PUBCHEM-ZINC06358066 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 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 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 -2.0580 -0.1210 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7890 -2.4840 0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8190 -2.5900 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2790 -3.1910 1.0530 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5520 -3.5890 0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1480 -3.2870 -0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0230 -2.4730 -1.1930 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.2400 -4.2920 2.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4020 -4.6290 1.9450 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5840 -4.5620 3.2200 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2690 -5.2620 4.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3220 -5.4380 5.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2420 -4.4690 6.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3720 -4.6300 7.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5820 -5.7620 7.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6620 -6.7320 6.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5360 -6.5730 5.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5800 -8.2800 6.7200 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 0.7570 -1.6010 1.2360 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 -1.9160 -0.2570 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 -0.1020 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1690 -3.5190 -0.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6580 -4.2940 3.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1310 -4.6770 4.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6030 -6.2390 3.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8580 -3.5840 6.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3100 -3.8730 8.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9020 -5.8880 8.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6020 -7.3320 4.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4390 -2.0440 -2.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 -2.4270 -1.4360 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 -2.1380 -1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 41 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 32 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 33 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 21 2 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 39 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 M END