IFLAB-ZINC04279517 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 39 0 0 1 0 0 0 0 0999 V2000 0.2240 1.7420 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1900 0.2260 0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6410 -0.5210 -1.1810 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1200 -0.1290 -2.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4350 -2.0380 -1.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5060 -2.5420 -0.2230 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2900 -3.4730 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6580 -0.3720 -2.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0920 0.1520 -2.6840 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7470 -0.5770 -2.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6320 0.5170 -4.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9860 0.9400 -3.8860 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6880 1.2790 -5.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0280 1.6090 -4.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8610 1.9740 -5.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3480 2.0110 -7.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0130 1.6880 -7.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1820 1.3220 -6.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4670 2.5020 -8.5810 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.0690 1.3180 -1.8340 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9480 1.7400 -1.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 2.1180 -0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3810 2.0620 -0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1850 2.2180 0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8050 -0.0630 0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8410 -0.0640 0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 -2.2800 -0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4950 -2.5320 -2.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 0.2930 -3.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5920 -1.3980 -3.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5910 -0.3600 -4.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0470 1.3440 -4.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4300 1.5790 -3.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9000 2.2250 -5.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6080 1.7170 -8.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1490 1.0820 -6.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1210 -0.3250 -1.3540 N 0 3 0 0 0 0 0 0 0 0 0 0 2.4780 0.5660 -0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5470 -1.0770 -0.7740 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