IBS-ZINC06785989 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 -4.5420 1.6460 1.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3730 0.6800 1.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3440 0.9210 -0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6680 0.5900 -2.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5040 -1.3550 0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5670 -2.4150 0.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9980 -3.7270 1.1230 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1430 -4.4250 2.3960 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6100 -3.8210 3.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4010 -5.6940 2.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9040 -5.7320 0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2760 -4.4610 0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9660 -4.1650 -0.9330 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1880 -6.7110 0.2490 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3320 -6.8250 3.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6630 -7.9540 2.6910 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9380 -6.5730 4.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5490 -7.3240 5.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1680 -7.0870 6.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2360 -6.1770 7.1020 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 -5.4850 6.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9570 -5.6400 4.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5850 -4.6330 2.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9770 -4.3620 4.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3010 -4.5490 4.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2530 -5.0080 3.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8740 -5.2890 2.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5520 -5.1110 1.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0470 -5.8500 1.1900 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.7250 2.0870 2.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3550 2.4650 0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4570 1.1320 1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4420 1.1750 2.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5990 -0.1060 2.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2820 0.7860 -0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6200 1.9600 -0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7360 0.7180 -2.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 1.2610 -2.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3920 -0.4350 -2.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7380 -1.2810 1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0070 -1.5990 -0.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1750 -2.1120 1.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2370 -2.5260 -0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0310 -6.4070 -0.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3010 -8.0720 5.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6140 -7.6390 7.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 -4.7810 6.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4220 -5.0670 4.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2550 -4.0040 4.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5910 -4.3370 5.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2820 -5.1480 3.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2780 -5.3450 0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1440 0.0260 0.3700 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.0670 -0.1060 -0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 53 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 53 1 0 0 0 0 4 37 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 40 1 0 0 0 0 5 41 1 0 0 0 0 5 53 1 0 0 0 0 6 7 1 0 0 0 0 6 42 1 0 0 0 0 6 43 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 2 0 0 0 0 14 44 1 0 0 0 0 15 16 2 0 0 0 0 15 17 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 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 22 48 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 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END