 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 28 1 0 0 0 0 11 29 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 16 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 18 19 1 0 0 0 0 18 31 1 0 0 0 0 19 20 2 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 22 23 1 0 0 0 0 M CHG 1 35 -1 M END