PUBCHEM-ZINC06655356 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 50 0 0 1 0 0 0 0 0999 V2000 -0.0510 -0.8190 3.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.0610 2.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5570 -0.3910 1.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 0.1760 -0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 -0.1410 -1.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 0.0290 1.1700 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5080 -0.2970 0.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3400 1.5530 1.3240 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6160 2.1090 0.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7430 2.0040 0.7940 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5970 2.4810 -0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2860 3.0280 1.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0810 3.4400 2.6320 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4950 4.1960 2.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2710 2.1480 2.7460 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2450 2.3580 3.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8430 1.2550 3.7130 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1190 1.8740 4.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5450 4.0050 3.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9420 5.1990 3.9570 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4030 0.5870 -0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8070 1.4350 -1.2870 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3280 0.9280 -2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6480 -0.7380 -0.4900 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1070 -1.3950 0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3220 -1.1260 -1.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7530 -0.7310 2.2110 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4170 -1.9190 2.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7010 -2.3970 0.9380 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8780 -2.5440 3.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8310 -0.4300 4.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 -0.7150 4.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 -1.8870 3.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3880 -0.3220 1.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3710 1.0150 2.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5450 -1.4860 0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 -0.2470 -0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2590 1.2610 -0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5230 0.4210 -1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 -1.2100 -1.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0440 0.1380 -2.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0800 2.6030 2.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7220 3.8900 1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7490 -0.2730 3.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8860 -2.1860 3.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2080 -2.2860 4.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8910 -3.6320 3.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4690 3.1740 4.9360 O 0 5 0 0 0 0 0 0 0 0 0 0 4.6480 0.8870 0.6740 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6860 0.2700 1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 27 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 49 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 19 20 2 0 0 0 0 19 48 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 27 28 1 0 0 0 0 27 44 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 45 1 0 0 0 0 30 46 1 0 0 0 0 30 47 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 48 -1 M END