PUBCHEM-ZINC05378497 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 31 0 0 0 0 0 0 0 0999 V2000 -0.0130 1.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 1.5850 -1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0400 1.8250 -2.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 2.2930 -3.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1110 2.4950 -3.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7350 2.2260 -2.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0470 1.7860 -1.1620 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.8280 2.9430 -4.4760 O 0 5 0 0 0 0 0 0 0 0 0 0 0.2700 2.4470 -4.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 2.8320 -5.7120 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 2.0910 -4.0860 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3710 1.7120 -2.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2890 1.3400 -2.0960 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6670 2.1110 -4.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6640 2.5180 -6.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8450 2.5360 -6.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0280 2.1490 -6.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0330 1.7420 -4.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8570 1.7280 -4.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 1.4370 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8000 2.3780 -2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5150 1.6060 -0.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 2.8200 -6.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8440 2.8530 -7.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9490 2.1640 -6.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9580 1.4400 -4.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8620 1.4150 -3.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 23 1 0 0 0 0 7 24 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 2 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 25 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 17 18 2 0 0 0 0 17 27 1 0 0 0 0 18 19 1 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 M CHG 1 7 1 M CHG 1 8 -1 M END