ASINEX-ZINC04712862 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -0.6070 -1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 0.1610 -2.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7810 -0.4550 -3.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8340 -1.8350 -3.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2740 -2.6020 -2.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6660 -1.9910 -1.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -2.8280 -0.0270 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8900 -2.4060 0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0340 -2.9460 1.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3120 -4.4280 1.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6550 -5.0520 0.3420 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 -4.2190 -0.4740 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 -4.6340 -1.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -5.9840 -1.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7950 -6.3920 -2.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5090 -5.4600 -3.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4290 -4.1160 -3.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6400 -3.7010 -2.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4070 -2.8460 -4.3280 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.1920 -5.0610 2.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4430 -6.3980 2.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3070 -6.7470 3.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7620 -5.7280 4.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 -4.2130 3.5010 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 1.2390 -2.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2190 0.1430 -3.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3140 -2.3140 -4.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3170 -3.6800 -2.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9540 -2.3970 0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5650 -2.5830 2.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4420 -6.7120 -1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8600 -7.4400 -3.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1300 -5.7820 -4.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5810 -2.6520 -2.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0030 -7.1230 1.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5940 -7.7700 3.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4430 -5.8210 4.9270 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 39 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 25 2 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 M END