IBS-ZINC05137602 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 0 0 0 0 0 0999 V2000 -0.2050 1.1510 1.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 -0.2610 1.7440 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2950 -0.7900 1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3430 0.0340 0.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4540 -0.5000 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5220 -1.8610 -0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4710 -2.6920 0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3560 -2.1520 0.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5390 -4.0680 0.0040 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3730 -4.8090 -0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4260 -6.1950 -0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 -6.8970 -0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9180 -6.2240 -0.3470 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9310 -4.9040 -0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1870 -4.2030 -0.1300 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1450 -4.2390 -0.2440 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2620 -5.1840 -0.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5870 -4.4320 -0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6760 -3.3520 -1.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4760 -2.4100 -1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1820 -3.2200 -1.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2350 -8.2780 -0.4580 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7240 -6.9060 -0.2200 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.3120 -7.1120 -1.2670 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2060 -7.2850 0.8330 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.6160 -2.3860 -0.7440 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6560 -1.4760 -1.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7200 1.4410 2.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 1.6690 1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0540 1.4190 2.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2920 1.0960 0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2680 0.1440 -0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5370 -2.7930 1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4010 -4.5030 -0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1890 -5.9440 0.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2190 -5.6610 -1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6370 -3.9660 0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4160 -5.1310 -0.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5980 -2.7860 -1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6650 -3.8210 -2.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5080 -1.9130 -0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5100 -1.6640 -1.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1440 -3.7060 -2.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3260 -2.5540 -1.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0760 -8.7620 -0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -8.7610 -0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2620 -0.7300 -1.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4670 -2.0230 -1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0340 -0.9800 -0.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 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 23 1 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 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 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 27 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END