IBS-ZINC02249778 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 1 0 0 0 0 0999 V2000 -0.3550 1.4260 -0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 -0.0550 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0130 -0.6310 -0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 -2.0160 -0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -2.7580 0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1580 -2.1180 0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1350 -2.7630 0.7710 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2660 -0.7930 0.2150 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5610 -0.1360 0.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7190 0.2400 1.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3680 1.5080 2.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5300 1.8090 3.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0330 0.8420 4.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3560 -0.3530 4.0430 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2200 -0.6730 2.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1960 -4.2380 0.4830 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6610 -4.7470 0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4620 -4.7610 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4640 -3.9230 -0.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -2.5930 -0.3340 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5970 -4.4470 -1.0660 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6090 -6.1420 -0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 -6.6810 -1.2850 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3630 -6.8720 0.5080 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4700 -8.2720 0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 -4.5040 1.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 -3.9560 2.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 -4.2000 4.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 -4.9920 4.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7260 -5.5420 3.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7570 -5.2950 2.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7430 -5.8310 1.7810 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7180 -6.6340 2.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5860 1.8420 -0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 1.5970 -1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6300 1.9100 0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8570 -0.0320 -0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6090 0.7630 -0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3610 -0.8170 0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9770 2.2430 1.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2670 2.7860 4.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1620 1.0690 5.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5000 -1.6600 2.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6400 -5.3920 -1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3580 -3.8730 -1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1010 -8.7390 0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4780 -8.7240 0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9120 -8.4210 -0.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9830 -3.3370 2.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0290 -3.7710 4.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2970 -5.1810 5.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4850 -6.1610 4.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4460 -6.9990 1.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2260 -7.4820 2.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2270 -6.0360 3.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 2 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 4 5 2 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 16 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 13 14 2 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 26 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 29 30 2 0 0 0 0 29 51 1 0 0 0 0 30 31 1 0 0 0 0 30 52 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 53 1 0 0 0 0 33 54 1 0 0 0 0 33 55 1 0 0 0 0 M END