IFLAB-ZINC04939732 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 39 0 0 1 0 0 0 0 0999 V2000 -0.0070 1.5070 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -0.0230 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 -0.5300 1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7590 -2.0600 1.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5020 -4.0140 2.4430 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5730 -4.4060 2.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6580 -4.4910 3.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4350 -4.1020 4.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4700 -3.5020 4.1410 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 -4.4200 5.9870 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 -3.9780 6.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9980 -3.8780 6.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0720 -3.4410 6.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8980 -3.1030 8.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6480 -3.2010 8.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5700 -3.6440 8.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1370 -3.7850 8.8820 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.6660 -4.5090 1.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3940 -3.7200 1.0700 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 1.8790 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 1.8680 -0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5110 1.8650 0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3940 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5100 -0.3800 -0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7720 -0.1580 1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 -0.1720 2.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2660 -2.4310 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2640 -2.4170 0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7700 -5.5750 3.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5400 -4.0280 4.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0430 -4.9560 6.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1350 -4.1410 5.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0500 -3.3630 6.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7400 -2.7610 8.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5150 -2.9350 9.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 -2.5460 2.4130 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 -2.1640 2.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8930 -5.8270 1.5080 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6520 -6.0960 0.9710 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 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 18 1 0 0 0 0 5 36 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 36 37 1 0 0 0 0 38 39 1 0 0 0 0 M END