PUBCHEM-ZINC03746305 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 1.5030 1.4270 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8140 0.1000 0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8300 -0.8920 0.4650 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2630 -2.0640 0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8330 -2.9840 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2850 -4.2000 0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1880 -4.4940 1.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6360 -3.5850 2.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 -2.3530 2.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6650 -1.4110 3.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0960 -0.9330 4.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0420 -0.0240 5.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0520 0.7620 6.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1550 1.5780 6.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2440 1.6130 5.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2610 0.8430 4.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1480 0.0380 4.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8910 -0.7970 3.1680 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5130 -0.9460 2.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0390 2.2910 7.6960 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1470 3.0970 8.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2650 -1.2390 5.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1840 -2.1230 6.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0740 -3.3650 6.0500 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 -6.1510 2.2510 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.1610 1.3590 -0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 2.2210 -0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1320 1.7040 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1680 0.1920 1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2010 -0.1680 -0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9270 -2.7520 -1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0560 -4.9090 -0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 -3.8450 3.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 0.7250 6.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1100 2.2360 5.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1100 0.8750 3.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9040 3.5740 9.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0460 2.4900 8.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3250 3.8910 7.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 -0.2990 5.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8970 -1.7280 4.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2830 -1.5130 7.3710 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 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 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 22 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 34 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 42 1 0 0 0 0 M CHG 1 42 -1 M END