NCID-ZINC05022589 MOE2007 3D CORINA 3.40 0006 02.08.2006 73 78 0 0 1 0 0 0 0 0999 V2000 0.3250 1.1940 0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2430 -0.1520 0.2210 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3930 -0.8820 0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6080 -0.1740 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5330 1.2070 0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4300 1.9690 0.2550 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8300 1.6410 0.0920 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6280 0.5320 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9250 -0.5820 0.0510 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2260 3.0360 0.0470 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6930 3.4770 -0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 3.8490 1.3240 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8620 4.9090 1.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2970 3.6630 2.0680 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3010 2.7010 2.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3160 3.6540 0.9390 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1530 2.9830 1.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6430 3.1140 -0.2290 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8660 5.0250 0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7050 4.8720 -0.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2320 4.2500 -1.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5130 4.6860 3.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7280 4.6830 3.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8870 3.4850 2.1400 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1320 3.2510 1.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3560 -2.2620 0.0860 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 -2.9500 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3040 -4.4580 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 -5.2050 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8090 -6.7120 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0780 -7.4000 -0.0390 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 -8.7810 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3380 -9.4860 -0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2740 -10.8680 -0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1640 -11.6230 -0.2550 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0590 -10.8550 -0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9670 -9.5100 -0.1740 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5780 -11.2860 -0.1950 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3650 -10.1660 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6510 -9.0600 -0.0550 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0320 -12.6600 -0.2580 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.2280 -13.2770 0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4140 -13.2280 -1.6470 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.4980 -13.6450 -2.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3140 -14.3970 -1.2050 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.7040 -15.2900 -1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9540 -13.9390 0.1110 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.8960 -14.7440 0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1570 -12.8480 0.6360 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4020 -13.4630 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8810 -13.1350 1.3200 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1790 -12.5760 1.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2550 -14.7020 -2.2290 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2060 -13.8490 -2.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1640 -12.4090 -2.3830 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6220 1.7210 0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7090 0.5860 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0660 5.7180 0.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4590 5.4680 1.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2390 -2.7540 0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4630 -2.7080 1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 -2.6290 -0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8640 -4.7050 -0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9200 -4.7850 0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5890 -4.9580 0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6450 -4.8780 -0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2550 -6.9520 -0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2050 -7.0350 0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9680 -6.9170 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 -11.3890 -0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4450 -10.2250 -0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4950 -12.5600 -0.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0560 -14.2400 -0.3940 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 56 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 8 57 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 24 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 22 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 26 60 1 0 0 0 0 27 28 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 28 29 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 30 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 30 31 1 0 0 0 0 30 67 1 0 0 0 0 30 68 1 0 0 0 0 31 32 1 0 0 0 0 31 69 1 0 0 0 0 32 33 1 0 0 0 0 32 37 2 0 0 0 0 33 34 2 0 0 0 0 33 40 1 0 0 0 0 34 35 1 0 0 0 0 34 38 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 36 70 1 0 0 0 0 38 39 1 0 0 0 0 38 41 1 0 0 0 0 39 40 2 0 0 0 0 39 71 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 41 49 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 43 55 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 45 53 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 47 50 1 0 0 0 0 50 51 1 0 0 0 0 50 72 1 0 0 0 0 50 73 1 0 0 0 0 51 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 55 -1 M END