NCID-ZINC04877564 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 33 0 0 1 0 0 0 0 0999 V2000 -0.1410 0.9500 -0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 -0.3760 -0.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4370 -0.4850 -0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2810 -1.5810 0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9410 -2.7600 0.3010 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5510 -1.1700 0.6470 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1920 -1.8960 0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9510 0.1540 0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2120 1.1580 0.2880 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9660 0.7940 -0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0070 1.6650 -0.5760 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 3.1080 -0.7460 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0450 3.4210 -0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 3.5660 -2.2340 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5290 2.9290 -2.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5450 4.9430 -2.1260 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1170 5.2930 -3.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 4.7220 -1.0570 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3980 4.2460 -1.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 3.7590 -0.1210 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9080 5.9740 -0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9540 5.6510 0.6330 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6460 4.8410 1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5310 5.9010 -1.7160 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3440 5.4240 -2.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4720 3.7500 -2.6400 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0910 -1.7920 -0.8350 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 1.4540 -1.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9890 0.2990 0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 6.3720 0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 6.7550 -0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 11 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 10 2 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 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 1 0 0 0 0 14 16 1 0 0 0 0 14 26 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 24 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 30 1 0 0 0 0 21 31 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 M CHG 1 26 -1 M END