FDA-ZINC08101165 MOE2007 3D CORINA 3.40 0006 02.08.2006 91 94 0 0 1 0 0 0 0 0999 V2000 0.0880 1.7540 -0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 0.2660 -0.1050 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1080 -0.2960 -0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5130 -0.2940 1.1360 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1530 0.1950 2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0380 -0.1230 0.9910 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3810 -0.6980 0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 1.3790 0.8080 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4710 1.4920 0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6090 1.9800 -0.3870 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9800 1.5700 -1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0380 2.1420 1.9920 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1160 2.1980 2.9540 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8110 1.3680 2.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5410 2.1060 4.3870 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9530 1.1940 4.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6630 2.2610 5.4250 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3350 1.3970 5.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4410 3.5610 5.1410 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2410 3.6970 5.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9660 3.5290 3.6940 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6240 2.6620 3.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8570 3.4110 2.7640 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7390 4.8020 3.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4360 4.6040 2.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7630 4.5540 1.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5090 4.6620 5.2720 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9770 5.3800 5.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0640 2.3010 6.7270 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7780 2.2740 7.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6570 -0.6130 2.1860 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6110 -1.6590 1.9940 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0850 -2.5580 1.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3620 -1.9430 3.2960 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7460 -2.4380 4.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5400 -2.7880 2.8150 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2560 -3.8490 2.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7320 -2.3230 1.3570 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5480 -3.1730 0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6680 -1.3660 1.0630 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0910 -1.7140 1.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2400 -1.5980 -0.3860 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5300 -1.0070 -0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6710 -2.5350 3.6590 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2780 -3.7390 4.1670 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5000 -4.3300 4.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3500 -3.3300 5.1960 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9610 -2.6560 5.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9980 -4.6010 5.7700 C 0 0 3 0 0 0 0 0 0 0 0 0 8.2510 -5.1780 6.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6000 -5.4730 4.6250 C 0 0 3 0 0 0 0 0 0 0 0 0 9.8380 -6.4500 5.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4940 -5.7260 3.5580 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7080 -6.3500 4.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8470 -4.5120 3.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0480 -6.4640 2.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5920 -4.7600 4.0840 O 0 5 0 0 0 0 0 0 0 0 0 0 10.0360 -4.2340 6.6850 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8590 -4.4780 6.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8640 -0.7270 3.8850 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7450 -0.9700 4.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1510 -1.6720 1.2400 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 -2.0330 2.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4070 2.1270 -1.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 2.3210 0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0780 5.6660 3.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4860 5.0300 4.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 -0.7140 1.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9100 -2.3470 1.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8130 -5.8870 1.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4240 -7.4620 2.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8720 3.4530 -0.4310 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8310 3.6540 -0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8020 3.8450 0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2350 3.9750 -1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5800 3.2400 4.6380 N 0 3 0 0 0 0 0 0 0 0 0 0 1.1130 3.1080 5.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9020 3.3840 3.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1570 4.1130 4.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9470 -6.6270 1.3340 N 0 3 0 0 0 0 0 0 0 0 0 0 8.3000 -6.9750 0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5260 -5.7010 1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2110 -7.2610 1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4550 -2.5690 4.5030 N 0 3 0 0 0 0 0 0 0 0 0 0 10.0570 -2.0850 5.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1410 -1.9650 3.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0880 -3.3460 4.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6620 -0.0090 0.0250 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7430 -0.9760 0.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1620 0.0060 -0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1780 0.5980 0.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 1 0 0 0 0 1 64 1 0 0 0 0 1 65 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 88 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 62 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 31 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 10 11 1 0 0 0 0 10 72 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 76 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 29 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 27 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 24 66 1 0 0 0 0 24 67 1 0 0 0 0 25 26 1 0 0 0 0 27 28 1 0 0 0 0 29 30 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 40 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 60 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 44 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 38 41 1 0 0 0 0 41 42 1 0 0 0 0 41 68 1 0 0 0 0 41 69 1 0 0 0 0 42 43 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 45 55 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 47 84 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 49 58 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 51 57 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 53 56 1 0 0 0 0 56 70 1 0 0 0 0 56 71 1 0 0 0 0 56 80 1 0 0 0 0 58 59 1 0 0 0 0 60 61 1 0 0 0 0 62 63 1 0 0 0 0 72 73 1 0 0 0 0 72 74 1 0 0 0 0 72 75 1 0 0 0 0 76 77 1 0 0 0 0 76 78 1 0 0 0 0 76 79 1 0 0 0 0 80 81 1 0 0 0 0 80 82 1 0 0 0 0 80 83 1 0 0 0 0 84 85 1 0 0 0 0 84 86 1 0 0 0 0 84 87 1 0 0 0 0 88 89 1 0 0 0 0 88 90 1 0 0 0 0 88 91 1 0 0 0 0 M CHG 1 57 -1 M CHG 1 72 1 M CHG 1 76 1 M CHG 1 80 1 M CHG 1 84 1 M CHG 1 88 1 M END