PUBCHEM-ZINC06240009 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 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 0.6030 -0.6040 -1.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6550 -2.0020 -1.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2570 -2.6130 -2.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8320 -1.8320 -3.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7730 -0.4180 -3.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 0.1760 -2.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4550 -2.4550 -4.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3050 -2.1140 -5.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 -2.9590 -6.4050 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6870 -3.7830 -5.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3370 -3.5010 -4.2640 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6540 -3.9600 -3.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6150 -4.8450 -5.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2100 -5.6650 -4.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0740 -6.6530 -5.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3670 -6.8530 -6.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7870 -6.0510 -7.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9090 -5.0540 -7.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1070 -6.2720 -9.1050 N 0 3 0 0 0 0 0 0 0 0 0 0 5.5570 -5.5110 -10.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9430 -7.2290 -9.4520 O 0 5 0 0 0 0 0 0 0 0 0 0 7.5650 -8.2260 -7.2100 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4680 -1.0520 -6.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8960 -0.3490 -7.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1030 0.6450 -7.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 0.9530 -7.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 0.2640 -6.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 -0.7360 -5.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 -2.5960 -0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2970 -3.6910 -2.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2090 0.1850 -3.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1140 1.2540 -2.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9860 -5.5140 -3.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5310 -7.2820 -4.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4530 -4.4320 -8.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8440 -0.5870 -7.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4300 1.1870 -8.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7310 1.7340 -7.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4950 0.5110 -5.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 -1.2740 -4.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 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 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 24 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 41 1 0 0 0 0 27 28 1 0 0 0 0 27 42 1 0 0 0 0 28 29 2 0 0 0 0 28 43 1 0 0 0 0 29 30 1 0 0 0 0 29 44 1 0 0 0 0 30 45 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END