IFLAB-ZINC05258451 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 45 0 0 1 0 0 0 0 0999 V2000 0.0210 1.5200 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -0.0100 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 -0.5060 -1.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 -2.0360 -1.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 -2.5330 -2.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4800 -4.0630 -2.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1960 -6.0070 -3.7790 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2750 -6.4020 -3.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3210 -6.4710 -5.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0840 -6.0730 -5.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1900 -5.4770 -5.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9710 -6.3790 -7.3020 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2230 -6.1130 -7.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4200 -6.0340 -7.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5960 -5.7720 -7.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5840 -5.5880 -9.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3940 -5.6670 -10.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 -5.9230 -9.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4160 -6.0220 -10.3160 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.3750 -6.5110 -2.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1160 -5.7280 -2.4420 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0460 1.8900 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 1.8870 -0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4890 1.8740 0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5520 -0.3760 0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9950 -0.3790 0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 -0.1400 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7710 -0.1360 -1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2780 -2.4030 -0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2700 -2.4060 -1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9490 -2.1660 -3.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4960 -2.1630 -2.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0030 -4.4290 -1.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4550 -4.4320 -2.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1950 -6.0060 -5.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4320 -7.5550 -5.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7170 -6.7840 -7.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4300 -6.1780 -6.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5270 -5.7100 -7.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5050 -5.3840 -9.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3880 -5.5240 -11.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1680 -4.5390 -3.7350 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -4.1600 -4.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6030 -7.8310 -2.8880 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3710 -8.1060 -2.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 6 42 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 7 42 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 20 21 2 0 0 0 0 20 44 1 0 0 0 0 42 43 1 0 0 0 0 44 45 1 0 0 0 0 M END