IBS-ZINC02224178 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 1 0 0 0 0 0999 V2000 0.1220 1.8480 0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.3240 0.3670 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4470 -0.0980 -0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8340 -0.2180 1.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3300 -0.4010 2.6660 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2650 -0.4900 1.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9940 -0.2600 0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2900 -0.6500 0.4080 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0370 -0.5920 -0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4360 -1.1340 1.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1870 -1.0440 2.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0760 -1.4840 3.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -1.9910 4.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4280 -2.0670 3.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5710 -1.6390 2.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0140 -0.3150 -0.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3750 -1.0290 -0.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6380 -0.1870 1.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2790 0.5180 1.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6580 -0.9780 0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7020 -0.1380 0.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2520 0.9800 0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1970 1.7760 0.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6010 1.4670 2.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0640 0.3570 2.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1200 -0.4440 2.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1600 2.1470 0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4810 2.2650 -0.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1840 2.3200 1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7190 0.1490 -0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1240 -1.4300 4.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1140 -2.3280 5.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2910 -2.4640 4.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5310 -1.6990 1.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3710 -0.9000 -1.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1410 0.6760 -1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8600 -1.0150 -1.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2700 -2.0640 -0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5310 -1.1960 1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2990 0.4090 2.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4540 1.5440 1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8400 0.5890 2.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5290 -1.9510 0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9740 -1.1670 -0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9590 1.2380 -0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6230 2.6390 0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3360 2.0880 2.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3840 0.1160 3.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7170 -1.3050 2.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3900 -0.2040 0.4400 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2980 -0.3170 0.1470 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.4450 0.6350 -0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 50 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 10 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 12 13 1 0 0 0 0 12 31 1 0 0 0 0 13 14 2 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 16 50 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 17 51 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 51 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 25 2 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 51 1 M END