IFLAB-ZINC04139680 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 -0.5360 2.8030 -0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4640 1.3780 0.0140 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0960 1.4250 0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2630 0.3340 -0.9180 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3280 -0.6160 -0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 0.0740 -2.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 -0.9560 -2.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9910 -0.9090 -3.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5110 0.1530 -4.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3850 1.0840 -3.5730 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4680 -0.4820 -1.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9040 -0.0760 -2.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6040 0.3010 -1.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9900 1.4270 -0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5490 1.1160 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8080 0.9390 0.4100 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9920 -0.1320 1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 -0.7760 1.6890 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3270 -0.3490 1.5340 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8880 -1.3710 2.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2840 -1.3870 2.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9160 -2.3680 3.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1520 -3.3400 3.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7660 -3.3370 3.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1360 -2.3550 2.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9250 -4.5490 4.8270 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4380 3.1640 -0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 2.8870 -1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 3.4890 0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6710 -1.7140 -1.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7130 -1.6190 -4.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7670 0.4250 -5.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9320 -0.7480 -2.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 -1.3170 -1.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4350 -0.9240 -2.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9320 0.7490 -2.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5800 1.6750 0.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0310 2.2890 -1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5030 0.2860 0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0940 2.0140 0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6120 1.4300 0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9830 0.2970 1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9030 -0.6380 1.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9990 -2.3640 3.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1650 -4.0940 4.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0530 -2.3880 2.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7390 0.6920 -1.2080 N 0 3 0 0 0 0 0 0 0 0 0 0 1.7230 1.4710 -1.8790 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 4 1 0 0 0 0 2 16 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 47 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 11 47 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 47 1 M END