IFLAB-ZINC04317965 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 34 0 0 0 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 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -0.1400 2.4440 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9910 -0.8880 3.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4150 -0.1440 4.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7050 0.9860 4.1670 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 0.9940 3.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3530 2.3840 2.7680 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.4100 -0.6600 4.9720 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9500 -1.8630 4.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8220 -2.3000 5.4240 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 -2.5930 3.6430 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5850 -2.1430 2.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2300 -2.8140 1.8600 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1700 -3.8960 3.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8760 0.1040 6.1320 C 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 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 -1.5870 -1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8350 -1.5960 1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7350 -0.0630 1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9220 -4.0950 4.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6430 -3.8880 2.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4070 -4.6730 3.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7040 0.7470 5.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2090 -0.5830 6.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0590 0.7170 6.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 22 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 6 15 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 M END