IBS-ZINC04955904 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 0 0 0 0 0 0 0 0999 V2000 0.1260 1.2490 1.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0990 1.9060 0.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2740 1.2540 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4710 -0.0740 0.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4800 -0.7270 1.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 -0.0630 1.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7340 -0.7560 2.2180 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8000 -0.2050 2.4280 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5320 -1.8760 2.6510 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7170 -0.7780 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7200 -2.0700 -0.1010 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5090 -2.7760 -0.1080 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5150 -4.1240 -0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5660 -4.7280 -0.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2430 -4.8670 -0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -6.2640 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -6.9120 -0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1420 -6.1660 -0.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0910 -4.8510 -0.5570 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -4.1880 -0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0900 -8.7960 -0.1300 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.7870 1.7630 1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 2.9290 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -1.7500 1.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6280 -0.2190 -0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6670 -2.2940 -0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1330 -6.8200 0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0930 -6.6690 -0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -3.1110 -0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2310 1.8990 -0.7420 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8340 2.4300 -0.2050 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 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 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 10 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 10 25 1 0 0 0 0 11 12 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 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 2 0 0 0 0 18 28 1 0 0 0 0 19 20 1 0 0 0 0 20 29 1 0 0 0 0 30 31 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END