IFLAB-ZINC04279519 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 39 0 0 1 0 0 0 0 0999 V2000 -0.3010 1.3200 0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -0.1540 0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6530 -0.5820 -1.1300 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0070 -0.2290 -1.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 -2.1050 -1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0390 -2.4170 -0.4560 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1270 -3.3900 -0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4650 0.3090 -2.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9590 0.6270 -2.6580 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1380 1.5710 -2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5580 0.6810 -4.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9310 1.0570 -3.9200 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6510 1.2310 -5.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9570 1.6930 -4.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8010 1.9150 -5.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3350 1.6700 -7.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0370 1.2050 -7.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1950 0.9840 -6.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4700 1.9690 -8.7440 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.5990 -0.4040 -1.8890 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5630 -0.2780 -2.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5690 1.9740 0.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0180 1.5660 -0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7690 1.5500 1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7940 -0.3720 1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8210 -0.7420 0.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -2.6500 -0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0070 -2.4320 -2.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8690 1.1400 -3.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 -0.6000 -3.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5020 -0.3100 -4.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0210 1.4240 -4.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3230 1.8870 -3.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8120 2.2770 -5.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6700 1.0100 -8.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1930 0.6180 -6.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0190 0.0320 -1.2950 N 0 3 0 0 0 0 0 0 0 0 0 0 2.1570 0.8560 -0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6850 -0.6820 -0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 37 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 20 21 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 M CHG 1 37 1 M END