PUBCHEM-ZINC04646560 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 31 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.8080 1.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -2.1350 0.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -2.1270 -0.6620 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -0.7940 -1.0930 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -0.3380 -2.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3820 -0.1630 -2.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0390 -1.2220 -3.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3350 -1.0690 -4.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9810 0.1420 -3.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3240 1.2140 -3.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0150 1.0550 -2.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0100 2.5140 -3.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4360 3.4460 -2.6200 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -3.3380 1.5070 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0700 -3.2200 2.7190 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -4.4470 1.0030 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0320 -0.2390 2.8940 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5420 -1.0780 -3.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 0.6130 -2.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5380 -2.1720 -3.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8420 -1.9000 -4.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9930 0.2590 -4.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4990 1.8820 -2.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2720 2.6660 -3.5930 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6800 3.5340 -3.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 19 1 0 0 0 0 4 5 2 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 11 12 2 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 14 29 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 29 30 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END