IBS-ZINC06669680 MOE2007 3D CORINA 3.40 0006 02.08.2006 25 26 0 0 1 0 0 0 0 0999 V2000 0.0950 1.4890 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1930 -0.0290 0.0130 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8820 -0.3960 -0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 -0.4500 1.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 -1.0780 2.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 -0.6450 -0.1260 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9330 -0.7200 -1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4450 -0.3160 -2.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1870 -0.3360 -3.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5230 -0.7940 -3.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0950 -1.2290 -2.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2700 -1.1700 -1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8700 -1.5770 0.0570 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.4910 -0.7140 0.6930 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7270 -2.7610 0.3880 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.3750 -1.6330 -2.4240 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8060 -1.4790 -4.0210 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.3930 -0.8920 -4.6660 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0800 1.9490 0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3220 1.8710 -0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 1.8430 0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4070 -1.0620 0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4150 0.0340 -2.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7510 -0.0180 -4.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9430 -0.1290 1.6650 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 18 2 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M CHG 1 25 -1 M END