PUBCHEM-ZINC05789843 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -0.5110 0.0120 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9240 -1.2980 -0.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4390 -1.8380 -2.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2620 -2.6180 -2.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5690 -2.8720 -2.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0630 -2.3450 -1.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2480 -1.5580 -0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4330 -0.8990 0.6450 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2460 -0.8830 1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2550 -0.2800 0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0300 0.4780 2.0820 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 0.6650 3.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5990 1.5260 4.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1960 0.9430 5.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7370 1.7330 6.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6800 3.1080 6.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0830 3.6940 5.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5380 2.9030 4.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 3.4780 2.8760 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1860 0.9330 8.0420 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4220 -1.6450 -2.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8870 -3.0360 -3.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2040 -3.4850 -3.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0820 -2.5460 -1.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1620 0.8870 2.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9510 1.1510 2.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4080 -0.3050 3.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2390 -0.1300 5.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 3.7230 7.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0390 4.7670 4.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8660 3.7150 2.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 13 2 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 22 41 1 0 0 0 0 M CHG 1 4 1 M END