IBS-ZINC05452385 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 29 0 0 1 0 0 0 0 0999 V2000 -0.4800 1.1650 -0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1290 -0.1500 -0.1810 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 -0.9530 0.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1730 -0.5780 1.6740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 -2.2830 0.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -3.0780 1.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4950 -4.3150 2.3010 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 -5.1660 3.4520 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1500 -4.5620 4.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0960 -5.9630 3.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3900 -5.2820 3.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3120 -4.4500 4.5920 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3520 -6.1930 3.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0270 -6.4010 2.5390 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3160 -2.7160 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8610 -3.8160 -0.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6190 -1.7730 -0.9690 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -0.5130 -1.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5110 0.2130 -2.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2540 1.7370 0.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1210 1.7190 -1.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5660 1.0510 -0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7370 -2.7570 2.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1980 -4.7360 1.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1800 -6.2300 2.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0670 -6.9100 3.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3120 -2.0450 -1.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4240 -5.6740 3.0250 O 0 5 0 0 0 0 0 0 0 0 0 0 1.5100 -6.6880 4.7500 O 0 5 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 18 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 15 1 0 0 0 0 6 7 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 12 2 0 0 0 0 11 28 1 0 0 0 0 13 14 2 0 0 0 0 13 29 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 18 19 2 0 0 0 0 M CHG 1 28 -1 M CHG 1 29 -1 M END