PUBCHEM-ZINC03874205 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 53 0 0 1 0 0 0 0 0999 V2000 0.8100 2.0970 0.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 0.6220 0.4870 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6960 0.5820 0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 -0.3090 1.5800 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3600 -1.2230 1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2470 -0.6850 0.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3190 -0.5420 -0.3820 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9490 -0.0750 -0.7710 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3570 -0.9840 -0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0430 0.7390 -2.0710 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7030 1.6020 -1.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6220 -0.1180 -3.2120 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0020 -1.0070 -3.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7840 0.6280 -4.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9320 -0.5820 -2.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9210 -0.6820 -1.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3550 1.1980 -2.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 0.3880 -2.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3920 -1.3110 1.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1290 -2.4230 2.2070 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1930 0.4190 3.2230 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5470 0.5660 3.7060 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1700 0.6860 2.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7820 1.7790 4.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0710 1.3920 5.2980 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9380 1.4140 4.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0770 -0.6130 4.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3510 2.2510 6.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3030 1.7760 7.6760 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6880 3.5930 6.3240 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8410 4.4720 7.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9090 4.2180 5.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8980 2.2180 0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4170 2.6830 -0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 2.5570 1.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 1.5330 -4.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3160 0.0030 -5.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8210 0.9060 -4.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 1.9330 5.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8710 2.6930 3.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7620 -1.2160 3.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 -1.2740 4.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5830 3.9780 8.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1870 5.3390 7.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8820 4.8050 7.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8150 4.8300 5.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0530 4.8600 4.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0380 3.4920 4.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 2.3500 -3.0210 O 0 5 0 0 0 0 0 0 0 0 0 0 4.4860 -0.6720 1.6440 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7920 -0.0130 5.6550 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6410 -0.5180 5.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 21 1 0 0 0 0 6 7 2 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 17 18 2 0 0 0 0 17 49 1 0 0 0 0 19 20 1 0 0 0 0 19 50 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 27 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 25 51 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 27 51 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 31 43 1 0 0 0 0 31 44 1 0 0 0 0 31 45 1 0 0 0 0 32 46 1 0 0 0 0 32 47 1 0 0 0 0 32 48 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 20 -1 M CHG 1 49 -1 M END