PUBCHEM-ZINC02993795 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 0 0 0 0 0 0999 V2000 0.1810 1.2480 -1.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 0.3100 -0.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1940 0.5300 0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5290 0.4240 -0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1130 1.4330 -0.6530 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1340 -0.9070 -0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1680 -0.9730 -1.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7700 -2.1950 -1.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3420 -3.3550 -1.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3240 -3.3010 -0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7220 -2.0770 0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1510 -5.0110 -1.5690 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 -0.8630 -0.4970 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9300 -1.7700 0.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0470 -3.1340 0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2510 -4.0820 1.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3470 -3.6940 2.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2350 -2.3300 2.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 -1.3830 1.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -4.7180 3.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6490 -5.9370 3.3300 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9710 1.1270 -2.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 2.1630 -1.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1910 -0.1280 1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1240 1.5410 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5090 -0.0730 -1.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5660 -2.2270 -2.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9880 -4.2020 0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9420 -2.0780 0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 -1.1060 -1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9630 -3.4760 -0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3360 -5.1350 0.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3170 -2.0000 3.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9740 -0.3340 2.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6820 -4.2850 4.8760 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 27 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 28 1 0 0 0 0 11 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 2 0 0 0 0 M CHG 1 21 -1 M END