PUBCHEM-ZINC02048741 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 21 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.4980 -1.2570 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2440 -0.0640 -2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6300 -2.0230 -1.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 -2.5080 -2.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -4.0100 -2.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6540 -4.6300 -1.8070 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 -0.0910 -1.2090 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8380 -0.4700 -0.2980 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5810 0.6260 -2.0820 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1810 -2.4590 -0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4140 -2.3300 -1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 -2.0720 -3.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2810 -2.2010 -2.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6230 -4.6600 -3.7930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5450 -5.6240 -3.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 3 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 5 6 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 8 2 0 0 0 0 7 21 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 21 22 1 0 0 0 0 M CHG 1 9 1 M CHG 1 11 -1 M END