IBS-ZINC00226229 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 29 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.4480 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 -0.6000 -1.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 0.0700 -1.9210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 -2.1040 -1.1200 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2890 -2.5220 -0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7920 -2.6160 -0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7740 -4.1220 -0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4990 -4.8340 -1.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4840 -6.2150 -1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7400 -6.8880 -0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0130 -6.1720 0.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0360 -4.7910 0.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 -6.8880 1.7900 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.4200 -6.2580 2.6150 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 -8.1050 1.8070 O 0 5 0 0 0 0 0 0 0 0 0 0 1.7750 -2.1380 -2.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8250 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8090 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7990 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7470 -2.2690 -0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6570 -2.2370 0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0780 -4.3090 -1.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 -6.7700 -1.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4740 -4.2330 1.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7240 -8.2470 -0.1550 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9020 -2.5140 -2.5090 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8820 -3.5180 -2.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 -8.6420 0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 27 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 7 22 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 23 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 11 12 2 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 25 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 27 1 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M END