IFLAB-ZINC05044013 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 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 1.0610 -0.5960 -0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 -0.6940 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2790 -2.1600 0.0030 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8340 -2.5780 -0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8020 -2.3950 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3860 -1.0010 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4320 -0.1350 0.0310 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8250 -0.6810 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2470 0.6510 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5930 0.9450 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5300 -0.0800 0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1150 -1.4060 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7710 -1.7090 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8560 0.2150 0.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7660 -0.8880 0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6370 -2.7520 1.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4840 -1.9840 2.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -2.5260 3.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 -3.8380 3.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3930 -4.6100 2.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 -4.0690 1.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 -4.8280 0.1040 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3130 -1.4720 5.0530 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1140 -2.9320 -0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0970 -2.9420 0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5190 1.4490 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9200 1.9750 0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8480 -2.2000 0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4500 -2.7400 0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6090 -1.4900 -0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5930 -1.5000 0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7900 -0.5140 0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8260 -0.9590 2.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 -4.2600 4.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 -5.6340 2.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3910 -4.7850 -0.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 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 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 15 2 0 0 0 0 11 12 2 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 24 41 1 0 0 0 0 M END