IBS-ZINC02205786 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 22 0 0 1 0 0 0 0 0999 V2000 0.4360 1.0560 -0.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1810 -0.2400 -0.6310 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1940 -0.6340 0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6320 0.0860 1.1170 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5970 -1.9300 -0.0510 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6600 -2.6640 0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5480 -2.1330 1.2520 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6500 -2.9200 1.6770 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8250 -4.0630 1.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9930 -4.6610 0.2110 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6550 -4.1360 0.0570 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9890 -4.6580 0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0960 -4.3690 -1.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6510 -5.2870 -2.0270 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 1.1270 -1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3140 1.8280 -0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8390 1.1810 0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -0.8750 -1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0630 -2.4510 -0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7200 -4.6630 1.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2330 -5.4600 -0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1130 -3.6140 -1.6620 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 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 1 0 0 0 0 5 19 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 22 1 0 0 0 0 M CHG 1 22 -1 M END