NCID-ZINC01681739 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 22 0 0 1 0 0 0 0 0999 V2000 0.0550 1.5650 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 0.0410 -0.0330 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7570 -0.5340 1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4620 -0.3710 2.3560 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8280 -1.2530 0.7360 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9030 -1.2320 -0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7540 -1.7740 -1.3040 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8480 -0.4810 -1.0920 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 -0.5430 -0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2210 -0.1000 -1.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6100 -0.7370 -1.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9710 -1.4860 -0.4830 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0740 1.9240 0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2680 2.0060 -0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5830 1.9580 0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4800 -1.7350 1.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -0.3320 -2.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3580 -1.6410 -0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9590 -0.2610 0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3680 0.9860 -1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6730 -0.3400 -2.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2300 -0.4200 -2.4860 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 9 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 16 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 12 2 0 0 0 0 11 22 1 0 0 0 0 M CHG 1 22 -1 M END