IFLAB-ZINC04033466 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -1.9980 0.0050 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3920 -2.8230 1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3830 -2.6010 2.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3610 -3.6740 3.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3490 -4.9720 2.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3570 -5.2090 1.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3800 -4.1370 0.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3940 -4.0500 -0.7380 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -2.7990 -1.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4460 -2.3080 -2.5200 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4490 -1.2190 -2.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2590 -2.8850 -3.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8360 -3.1440 -4.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1820 -3.3320 -5.7050 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1790 -3.1360 -4.6480 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6580 -2.8890 -3.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0150 -3.3360 -5.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4290 -4.6180 -6.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2530 -4.8130 -7.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6660 -3.7320 -7.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2550 -2.4540 -7.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4360 -2.2520 -6.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8810 -0.5030 -6.0560 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3920 -1.5920 2.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3540 -3.5020 4.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3320 -5.8030 3.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3470 -6.2240 1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5520 -2.1590 -3.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 -3.8150 -2.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9800 -3.8230 -2.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4770 -2.1700 -3.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1070 -5.4630 -5.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5760 -5.8100 -7.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3100 -3.8880 -8.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5790 -1.6130 -8.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 12 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 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 M END