FDA-ZINC08101163 MOE2007 3D CORINA 3.40 0006 02.08.2006 91 94 0 0 1 0 0 0 0 0999 V2000 0.0750 1.8440 -0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1620 0.3260 -0.2980 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1080 -0.0570 -1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 -0.4190 0.8210 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4760 -1.5030 0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0870 -0.0570 0.8760 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5690 -0.4710 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3450 1.4720 0.9030 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4180 1.6580 0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 2.1670 -0.2390 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0030 1.9010 -1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 2.0670 2.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0290 2.1880 3.0810 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7400 1.3720 2.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5290 2.1260 4.5420 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9780 1.2030 4.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7060 2.3420 5.5100 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3950 1.4910 5.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4370 3.6510 5.1440 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2800 3.8220 5.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 3.5930 3.6690 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5420 2.7370 3.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7070 3.4220 2.8240 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5930 4.8740 3.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2860 4.6170 2.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7720 5.4300 1.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4930 4.7350 5.3040 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9380 5.4270 5.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1870 2.4120 6.8450 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9380 2.4200 7.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6350 -0.6200 2.0750 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5820 -1.6700 1.8870 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0610 -2.5530 1.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2880 -1.9940 3.2060 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6490 -2.5260 3.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4990 -2.8060 2.7460 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2490 -3.8760 2.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7140 -2.3300 1.2960 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5250 -3.1680 0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6710 -1.3550 1.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0830 -1.7330 0.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2260 -1.5530 -0.4190 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5260 -0.9320 -0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6090 -2.5200 3.6100 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2220 -3.7040 4.1560 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4450 -4.2780 4.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2980 -3.2590 5.1670 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9110 -2.5620 5.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9540 -4.5090 5.7790 C 0 0 3 0 0 0 0 0 0 0 0 0 8.2120 -5.0690 6.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5530 -5.4160 4.6600 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7980 -6.3760 5.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4410 -5.7110 3.6110 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6610 -6.3210 4.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7870 -4.5160 3.1150 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9890 -6.4850 2.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5380 -4.7190 4.0880 O 0 5 0 0 0 0 0 0 0 0 0 0 9.9970 -4.1090 6.6750 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8180 -4.3720 6.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7460 -0.7950 3.8630 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6390 -1.0210 4.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 -0.0820 2.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 -0.4010 2.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4190 2.3340 -1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3890 2.2570 0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8860 5.6910 3.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3350 5.1790 3.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2140 -0.7580 1.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8890 -2.4000 1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7250 -5.9090 1.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3990 -7.4620 2.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7610 3.6450 -0.0850 N 0 3 0 0 0 0 0 0 0 0 0 0 2.7360 3.9230 -0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5930 3.9080 0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 4.2140 -0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5510 3.2400 4.8120 N 0 3 0 0 0 0 0 0 0 0 0 0 1.1490 3.1310 5.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8160 3.3240 4.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1040 4.1350 4.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8710 -6.7220 1.4420 N 0 3 0 0 0 0 0 0 0 0 0 0 8.2170 -7.0680 0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4000 -5.8220 1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1840 -7.3910 1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4000 -2.5170 4.4470 N 0 3 0 0 0 0 0 0 0 0 0 0 10.0070 -2.0190 5.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0860 -1.9310 3.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0300 -3.3050 4.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 0.0610 -0.1030 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9090 -0.8730 -0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2520 0.7520 -0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 0.0740 0.9200 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