IFLAB-ZINC02712695 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 0.6750 2.9070 -0.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 1.4970 -0.5310 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9810 1.6070 -0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5760 0.7660 0.7850 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0160 -0.1530 0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0470 0.3590 0.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3730 -0.9760 0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7040 -1.3850 0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7300 -0.4690 0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4260 0.8570 0.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0940 1.2710 0.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 0.7560 3.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 1.5710 4.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5050 2.7110 3.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2430 1.9390 2.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 2.6990 5.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3940 0.6950 -1.7430 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3570 -0.3560 -2.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8260 -0.8470 -1.6380 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3390 -0.9370 -3.3300 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 -1.7920 -4.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3850 -2.0120 -4.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6900 -2.8540 -5.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 -3.4790 -6.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6540 -3.2550 -6.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9570 -2.4140 -5.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6280 -2.1640 -4.7560 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.7490 2.8920 -0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 3.3890 -1.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4960 3.5430 0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5920 -1.7140 0.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9430 -2.4200 0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7670 -0.7890 0.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2300 1.5710 1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9010 2.3160 1.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6920 0.5510 3.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -0.1860 3.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5840 0.9580 5.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9560 2.4640 4.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 3.6720 3.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5780 2.9330 3.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8340 1.0180 2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4820 2.5880 1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8120 3.6390 5.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1190 2.1030 6.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4430 2.9330 5.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2420 0.9450 -2.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3360 -0.7450 -3.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2150 -1.5170 -4.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7290 -3.0130 -6.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9200 -4.1300 -7.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4460 -3.7360 -6.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2290 1.5490 2.0760 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7820 2.4130 2.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1030 1.9450 4.6780 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 17 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 53 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 2 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 12 53 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 13 55 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 14 55 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 15 53 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 16 55 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 25 2 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END