IBS-ZINC05454555 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 34 0 0 1 0 0 0 0 0999 V2000 0.0310 1.3910 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -0.0480 -0.2100 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2010 -0.7440 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2640 -0.2080 0.2450 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 -2.1960 -0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2150 -2.9270 -0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -4.2830 -0.2610 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5820 -5.0600 0.0400 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3340 -4.4230 0.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2440 -6.2380 0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0050 -5.8070 2.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -4.9600 2.5610 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4360 -4.6130 1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6920 -4.6640 3.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -6.2090 3.3310 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1740 -5.6490 -1.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4740 -6.5330 -1.8430 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1690 -2.8450 -0.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2510 -4.0630 -0.7890 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 -1.9830 -0.7460 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2350 -0.6060 -0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2580 0.0820 -0.5920 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5430 -2.5570 -1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0400 1.7830 0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4170 1.8830 -0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5760 1.6340 0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -2.4490 0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5780 -4.7970 -0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3470 -6.7710 0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0660 -6.9640 0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4690 -3.6070 -1.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2150 -2.4730 -0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9740 -1.9860 -1.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3060 -5.1850 -1.5960 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 21 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 15 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 2 0 0 0 0 23 31 1 0 0 0 0 23 32 1 0 0 0 0 23 33 1 0 0 0 0 M CHG 1 34 -1 M END