PUBCHEM-ZINC06168574 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 65 0 0 0 0 0 0 0 0999 V2000 -0.4990 1.6660 -0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3840 0.1440 -0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -0.2270 1.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7770 -0.4810 -0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4730 -0.3750 -1.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0090 0.5040 -2.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8020 0.0240 -3.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0510 -1.3440 -3.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5110 -2.2170 -2.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7270 -1.7350 -1.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2010 -2.5980 -0.5120 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7790 -3.6960 -2.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6680 -3.9580 -3.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4870 -4.1880 -1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4540 -4.4420 -2.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3390 0.8980 -4.1920 N 0 3 0 0 0 0 0 0 0 0 0 0 3.2910 1.8350 -3.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9790 2.1970 -2.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9100 3.2100 -2.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1700 3.8760 -3.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4990 3.5310 -5.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5580 2.5110 -5.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7390 1.9420 -6.0840 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6890 2.1920 -7.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0140 0.9550 -5.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0210 0.0910 -6.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 -0.1040 -5.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1620 -0.9130 -6.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8480 -1.5340 -7.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3920 -1.3490 -7.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3310 -0.5350 -7.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5490 -0.3500 -7.9180 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4520 5.2650 -4.0360 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.4940 2.1110 -0.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9550 1.9300 -1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1190 2.0400 0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3640 0.1470 1.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3380 -1.3120 1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 0.2180 1.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2330 -0.2170 -1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6950 -1.5660 -0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3970 -0.1070 0.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8150 1.5630 -2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6640 -1.7200 -4.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6700 -2.9410 -0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6120 -3.4260 -3.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8620 -5.0270 -3.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1640 -3.6070 -4.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8530 -4.0010 -0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6800 -5.2570 -1.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4310 -3.6560 -1.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -4.0920 -3.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6480 -5.5120 -2.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1790 -4.2550 -1.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7810 1.6830 -1.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4410 3.4890 -1.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7060 4.0530 -6.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4850 0.3780 -4.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1340 -1.0630 -5.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5780 -2.1660 -7.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6290 -1.8370 -8.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2150 -0.9940 -7.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 43 1 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 8 9 2 0 0 0 0 8 44 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 11 45 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 14 51 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 15 54 1 0 0 0 0 16 17 1 0 0 0 0 16 25 2 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 55 1 0 0 0 0 19 20 1 0 0 0 0 19 56 1 0 0 0 0 20 21 2 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 21 57 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 58 1 0 0 0 0 28 29 1 0 0 0 0 28 59 1 0 0 0 0 29 30 2 0 0 0 0 29 60 1 0 0 0 0 30 31 1 0 0 0 0 30 61 1 0 0 0 0 31 32 1 0 0 0 0 32 62 1 0 0 0 0 M CHG 1 16 1 M END