IBS-ZINC04137408 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 -0.1630 0.7880 0.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8580 0.8690 3.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3400 2.7280 1.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9140 3.0870 0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0730 4.5400 0.0960 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0590 5.4750 -0.4000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8080 5.2390 -1.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6660 6.8570 -0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9590 6.6840 0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1720 5.2300 0.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1910 4.7400 0.8850 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7660 7.5690 0.4200 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 8.0470 -0.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6940 9.2180 -0.4270 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 8.0410 -1.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4800 7.1970 -2.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7130 7.1950 -3.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7210 8.0250 -2.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 8.8660 -1.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 8.8820 -0.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4950 9.6780 -1.0670 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7420 9.6150 -1.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1770 5.4010 0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4200 5.2560 -0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5540 5.1880 0.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4450 5.2650 2.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 5.4100 2.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 5.4840 1.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0640 5.5060 4.3520 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 -0.3000 0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8080 1.2050 0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4270 1.1000 -0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 1.3430 3.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7460 -0.2150 3.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6620 1.1780 3.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3690 3.2090 1.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0180 3.0730 2.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2360 2.7420 -0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8850 2.6070 0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1990 9.9970 -0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3060 6.5480 -2.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8920 6.5430 -3.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6850 8.0180 -3.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0900 9.5390 -0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1420 8.6020 -1.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5900 9.8820 -2.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4470 10.3110 -1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5050 5.1950 -1.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5240 5.0740 0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3310 5.2110 2.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9030 5.6020 2.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 1.2710 1.6650 N 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 52 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 52 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 52 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 11 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 40 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 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 51 1 0 0 0 0 M END