FDA-ZINC08101166 MOE2007 3D CORINA 3.40 0006 02.08.2006 91 94 0 0 1 0 0 0 0 0999 V2000 -0.4580 1.6680 0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8370 0.1820 0.5410 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4010 -0.2710 1.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4550 -0.6050 -0.7300 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6410 -1.6720 -0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -0.3810 -1.0810 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3090 -0.9610 -1.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2910 1.1260 -1.3190 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6620 1.4720 -2.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9730 1.9280 -0.0360 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0960 3.0020 -0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6660 1.2570 -1.6800 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0080 2.4200 -2.4440 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2350 2.6500 -3.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3390 2.0520 -3.1370 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2200 1.2060 -3.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9650 3.2750 -3.8090 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3310 3.5910 -4.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1010 4.4130 -2.7900 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5210 5.3120 -3.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7240 4.7010 -2.1690 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0130 5.0230 -2.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1730 3.5170 -1.5430 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8050 5.7770 -1.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4870 6.0560 -0.6140 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1030 5.2010 -0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0230 3.9730 -1.7650 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9070 4.2800 -2.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2430 2.9200 -4.3360 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5230 3.6120 -4.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7710 -0.7870 0.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8950 -1.6320 -0.1700 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5790 -2.5640 -0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5530 -1.8810 1.1820 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9720 -2.5240 1.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9040 -2.4560 0.7780 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8490 -3.5440 0.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1510 -1.8270 -0.6090 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1750 -2.6150 -1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9710 -1.0310 -0.9180 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4270 -0.9910 -0.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5810 -0.4580 -2.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9170 -1.1950 -2.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9050 -2.0910 1.7280 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 -3.0270 2.8150 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0760 -3.1640 3.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0460 -2.3860 3.8100 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7080 -1.4060 4.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3520 -3.3630 4.9480 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4490 -3.5330 5.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8780 -4.7090 4.3740 C 0 0 3 0 0 0 0 0 0 0 0 0 7.8970 -5.4190 5.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8330 -5.2460 3.3560 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8970 -5.4620 3.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5070 -4.2910 2.3170 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3250 -6.5480 2.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0220 -4.4380 3.7390 O 0 5 0 0 0 0 0 0 0 0 0 0 8.3430 -2.7900 5.8100 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1420 -3.3400 5.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7180 -0.6010 1.8450 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5700 -0.6650 2.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 -0.1730 -1.7810 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1670 -0.7440 -2.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1430 2.1760 -0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 2.1420 1.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3950 5.4440 -0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 6.7050 -1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3840 -0.1330 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3190 -1.5790 -0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1950 -6.3850 2.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5300 -7.3400 3.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9770 1.5990 1.0280 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8900 2.0000 0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1830 0.5710 1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 1.9520 1.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2370 1.5530 -2.0470 N 0 3 0 0 0 0 0 0 0 0 0 0 5.9680 0.8540 -2.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6690 1.0210 -1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7190 2.3580 -1.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2630 -7.0540 1.7790 N 0 3 0 0 0 0 0 0 0 0 0 0 6.6160 -7.8210 1.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9660 -6.2850 1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4470 -7.4040 2.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3510 -2.1300 3.1000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.9670 -1.5120 3.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2720 -1.8750 2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8410 -3.0900 3.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3220 0.0840 0.6920 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.7560 0.2470 -0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7300 0.7500 1.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6210 -0.8580 0.9800 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