PUBCHEM-ZINC03736627 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 49 0 0 1 0 0 0 0 0999 V2000 1.3100 1.1560 -0.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 -0.1910 -0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -0.9810 0.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1470 -2.2540 0.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5990 -2.7220 -0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7010 -1.9260 -1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0900 -0.6710 -1.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1450 0.1620 -2.5080 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8230 -0.3070 -3.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2910 -4.0610 -0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2820 -3.0570 2.2050 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1000 -4.0750 2.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6840 -3.1840 2.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0820 -3.0570 4.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4840 -3.2820 4.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4430 -3.2830 5.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7780 -3.5580 4.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1710 -3.8270 3.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2350 -3.8300 2.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 -3.5540 2.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7870 -3.4940 1.9650 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8030 -3.6540 0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0730 -3.5630 6.1810 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.1150 -2.7310 5.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3280 -3.0240 4.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 1.1760 -1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5680 1.9420 -0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8230 1.3870 0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3320 -0.5950 1.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2740 -2.3110 -2.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3550 -1.2170 -4.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8870 -0.4630 -3.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 0.4660 -4.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9940 -4.1220 0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8650 -4.2250 -1.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 -4.8670 -0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1450 -3.0750 6.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2130 -4.0390 3.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5400 -4.0410 1.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3410 -3.3070 6.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 -1.6680 5.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 -4.0990 4.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0530 -2.5610 5.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5830 -2.4570 3.2970 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.4150 -1.4440 3.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5690 -2.5770 3.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 44 1 0 0 0 0 13 14 2 0 0 0 0 13 21 1 0 0 0 0 14 15 1 0 0 0 0 14 24 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 37 1 0 0 0 0 17 18 1 0 0 0 0 17 23 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 M CHG 1 44 1 M END