PUBCHEM-ZINC05557904 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 0.2810 0.4520 0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1450 0.7860 2.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7670 1.2950 3.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0650 2.7140 3.7270 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5620 3.1000 2.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6190 2.5200 1.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8460 3.8470 4.9150 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6980 4.9370 4.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9120 3.1500 6.1510 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8050 4.4450 4.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0740 5.5360 3.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3670 6.0070 3.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3970 5.3840 4.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1230 4.2890 5.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8280 3.8260 5.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7080 5.8590 4.4200 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9350 7.1760 4.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0090 7.9640 4.2990 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3090 7.6650 4.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5480 9.0290 3.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8330 9.4780 3.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8840 8.5800 3.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6540 7.2260 3.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3750 6.7650 3.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2600 9.0690 3.3210 N 0 3 0 0 0 0 0 0 0 0 0 0 10.4650 10.2600 3.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1870 8.2810 3.2740 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3060 -0.6280 0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 0.8420 0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2010 0.6810 -0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 1.2880 2.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2860 -0.2890 2.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6950 0.7220 3.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 1.1880 4.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5660 2.7000 2.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5820 4.1860 2.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0310 2.7020 0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3570 2.9980 1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2730 6.0200 3.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5770 6.8590 3.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9220 3.8020 5.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6130 2.9760 6.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4530 5.2390 4.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7280 9.7320 3.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0190 10.5340 3.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4780 6.5300 3.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1970 5.7080 4.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 1.0740 1.5520 N 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 48 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 2 48 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 6 48 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 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 39 1 0 0 0 0 12 13 1 0 0 0 0 12 40 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 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END