PUBCHEM-ZINC05380634 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 22 0 0 1 0 0 0 0 0999 V2000 0.0030 1.4730 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 -0.0520 -0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6010 -0.7620 0.6550 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 2.0410 0.0700 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9640 2.3110 -1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7260 3.7110 -1.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6130 4.2630 -1.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0380 2.3070 1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2420 2.8180 1.2930 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5160 2.8270 2.7400 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3410 2.1370 2.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2950 2.3410 3.3880 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4800 2.0310 2.4910 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8590 4.2460 3.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9460 5.1220 3.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 1.9630 -0.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5270 1.6960 0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0450 2.1240 -1.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5800 1.5920 -1.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7860 -0.4380 -1.1270 O 0 5 0 0 0 0 0 0 0 0 0 0 2.6640 4.1350 -2.5780 O 0 5 0 0 0 0 0 0 0 0 0 0 5.0370 4.3680 3.7440 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 2 0 0 0 0 2 20 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 7 2 0 0 0 0 6 21 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 12 13 2 0 0 0 0 14 15 2 0 0 0 0 14 22 1 0 0 0 0 M CHG 1 20 -1 M CHG 1 21 -1 M CHG 1 22 -1 M END