IFLAB-ZINC04279985 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 51 0 0 1 0 0 0 0 0999 V2000 -0.0610 1.3820 -3.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6980 0.0980 -2.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 0.1380 -0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 0.0340 0.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -2.0320 -1.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8720 -2.7050 -2.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6370 -4.2130 -2.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7200 -6.1450 -4.3390 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4260 -6.7080 -3.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7160 -6.9310 -5.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0700 -7.0870 -4.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4690 -6.2020 -3.7710 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7450 -8.2300 -4.9180 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0260 -8.6550 -4.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8230 -7.9540 -3.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0830 -8.4440 -3.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5510 -9.6390 -3.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7690 -10.3490 -4.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5110 -9.8570 -5.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0980 -10.2380 -3.3030 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 -5.8210 -5.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4050 -4.6190 -5.6930 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 2.1400 -2.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9450 1.1960 -3.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6620 1.8020 -4.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7020 0.2600 -2.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7640 -0.6200 -3.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9970 -0.3480 0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 1.1930 -0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9740 0.5100 0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9140 0.5400 1.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3640 -1.0040 0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0640 -2.2550 -1.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3150 -2.3650 -0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6450 -2.2990 -3.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9310 -2.4950 -2.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0230 -4.6920 -1.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4320 -4.4320 -2.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 -7.9200 -5.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8910 -6.4310 -6.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2810 -8.8410 -5.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4960 -7.0200 -3.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6890 -7.8840 -2.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1270 -11.2820 -5.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9200 -10.4310 -5.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 -0.5170 -1.7010 N 0 3 0 0 0 0 0 0 0 0 0 0 1.1420 -0.3200 -1.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3400 -4.8260 -3.8600 N 0 3 0 0 0 0 0 0 0 0 0 0 1.1670 -4.2300 -4.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3640 -4.9600 -3.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 -6.7280 -5.4520 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 2 46 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 46 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 5 46 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 7 48 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 21 1 0 0 0 0 8 48 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 21 22 2 0 0 0 0 21 51 1 0 0 0 0 46 47 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 M CHG 1 46 1 M CHG 1 48 1 M CHG 1 51 -1 M END