IFLAB-ZINC02458612 MOE2007 3D CORINA 3.40 0006 02.08.2006 24 25 0 0 0 0 0 0 0 0999 V2000 -0.0280 1.1870 0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8110 1.6090 -1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1470 1.7270 -1.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8750 2.1460 -2.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 2.4040 -3.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 2.2950 -3.4660 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0510 1.9170 -2.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 1.8350 -2.4210 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2860 2.3240 -2.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2220 1.7870 -3.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5330 2.2860 -3.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5390 3.1850 -1.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0090 3.4080 -1.3010 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.7400 3.8750 -1.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8080 3.6530 -2.1960 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5360 0.2730 -0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 1.9710 0.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6760 0.9850 0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7350 1.5070 -0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6150 2.7290 -4.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 2.5050 -4.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9810 1.0760 -4.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4170 2.0120 -3.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6480 4.6490 -0.5370 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 19 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 7 8 2 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 22 1 0 0 0 0 11 12 2 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 24 2 0 0 0 0 M CHG 1 15 -1 M END