IBS-ZINC04027862 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 44 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.4480 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1860 -0.6300 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2080 0.0140 0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2440 -2.1360 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4650 -2.5330 0.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0260 -2.6490 -1.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3610 -4.1190 -1.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0400 -5.1170 -2.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3490 -5.0610 -3.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2330 -6.2340 -4.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7690 -7.4250 -3.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4570 -7.5100 -2.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5920 -6.3350 -1.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1960 -6.0680 -0.7750 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6550 -6.7220 -0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0550 -4.7420 -0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5750 -4.0250 0.7520 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9360 -4.2470 1.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9840 -4.4750 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0560 -3.7430 0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3480 -4.1570 0.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5690 -5.3020 1.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4980 -6.0340 2.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2050 -5.6240 1.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7390 -6.6290 2.4260 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8250 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8090 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7990 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6800 -2.1120 -2.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -2.5030 -1.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 -4.1370 -4.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2950 -6.2280 -5.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6470 -8.3170 -4.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8720 -8.4450 -2.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8830 -2.8480 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1850 -3.5850 0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5780 -5.6240 1.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6710 -6.9280 2.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5600 -2.5770 0.4860 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8370 -2.0560 1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 40 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 17 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 40 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 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 24 2 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 40 41 1 0 0 0 0 M END