CHEMDIV-ZINC03958515 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -0.5030 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0480 -0.9110 1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7160 -1.3690 2.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 -1.4190 3.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7520 -1.0100 3.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 -0.5480 2.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -0.5110 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0510 -0.6430 -1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5230 -0.3410 -2.1960 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4430 -1.1560 -1.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2860 -1.3520 -2.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4450 -1.8340 -1.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2460 -1.8960 -0.3890 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1360 -1.5250 -0.0850 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6740 -2.2110 -2.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7840 -2.6910 -1.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9280 -3.0410 -2.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9760 -2.9180 -3.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8780 -2.4430 -4.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7310 -2.0840 -3.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5480 -3.4000 -4.7490 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5540 -0.8730 0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7450 -1.6890 2.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5900 -1.7770 4.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2450 -1.0490 4.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9430 -0.2250 2.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7940 -0.7520 0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0640 -1.1640 -3.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7470 -2.7890 -0.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7870 -3.4130 -1.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9220 -2.3490 -5.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8770 -1.7090 -4.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 17 2 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 M END