IFLAB-ZINC02451625 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 1 0 0 0 0 0999 V2000 -0.2120 0.7820 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -0.4220 -0.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3840 -0.9290 -0.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4100 -0.2380 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0980 0.9720 0.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7950 1.4790 0.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7670 -0.7760 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9190 -0.0920 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0900 -1.0560 0.0390 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6910 -1.0230 -0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3930 -2.3560 0.0610 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0290 -2.1170 0.1220 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9760 -3.6000 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1930 -3.7470 -0.1470 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0130 -4.7740 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7030 -6.1280 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6800 -7.2570 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2330 -8.6750 -0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4500 -8.7840 -0.5380 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9500 -0.7970 1.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2460 -0.2800 1.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0480 -0.0140 2.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5570 -0.2610 3.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2720 -0.7690 3.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4730 -1.0340 2.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6420 0.0980 5.0040 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 1.1770 -0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7010 -0.9660 -1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5890 -1.8640 -1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8630 1.5290 1.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5690 2.4160 1.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0280 0.9770 -0.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3170 -2.8260 0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 -4.7400 0.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2860 -4.6500 -0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2490 -6.1630 -1.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4490 -6.2590 0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1430 -7.2070 0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9360 -7.1170 -0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6450 -0.0870 0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0500 0.3820 2.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8830 -0.9630 4.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4720 -1.4340 2.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3740 -9.5800 -0.0220 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 44 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 M CHG 1 44 -1 M END