ASINEX-ZINC04454198 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 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 0.0240 -0.8250 1.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -2.1240 0.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -2.1090 -0.6490 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -2.8870 -1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -0.7690 -1.0640 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -3.1760 1.5490 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2140 -2.9300 2.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 -1.6920 3.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -0.4490 2.5800 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7380 0.2950 2.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3840 0.1090 2.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5180 -0.6670 2.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7570 -0.1550 3.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8640 1.1340 3.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7330 1.9130 3.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4900 1.4040 3.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3760 2.1700 3.5810 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5600 3.4930 4.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 4.1880 4.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0870 4.8730 5.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3070 -1.2190 2.9400 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 -1.5560 4.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7860 -1.4470 5.8870 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 -4.0000 3.6670 N 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 2.4360 -1.6730 2.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8320 1.5320 3.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8160 2.9180 4.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 3.4440 5.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 4.0510 3.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4740 4.1200 3.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 4.9410 6.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0430 5.3700 5.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4640 -4.9010 3.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6730 -3.8550 4.6060 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 11 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 30 1 0 0 0 0 15 16 1 0 0 0 0 15 23 1 0 0 0 0 16 17 2 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 22 2 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 24 25 3 0 0 0 0 26 38 1 0 0 0 0 26 39 1 0 0 0 0 M END