ASINEX-ZINC04854286 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 42 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 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9430 -0.2520 -0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4310 -1.9940 0.1620 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7010 -2.7430 0.3000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2130 -2.8450 -0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2350 -4.1040 0.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7320 -4.0640 0.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 -2.8810 0.2670 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 -5.1910 0.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5320 -5.1560 0.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1700 -6.3460 1.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3690 -7.3440 1.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 -6.7960 1.4230 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5380 -1.9810 1.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6220 -2.6040 1.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4160 -1.9200 2.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1210 -0.6050 3.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0380 0.0180 2.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2260 -0.6670 1.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1410 -0.0140 1.1450 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8960 -2.7790 3.5890 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 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 -4.2090 1.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6700 -4.9150 0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0610 -4.2710 0.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2400 -6.4630 0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -8.3400 1.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8510 -3.6310 1.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7420 -0.0650 3.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8150 1.0450 2.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 23 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 17 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 M END