FDA-ZINC08101164 MOE2007 3D CORINA 3.40 0006 02.08.2006 91 94 0 0 1 0 0 0 0 0999 V2000 -0.1780 1.8730 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5860 0.4310 0.1220 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1090 0.0800 1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 -0.5150 -1.0520 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8680 -0.2510 -1.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -0.4440 -1.3700 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5400 -1.2080 -2.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5800 0.9820 -1.8580 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9800 1.2120 -2.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2530 2.0180 -0.7320 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3570 3.0380 -1.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9690 0.9700 -2.2690 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5010 2.2480 -2.6070 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7160 2.8460 -3.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7010 2.1340 -3.5650 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4590 1.5650 -4.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2020 3.5580 -3.8750 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4380 4.0990 -4.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5300 4.3120 -2.5680 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8230 5.3480 -2.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3330 4.2520 -1.6000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4730 4.7910 -2.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9250 2.8800 -1.3930 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 4.8300 -0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5040 4.6570 0.6310 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5980 5.3180 1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6650 3.6480 -1.9670 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4530 4.0020 -2.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3780 3.4500 -4.6810 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5280 4.3070 -5.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 -0.5770 -0.1330 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4890 -1.8400 0.1650 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7330 -2.6320 0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1530 -1.6860 1.5410 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5150 -2.0300 2.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4210 -2.5010 1.3790 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1670 -3.5630 1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7740 -2.2500 -0.0870 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3330 -3.1000 -0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5110 -2.1970 -0.7760 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5610 -0.9650 -0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7280 -0.7730 -1.8080 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8790 -1.6680 -2.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4210 -2.0650 2.2920 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8460 -3.0950 3.2090 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9710 -3.4510 3.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8480 -2.4300 4.1810 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4060 -1.5850 4.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4710 -3.4770 5.1090 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7050 -3.8780 5.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1070 -4.6250 4.2760 C 0 0 3 0 0 0 0 0 0 0 0 0 8.3610 -5.4210 4.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0110 -5.1990 3.3360 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2010 -5.6140 3.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4170 -4.1920 2.4830 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5750 -6.3280 2.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0870 -4.0830 3.5470 O 0 5 0 0 0 0 0 0 0 0 0 0 8.4810 -2.8560 5.9130 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3190 -3.2320 5.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4730 -0.2990 1.8160 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1910 -0.3380 2.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 -1.8240 -0.6440 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 -2.4280 -1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8670 2.2840 -0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 2.4910 0.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4790 4.3020 0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8860 5.8970 -0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0480 -0.0700 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5560 -1.0000 0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2670 -5.9560 1.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0430 -7.1250 3.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2780 1.9210 0.3530 N 0 3 0 0 0 0 0 0 0 0 0 0 3.1740 2.2690 -0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4900 0.9410 0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1230 2.5440 1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8420 1.4070 -2.9210 N 0 3 0 0 0 0 0 0 0 0 0 0 6.5870 1.2640 -3.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 0.4750 -2.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2640 2.0180 -2.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4560 -6.9520 1.6920 N 0 3 0 0 0 0 0 0 0 0 0 0 6.8100 -7.6180 0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9360 -6.2140 1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8050 -7.4550 2.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9850 -1.8400 3.3790 N 0 3 0 0 0 0 0 0 0 0 0 0 8.5880 -1.2640 3.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7150 -1.3990 2.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6000 -2.7030 3.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0460 0.3330 0.4140 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.6480 0.7220 -0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3150 0.7670 1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2880 -0.6730 0.4820 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