PUBCHEM-ZINC06865177 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 31 0 0 1 0 0 0 0 0999 V2000 -0.0880 0.6560 -0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 -0.5820 0.0630 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 -0.6000 0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0450 0.6550 0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 1.4460 -0.2270 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 2.8560 -0.5420 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9040 3.2700 0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4330 3.2530 -2.0150 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5270 3.3490 -2.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 4.6460 -2.0430 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5000 5.0080 -3.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4280 4.5020 -1.1250 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2790 4.0790 -1.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0940 3.5220 -0.1130 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8550 5.7830 -0.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0110 5.5160 0.3810 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8050 4.6780 0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7200 5.5970 -1.5140 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 5.5530 -2.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8110 2.4910 -2.9050 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3220 1.0010 0.4790 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0350 -0.0550 0.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6360 -1.3230 1.1280 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -1.5780 0.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7540 -3.1480 1.1110 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.6810 0.2650 1.2660 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0310 1.0420 -0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 6.1510 0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1090 6.5690 -1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 24 2 0 0 0 0 4 5 1 0 0 0 0 4 21 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 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 15 16 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 M CHG 1 20 -1 M END