IBS-ZINC01755023 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 0.4090 1.1370 1.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3720 -0.3220 0.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7190 -1.1130 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7400 -2.4780 0.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 -3.0740 0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4350 -2.2900 -0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4540 -0.9240 0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2820 -4.4990 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -5.3340 0.9880 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -4.9510 -1.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -6.3960 -1.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 -6.5940 -3.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1420 -7.6920 -3.6140 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1510 -5.3340 -3.6530 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0940 -4.2420 -2.6790 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8170 -3.6770 -2.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 -3.3320 -2.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1310 -1.9510 -2.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2080 -1.0680 -2.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4810 -1.5670 -2.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6890 -2.9400 -2.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6040 -3.8160 -2.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5960 -0.6340 -2.3170 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.3980 0.5610 -2.5830 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6680 -1.0820 -1.8830 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.1860 -5.1090 -5.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5810 -5.2340 -5.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5230 -5.1210 -7.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8660 -5.2410 -7.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8950 -5.2890 -7.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 -7.2690 -0.7640 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8580 1.2740 2.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9940 1.6990 0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 1.5620 1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5620 -0.6720 1.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5990 -3.0760 1.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 -2.7360 -0.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3230 -0.3340 -0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1410 -1.5440 -3.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0290 -0.0030 -2.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6750 -3.3450 -2.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7790 -4.8810 -2.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 -4.1240 -5.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 -5.8610 -5.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0290 -6.1950 -5.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2370 -4.4550 -5.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0870 -4.1530 -7.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8610 -5.9010 -7.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3210 -6.2630 0.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7710 -5.2730 -9.2180 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 9 49 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 31 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 26 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 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 42 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 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 29 30 2 0 0 0 0 29 50 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M CHG 1 50 -1 M END