IBS-ZINC06645478 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 22 0 0 0 0 0 0 0 0999 V2000 -0.0010 1.4670 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.0190 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 -0.7410 1.0700 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -2.0460 0.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.1230 -0.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -0.8290 -1.1610 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -0.3370 -2.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4190 -0.1210 -3.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 0.4860 -4.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2790 0.7600 -4.9550 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 -3.3040 -1.4980 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.2600 -4.3550 -0.9220 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3910 -3.2090 -2.6800 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8470 1.8430 -0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 1.8450 -0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 1.8760 0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 -2.8560 1.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 -1.0330 -3.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5550 0.6000 -2.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9830 0.5530 -2.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9700 -1.0680 -3.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5600 0.6510 -4.9700 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 10 2 0 0 0 0 9 22 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 M CHG 1 11 1 M CHG 1 13 -1 M CHG 1 22 -1 M END