IFLAB-ZINC04939816 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 40 0 0 1 0 0 0 0 0999 V2000 -0.0070 1.4050 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -0.0240 0.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 -0.5830 -1.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6220 -2.1100 -1.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3120 -2.7090 -2.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9330 -4.7860 -3.3290 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7450 -4.1770 -4.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3710 -6.1920 -3.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 -6.0980 -3.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 -5.0140 -3.9940 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7950 -7.2200 -4.1600 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1700 -7.1400 -4.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6920 -6.0550 -5.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0490 -5.9790 -5.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8900 -6.9820 -4.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3740 -8.0630 -4.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0160 -8.1480 -3.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7490 -6.8740 -5.2220 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.4170 -4.8720 -3.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8820 -4.4650 -2.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0150 1.7840 0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 1.7700 -0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 1.7520 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 -0.2600 -2.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6940 -0.2460 -1.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 -2.4340 -0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4130 -2.4480 -0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7940 -2.3860 -3.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3480 -2.3720 -2.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9180 -6.6790 -4.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 -6.7750 -2.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3510 -8.0820 -4.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0360 -5.2720 -5.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4550 -5.1360 -5.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0320 -8.8440 -3.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6130 -8.9950 -3.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2780 -4.1750 -2.1650 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6960 -4.4970 -1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2230 -5.3990 -4.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1680 -5.4320 -3.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 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 3 4 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 19 1 0 0 0 0 6 37 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 32 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 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 37 38 1 0 0 0 0 39 40 1 0 0 0 0 M END