PUBCHEM-ZINC05357034 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 0 0 0 0 0 0999 V2000 0.3470 1.3850 -0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4290 -0.0410 -0.2210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8410 -0.6380 0.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 0.1320 2.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5800 -0.4840 3.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6810 -1.8760 3.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3640 -2.6390 2.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9380 -2.0270 0.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6210 -2.7830 -0.0830 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 -4.2000 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1280 -2.5320 4.5230 N 0 3 0 0 0 0 0 0 0 0 0 0 3.0350 -3.3440 4.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5900 -2.2590 5.5810 O 0 5 0 0 0 0 0 0 0 0 0 0 1.9200 0.3350 4.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 -0.1910 5.3820 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6820 1.7780 4.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9930 2.5270 5.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7530 3.9780 5.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0740 4.7570 6.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8470 6.1170 6.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3030 6.7110 5.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9830 5.9470 4.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2090 4.5870 4.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0620 8.1720 5.3880 N 0 3 0 0 0 0 0 0 0 0 0 0 1.3420 8.8470 6.3620 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5840 8.6980 4.4000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.3300 1.8060 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 1.7310 -1.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3590 1.7080 0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 1.2080 1.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 -3.7150 2.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 -4.5440 0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4610 -4.6840 -0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 -4.4540 0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 2.2450 3.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4180 2.0600 6.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4980 4.2950 7.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0940 6.7200 7.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5590 6.4190 3.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9630 3.9930 3.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 14 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 2 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 M CHG 1 11 1 M CHG 1 13 -1 M CHG 1 24 1 M CHG 1 26 -1 M END