PUBCHEM-ZINC05117042 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 29 0 0 1 0 0 0 0 0999 V2000 -0.0160 1.3420 0.0090 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 1.3180 -0.3820 -0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0580 0.7470 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2540 1.7750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5370 0.8090 -0.0270 N 0 3 0 0 0 0 0 0 0 0 0 0 4.1900 -0.2190 -0.0380 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1010 1.8890 -0.0270 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8270 -1.7560 -0.0240 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7420 -1.8160 0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1070 -2.1990 -1.4730 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1420 -2.5240 -1.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 -3.3860 -1.7010 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6490 -4.3370 -1.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 -3.1470 -0.6050 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6570 -2.4040 -0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8380 -2.6480 0.5150 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6300 -4.4580 -0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6870 -4.1940 0.6830 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5580 -3.3270 -3.0050 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8220 -1.1360 -2.3850 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8990 1.9650 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 -0.6600 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0400 -4.9140 -1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 -5.1390 0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1750 -4.9810 0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0560 -4.0500 -3.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9810 -1.3600 -3.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 17 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 21 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 24 1 0 0 0 0 18 25 1 0 0 0 0 19 26 1 0 0 0 0 20 27 1 0 0 0 0 21 28 1 0 0 0 0 M CHG 1 6 1 M CHG 1 8 -1 M END