PUBCHEM-ZINC05173037 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 0 0 0 0 0 0 0 0999 V2000 -0.0100 1.5340 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 0.0280 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 -0.7580 1.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 -2.0950 0.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -2.0460 -0.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 -0.7580 -1.1560 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 -3.2350 -1.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3350 -3.6580 -1.9470 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0890 -3.0900 -3.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9130 -4.5680 -1.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3270 -4.9600 -0.1480 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2590 -5.0900 -1.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6540 -5.2790 -2.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9240 -5.7710 -3.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7560 -6.0580 -1.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3560 -5.8700 -0.7180 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1550 -5.4090 -0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5180 -6.0480 -4.8040 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0070 1.9240 -0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5700 1.8840 -0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 1.8840 0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 -0.4310 2.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 -2.9850 1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 -2.9620 -2.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -4.0540 -1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8720 -3.6540 -3.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1560 -3.1450 -2.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 -2.0490 -3.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9840 -5.0460 -3.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7480 -6.4420 -2.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8630 -5.2730 0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 4 5 2 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 17 31 1 0 0 0 0 M END