CHEMBRIDGE-ZINC04311981 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3960 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 1.2330 -0.6620 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3580 0.0230 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3720 1.3420 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1930 2.0680 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 3.9590 0.0110 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.2610 -0.7730 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3270 -0.1900 0.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2290 -2.1200 0.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4810 -2.8820 0.0110 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2350 -2.3490 -0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2430 -4.2610 -0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8820 -4.1020 -2.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8220 -3.0000 -2.5540 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9600 -3.0450 1.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3220 -2.5730 2.3420 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 1.9370 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2630 -1.7410 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3170 1.8630 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3780 -2.5860 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 -4.7590 -0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1490 -4.8590 -0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6280 -5.1860 -2.8130 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0960 -3.7140 1.6830 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3630 -3.7930 2.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4010 -5.0340 -3.7410 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 18 1 0 0 0 0 2 3 2 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 19 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 20 1 0 0 0 0 6 7 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 21 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 14 15 2 0 0 0 0 14 24 1 0 0 0 0 16 17 2 0 0 0 0 16 25 1 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 M END