CHEMBRIDGE-ZINC04951249 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 29 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3770 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 1.2080 -0.6810 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 0.0220 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3880 1.4030 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 3.4830 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 4.1970 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3540 5.4860 0.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5340 6.1850 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5230 7.5810 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7130 8.2780 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9180 7.5960 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9360 6.2120 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7520 5.5030 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5450 8.5590 -0.0240 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 -2.1610 -0.0210 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1760 -2.7810 -0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2850 -2.7580 -0.0350 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3390 -0.5100 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3180 1.9510 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 3.9590 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5830 8.1140 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7050 9.3580 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8790 5.6850 -0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7680 4.4230 -0.0090 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 20 1 0 0 0 0 2 3 2 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 17 1 0 0 0 0 4 5 2 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END