PUBCHEM-ZINC01625599 MOE2007 3D CORINA 3.40 0006 02.08.2006 21 21 0 0 0 0 0 0 0 0999 V2000 -0.0160 1.3420 0.0090 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 1.3180 -0.3820 -0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0580 0.7470 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2540 1.7750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5370 0.8090 -0.0270 N 0 3 0 0 0 0 0 0 0 0 0 0 4.1900 -0.2190 -0.0380 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1010 1.8890 -0.0270 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8270 -1.7560 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 -2.6710 -0.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 -4.0460 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 -4.9300 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1320 -4.6610 -1.6910 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.8990 1.9650 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 -0.6600 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4270 -1.9130 -0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 -1.9220 0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7050 -4.2510 -0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7210 -4.2600 0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 -5.9760 0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7580 -4.6630 0.8280 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 14 1 0 0 0 0 2 3 1 0 0 0 0 2 15 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 M CHG 1 6 1 M CHG 1 8 -1 M END