IBS-ZINC05529514 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 39 0 0 1 0 0 0 0 0999 V2000 1.8150 -0.0360 -2.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3490 -1.1030 -3.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7340 -1.2100 -3.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6040 -0.2770 -3.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0760 0.8050 -2.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6690 0.9100 -2.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9900 1.7440 -1.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3830 1.5330 -1.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3890 2.3530 -1.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7440 2.1030 -1.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1220 1.0180 -2.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1410 0.1860 -2.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7850 0.4170 -2.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4910 2.8200 -1.0460 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5580 4.2000 -1.5490 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5100 4.3940 -2.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3480 5.1950 -0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5910 5.3750 0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7130 5.5560 -0.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3700 5.3720 1.7890 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1620 5.5010 2.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4540 5.2470 2.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3840 4.4950 -2.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2180 4.3780 -2.0400 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7400 0.0750 -2.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6960 -1.8460 -3.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1480 -2.0450 -4.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2280 1.7530 -1.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1160 3.2000 -0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4920 2.7570 -1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1720 0.8100 -2.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4440 -0.6720 -3.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9840 2.6240 -0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0960 6.1920 -0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5120 4.8830 0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9190 -0.4540 -3.2470 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7310 4.8450 -3.6900 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 36 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 14 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 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 23 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 17 35 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 22 1 0 0 0 0 23 24 2 0 0 0 0 23 37 1 0 0 0 0 M CHG 1 37 -1 M END