PUBCHEM-ZINC05557543 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 0 0 0 0 0 0999 V2000 -4.3080 -2.3200 -4.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3330 -2.4270 -3.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8130 -1.7150 -1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1910 -1.2300 0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1540 -2.1490 0.7050 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1350 -2.5280 -0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7540 -3.0530 -1.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0680 -2.6780 1.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3300 -3.6150 2.2870 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8760 -2.0960 3.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6290 -2.9520 3.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3230 -2.4400 5.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2470 -1.0790 5.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4940 -0.2270 4.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7970 -0.7350 3.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9420 -0.6040 6.4730 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1090 0.2480 7.6860 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.5810 1.4740 7.1240 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9520 0.2630 8.8650 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7400 -0.8280 8.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4380 -0.4210 7.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3710 -1.2870 7.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6020 -2.5510 8.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9110 -2.9420 8.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9910 -2.0820 8.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1530 -4.2700 9.3980 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.1690 -4.9770 9.6560 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3300 -4.6070 9.5940 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.7890 -2.5060 -5.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8590 -1.3220 -4.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5060 -3.0560 -4.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1600 -1.7370 -3.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7280 -3.4430 -3.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3840 -2.6390 -0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4610 -0.9410 -1.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7140 -0.2540 0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9890 -1.1140 0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5430 -1.6280 -0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4490 -3.2770 0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9750 -3.2200 -2.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3200 -3.9760 -1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6640 -4.0180 3.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8970 -3.1200 5.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4340 0.8370 4.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1800 -0.0650 2.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7210 -1.1650 6.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2420 0.5590 7.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3560 -0.9770 7.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7540 -3.2110 8.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0090 -2.3750 8.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7290 -2.0200 -2.1350 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.2080 -1.1450 -2.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 2 51 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 51 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 7 51 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 23 24 2 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M CHG 1 51 1 M END