ANALYTICONDISCOVERY-ZINC04221843 MOE2007 3D CORINA 3.40 0006 02.08.2006 66 67 0 0 1 0 0 0 0 0999 V2000 0.2120 1.5130 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1810 -0.0170 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8990 -0.5520 1.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2720 -0.4970 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3060 -2.0200 -0.0920 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6970 -2.4700 0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7270 -2.5050 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4040 -2.6650 -0.9580 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2460 -2.7600 1.2530 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6270 -3.2310 1.3760 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.8680 -3.8780 0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7840 -4.0160 2.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2270 -4.5070 2.8100 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.1760 -3.3070 2.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0190 -2.5230 1.5150 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.2600 -3.1700 0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5760 -2.0310 1.3860 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.3360 -1.3840 2.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4300 -1.2990 0.1670 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9060 -1.4020 1.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3810 -5.2800 4.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6340 -5.0640 5.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3500 -6.2100 4.2090 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5000 -6.9620 5.4580 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.2590 -6.3150 6.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9430 -7.4530 5.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8670 -6.2700 5.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4470 -5.6310 4.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2580 -4.5700 5.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3360 -4.3480 6.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3500 -5.5270 7.2380 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.5650 -8.1430 5.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8440 -8.3390 4.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5300 -8.9830 6.5020 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5420 -5.3550 1.7030 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2610 -3.7800 -1.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 1.8550 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2990 1.8950 -0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2890 1.8790 0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 -0.3820 -0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8760 -1.6420 1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9330 -0.2100 1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3980 -0.1870 2.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7480 -0.2070 0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8070 -0.0440 -0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7040 -2.6320 2.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1080 -4.8700 2.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5440 -3.3690 3.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2040 -3.6580 2.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9360 -2.6610 3.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0030 -0.5220 0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8400 -1.6400 1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9470 -6.3830 3.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2120 -8.0270 4.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0330 -8.0860 6.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2960 -5.9180 3.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7880 -3.9670 4.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9180 -3.5670 6.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1060 -8.8260 7.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9280 -9.7440 6.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4440 -5.7040 1.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0840 -4.4720 -1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4770 -3.8810 -0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2040 -4.0100 -2.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7730 -2.4040 -1.4060 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4710 -2.2880 -2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 40 1 0 0 0 0 3 41 1 0 0 0 0 3 42 1 0 0 0 0 3 43 1 0 0 0 0 4 5 1 0 0 0 0 4 44 1 0 0 0 0 4 45 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 65 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 46 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 12 13 1 0 0 0 0 12 47 1 0 0 0 0 12 48 1 0 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 51 1 0 0 0 0 20 52 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 32 1 0 0 0 0 26 27 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 28 2 0 0 0 0 27 31 1 0 0 0 0 28 29 1 0 0 0 0 28 56 1 0 0 0 0 29 30 2 0 0 0 0 29 57 1 0 0 0 0 30 31 1 0 0 0 0 30 58 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 35 61 1 0 0 0 0 36 62 1 0 0 0 0 36 63 1 0 0 0 0 36 64 1 0 0 0 0 36 65 1 0 0 0 0 65 66 1 0 0 0 0 M END