IBS-ZINC00494956 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 29 0 0 0 0 0 0 0 0999 V2000 0.0630 1.6130 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 0.0910 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -0.4580 -1.1780 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0320 -0.7480 -1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6840 -1.2760 -2.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9010 -1.6110 -3.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 -2.1920 -4.4460 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4580 -1.2530 -3.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 -0.6840 -2.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4970 -0.3650 -2.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2640 -0.6070 -3.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6520 -1.1810 -4.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2950 -1.5040 -4.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4150 -1.4500 -5.8380 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.1490 -0.7680 -6.8370 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2670 -2.3460 -5.7800 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.9290 -0.1410 -3.5040 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.1860 -1.4920 -2.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5690 -2.1470 -1.1610 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0710 2.0220 -0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 1.9860 -0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3520 2.0060 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 -0.2180 0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9030 -0.3190 0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5780 -0.4990 -0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9970 0.0910 -1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 -1.9450 -5.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8880 -0.9390 -3.0710 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 18 1 0 0 0 0 6 7 2 0 0 0 0 6 8 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 10 11 1 0 0 0 0 10 26 1 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 27 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 18 19 1 0 0 0 0 18 28 2 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M CHG 1 19 -1 M END