CHEMDIV-ZINC04939306 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 0 0 1 0 0 0 0 0999 V2000 0.3810 0.9340 0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2870 -0.5670 -0.1090 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8920 -0.8850 -0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8390 -1.2570 1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 -1.8490 1.8850 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0960 -0.9890 -0.2670 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8790 -0.8170 -1.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3900 -0.2130 -2.4610 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1910 -0.0680 -3.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6920 0.5670 -4.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4700 0.7610 -5.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7820 0.3110 -5.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3110 -0.3290 -4.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5120 -0.5270 -3.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9270 -1.1550 -2.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1280 -1.2900 -1.2810 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2630 -1.7360 -2.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6250 -2.9320 -2.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8920 -3.4870 -2.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8130 -2.8550 -1.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4670 -1.6730 -1.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1990 -1.1190 -1.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8520 0.5680 -7.3500 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4190 1.2480 0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 1.4900 -0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 1.2450 0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4820 -1.4780 0.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6630 0.9240 -4.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0370 1.2620 -6.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3440 -0.6710 -4.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9100 -3.4460 -3.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1570 -4.4160 -3.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7970 -3.2890 -1.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1820 -1.1870 -0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9340 -0.2040 -0.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0860 -1.1530 1.3630 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 36 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 16 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 2 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 13 2 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 31 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 20 21 2 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 M CHG 1 36 -1 M END