NCID-ZINC05845863 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 51 0 0 1 0 0 0 0 0999 V2000 1.8510 1.4470 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4200 0.1540 -0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 -0.0470 -0.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 1.0330 -0.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 2.3220 -0.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0070 2.5570 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 3.8860 0.1650 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6580 4.2940 0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6460 3.5990 0.8210 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7450 6.0400 0.9530 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5110 6.3190 0.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9320 7.7940 0.6980 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6300 8.2430 1.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4630 7.8260 0.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0250 8.0020 -0.5020 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1290 7.5630 1.7520 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5830 7.4350 1.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0460 6.9900 3.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1300 7.0010 4.1250 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4350 8.6160 -0.4080 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2960 9.3880 -0.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5420 9.4430 0.6170 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0590 10.1750 -1.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9600 11.2310 -1.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8030 12.1200 -2.6920 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7560 12.5610 -3.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7660 13.2620 -2.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 13.1910 -3.4910 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3950 4.8580 -0.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4460 -1.7900 -1.2600 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.8630 1.5450 0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -0.6840 -0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7330 0.8910 -1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9870 3.1440 -0.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0850 5.7230 1.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 5.9280 -0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6630 7.4360 2.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9100 6.7110 1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0210 8.4100 1.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0080 8.6140 -1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9990 10.6620 -1.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 9.4610 -2.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0060 10.7420 -1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1970 11.8580 -0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8050 5.6870 0.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2610 6.6630 3.3380 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8730 14.0330 -1.5360 O 0 5 0 0 0 0 0 0 0 0 0 0 1.3100 11.3070 -3.8760 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4960 11.9450 -4.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8950 10.4020 -3.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9630 11.2610 -4.6610 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 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 29 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 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 46 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 48 1 0 0 0 0 27 28 2 0 0 0 0 27 47 1 0 0 0 0 29 45 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 48 51 1 0 0 0 0 M CHG 1 46 -1 M CHG 1 47 -1 M CHG 1 48 1 M END