IBS-ZINC04746215 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 0.1290 1.2330 0.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 -0.1440 0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2030 -0.8340 0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 -0.1280 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4840 1.2680 0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 1.9320 0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7520 2.0740 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3180 2.9210 -2.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8540 2.8780 -3.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2760 3.4210 -3.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2090 2.6680 -2.8990 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2430 1.6300 -3.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6670 2.7530 -1.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6150 3.2570 -2.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7760 4.4390 -3.2210 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6710 2.4440 -2.5050 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0260 3.0040 -2.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6760 2.8420 -1.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6460 1.3850 -0.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2250 0.8270 -0.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5970 1.0340 -2.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5420 -0.8960 -0.5060 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7630 -1.9890 0.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2200 -0.3820 -1.4120 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7590 1.7670 1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8600 -0.6800 0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 -1.9100 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 3.0070 0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6290 3.1010 0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5470 1.6110 0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2290 3.9480 -1.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3420 2.4280 -2.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8340 1.8450 -4.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1970 3.4610 -4.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6460 3.3300 -4.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2650 4.4940 -3.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2740 2.1670 -0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6150 3.7850 -1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6050 2.4670 -3.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0260 4.0610 -2.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7110 3.2010 -1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1400 3.4590 -0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3000 0.7850 -1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0390 1.3040 0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2340 -0.2400 -0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6130 1.3310 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5730 0.6610 -2.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1370 0.4530 -2.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2620 2.1850 -1.4290 N 0 3 0 0 0 0 0 0 0 0 0 0 4.3340 1.1980 -1.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 28 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 7 49 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 8 49 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 13 49 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M CHG 1 49 1 M END