IFLAB-ZINC04504628 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 30 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3760 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 -0.6830 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4160 0.0400 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 1.4200 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0870 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9990 2.4020 -0.0220 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.2480 -2.1610 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2070 -2.7880 -0.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4280 -2.8130 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4540 -4.2780 -0.0430 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6190 -4.6630 0.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7800 -4.7740 0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8840 -6.2840 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3200 -6.3400 -1.5230 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4420 -7.4440 -1.6980 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4390 -6.1820 -2.3850 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3520 -4.7910 -1.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9020 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.5580 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3620 -0.4790 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 3.1660 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2590 -2.3130 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6170 -4.2340 0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7740 -4.6350 1.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9150 -6.6290 0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 -6.8710 0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3120 -4.9920 -1.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7800 -4.0630 -2.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 19 1 0 0 0 0 2 3 2 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 2 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 22 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 M END