ANALYTICONDISCOVERY-ZINC04222352 MOE2007 3D CORINA 3.40 0006 02.08.2006 78 81 0 0 1 0 0 0 0 0999 V2000 -1.2850 1.3370 -0.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -0.1500 -0.6420 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2070 -0.4530 0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2450 -0.1930 1.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 -1.1130 2.0930 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1300 -2.1520 1.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5780 -0.7770 1.1470 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1630 -0.9890 -0.2970 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9460 -2.0450 -0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3420 -0.5400 -1.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8950 -0.4640 -2.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6160 -0.4420 -3.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4900 -0.3680 -4.3420 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5730 -0.3310 -5.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9410 -0.3890 -4.0240 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6180 -0.2540 -6.4340 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8040 -0.1450 -7.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8360 -0.1940 -6.4290 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8490 0.0390 -8.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2920 0.2930 -9.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9780 1.2340 -8.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3220 -1.2240 -9.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4280 -0.5000 -2.0500 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0010 -1.5020 -2.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 0.5090 -2.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2900 0.0440 -3.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8220 -0.8940 -4.3640 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 0.6690 -4.2160 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0320 1.7120 -3.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9440 0.3050 -5.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4520 1.2760 -6.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 2.3610 -6.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7800 3.2510 -7.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 3.0570 -8.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7710 1.9720 -8.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 1.0790 -7.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7770 -1.6710 1.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9780 0.6870 1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5380 0.8640 2.6400 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8400 -0.9120 3.4460 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8150 1.8600 -1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3670 1.4560 -0.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 1.7550 0.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5020 -1.4970 0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 0.1840 0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5770 -0.4030 2.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5530 0.8480 1.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1570 -1.2580 -1.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6850 0.4420 -0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7960 -0.2790 -6.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6670 1.1930 -8.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3240 0.4260 -10.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9120 -0.5580 -8.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9330 1.0080 -8.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0960 1.4350 -10.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2840 2.1100 -8.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9420 -2.0750 -8.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3540 -1.0900 -10.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2930 -1.4050 -8.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1760 1.4820 -2.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 0.5920 -1.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7840 1.2610 -2.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5090 2.4370 -4.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2810 2.2150 -2.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0330 0.3410 -5.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6240 -0.7030 -5.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1930 2.5130 -6.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3880 4.0990 -8.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 3.7530 -9.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 1.8200 -8.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 0.2290 -6.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0900 -1.5010 2.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6000 -1.4340 0.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4950 -2.7170 1.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0980 1.3210 1.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7170 0.9620 0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8140 1.7700 2.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1520 -1.0970 4.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 44 1 0 0 0 0 3 45 1 0 0 0 0 4 5 1 0 0 0 0 4 46 1 0 0 0 0 4 47 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 40 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 7 38 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 48 1 0 0 0 0 10 49 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 23 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 50 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 30 31 1 0 0 0 0 30 65 1 0 0 0 0 30 66 1 0 0 0 0 31 32 1 0 0 0 0 31 36 2 0 0 0 0 32 33 2 0 0 0 0 32 67 1 0 0 0 0 33 34 1 0 0 0 0 33 68 1 0 0 0 0 34 35 2 0 0 0 0 34 69 1 0 0 0 0 35 36 1 0 0 0 0 35 70 1 0 0 0 0 36 71 1 0 0 0 0 37 72 1 0 0 0 0 37 73 1 0 0 0 0 37 74 1 0 0 0 0 38 39 1 0 0 0 0 38 75 1 0 0 0 0 38 76 1 0 0 0 0 39 77 1 0 0 0 0 40 78 1 0 0 0 0 M END