IFLAB-ZINC05258473 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 42 0 0 1 0 0 0 0 0999 V2000 1.0230 1.1500 0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3300 3.1030 1.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2860 3.5260 2.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6150 5.0110 2.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3290 6.9310 3.5870 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3290 7.4570 2.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5130 7.3570 4.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8410 6.8550 3.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8800 5.7760 3.3330 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9020 7.6810 4.2340 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2680 7.5040 3.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7400 6.4080 3.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1000 6.2850 2.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0050 7.2570 3.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5560 8.3560 4.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1970 8.4780 4.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6510 10.0060 5.3060 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.0590 7.2040 4.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6230 6.1170 4.9410 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2100 0.1010 0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9410 1.7350 0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5850 1.2460 -0.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7950 3.1930 0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5990 3.6810 1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2090 2.9350 2.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 3.3170 3.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 5.6070 2.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2210 5.2360 1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4120 6.9670 5.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5310 8.4510 4.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7090 8.5260 4.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0770 5.6240 2.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4510 5.4260 2.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0600 7.1570 3.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2700 9.1100 4.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 1.6650 1.2840 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8080 1.0810 1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4310 1.5320 2.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3960 5.4280 3.2860 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.3940 5.1210 3.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9200 5.0580 4.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6370 8.3820 4.4690 O 0 5 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 18 1 0 0 0 0 5 39 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 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 31 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 18 19 2 0 0 0 0 18 42 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 M CHG 1 36 1 M CHG 1 39 1 M CHG 1 42 -1 M END