IBS-ZINC05451119 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 0 0 0 0 0 0 0 0999 V2000 1.0820 1.2610 -0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5030 -0.1100 -0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3340 -0.8720 1.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 -0.6390 2.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3140 -1.6340 3.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2550 -2.8440 2.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5390 -3.0950 1.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2340 -2.0900 0.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3970 -2.0720 -0.7140 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7680 -2.8510 -1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -0.8740 -1.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 -0.5260 -2.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6930 0.3500 -3.1630 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9060 -1.2440 -3.4440 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0170 -0.9980 -4.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2190 -1.4620 -5.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 0.1670 -7.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0730 -2.0680 -7.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6870 -1.3270 5.1430 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.0480 1.2300 -0.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4110 1.9250 -0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 1.7040 0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 0.3000 2.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 -3.6080 3.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9800 -4.0380 1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5230 -1.9270 -3.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9100 -1.5300 -5.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1880 0.0740 -5.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1300 -0.9280 -5.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3770 -2.5330 -5.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9990 0.6170 -7.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7980 0.6710 -7.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0510 0.2040 -8.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9700 -3.1210 -7.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0650 -1.6880 -7.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8710 -1.9460 -8.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -1.2790 -7.1550 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8730 -1.6690 -7.4210 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 11 2 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 6 7 2 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 16 37 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 37 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 37 38 1 0 0 0 0 M CHG 1 37 1 M END