IBS-ZINC04981083 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 -2.2300 0.2700 0.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 -0.5440 0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 -0.7580 1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2310 -1.7540 0.3780 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 -1.7890 -1.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7810 -1.1180 -0.9280 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -2.5070 -2.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -0.2650 2.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 1.0620 2.7030 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -1.1460 3.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0440 -2.5440 3.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1520 -3.0720 4.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1710 -4.2490 5.1650 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 -2.0560 5.7450 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 -0.7890 5.0090 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7060 -0.2140 5.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 0.0060 5.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3640 1.3840 5.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5460 2.0740 5.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7340 1.3710 5.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7520 0.0600 5.5430 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6480 -0.6280 5.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3410 -2.1910 7.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0570 -2.2330 7.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9360 -2.3740 9.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2070 -2.3110 11.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9990 -3.6280 9.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -3.2130 2.4680 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0460 1.3140 0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0650 -0.1050 -0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4730 0.1920 1.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 -3.5280 -2.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -1.9850 -3.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8190 -2.5280 -2.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4210 1.9060 5.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5380 3.1470 5.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6590 1.9010 5.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7020 -1.7000 5.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 -1.3400 7.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8720 -3.1130 7.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6070 -3.0840 7.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5880 -1.3110 7.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 -1.5240 9.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4050 -3.2960 9.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6240 -3.1430 11.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7300 -1.3710 11.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2140 -2.3440 11.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0980 -3.6440 8.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4450 -4.5070 9.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -3.6320 9.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1520 1.3020 3.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2780 -2.4150 9.9350 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 9 51 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 28 2 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 15 16 1 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 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 52 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 52 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 52 1 0 0 0 0 M END