PUBCHEM-ZINC01218474 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 -0.4060 1.3350 -0.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -0.0360 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4620 -0.2220 1.1240 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0060 -1.4590 1.4940 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4120 -1.7480 3.0730 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7850 -3.1160 3.1480 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 -0.6850 3.4670 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 -1.5800 4.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8690 -2.6790 4.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0230 -2.5480 4.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3680 -1.3170 5.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5580 -0.2180 5.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4020 -0.3510 4.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9470 -1.1370 6.5520 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 -1.1650 -1.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3080 -2.4510 -0.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3510 -3.5040 -1.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 -3.2880 -2.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 -2.0100 -3.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2400 -0.9520 -2.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1420 -4.3600 -3.7120 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6570 -4.1840 -4.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0110 -3.0810 -5.3030 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7930 -5.3600 -5.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3850 -5.0960 -7.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2080 -5.8390 -6.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4450 1.8800 -0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1770 1.2400 -1.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8080 1.8790 0.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 -2.1470 0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5990 -3.6400 3.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6550 -3.4060 5.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8280 0.7440 5.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2330 0.5070 4.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5040 -2.6200 0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5820 -4.4980 -1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 -1.8470 -4.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 0.0420 -2.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 -5.2280 -3.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 -6.1150 -5.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6760 -4.0730 -7.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9930 -5.6780 -8.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3570 -6.9090 -6.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0410 -5.3040 -5.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 15 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 34 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 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 M END