FDA-ZINC08101153 MOE2007 3D CORINA 3.40 0006 02.08.2006 92 95 0 0 1 0 0 0 0 0999 V2000 0.1900 0.1200 1.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8410 -1.2430 1.9080 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8450 -1.8220 0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2740 -1.1240 2.4500 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2840 -0.6810 3.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1400 -0.3010 1.4780 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1890 -0.8380 0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5160 1.1080 1.2870 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1070 1.6750 0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 0.9610 0.7330 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0930 0.4940 -0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5320 1.7910 2.5810 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9210 3.1630 2.4290 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8390 3.1980 1.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1870 3.9080 3.7550 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9880 3.4460 4.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4360 5.4130 3.4650 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3980 5.5360 2.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2860 5.9900 2.5860 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4410 7.0550 2.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2130 5.1340 1.3120 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1920 5.1160 0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8580 3.8050 1.7410 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 5.5190 0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 5.8260 3.3330 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4860 6.5970 3.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5190 6.0950 4.7220 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5930 7.0560 4.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4680 -0.1940 2.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4930 -0.1390 1.0170 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6240 -1.1360 0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8060 0.3580 1.6410 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3660 -0.4350 2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5200 0.9390 0.4230 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9130 0.1110 -0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 1.5610 -0.3550 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5300 1.4670 -1.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1880 0.7700 -0.0500 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0830 3.0360 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9080 3.4860 -0.7270 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0920 3.4040 -1.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5490 1.8860 0.6980 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8220 1.2910 0.9980 C 0 0 3 0 0 0 0 0 0 0 0 0 9.6910 0.5300 1.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7630 2.4060 1.5100 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3540 2.9380 2.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1690 1.8260 1.7590 C 0 0 3 0 0 0 0 0 0 0 0 0 12.1280 1.1040 2.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7150 1.1400 0.4710 C 0 0 3 0 0 0 0 0 0 0 0 0 13.6030 0.5670 0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6630 0.1050 -0.0160 C 0 0 3 0 0 0 0 0 0 0 0 0 11.5700 -0.6880 0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3430 0.6730 -0.1880 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0670 -0.5450 -1.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8610 2.1040 -0.4430 O 0 5 0 0 0 0 0 0 0 0 0 0 13.0730 2.8720 2.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6190 2.9980 1.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5240 1.3690 2.6160 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7580 1.0270 3.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7740 -2.4580 2.5860 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7080 -2.3790 2.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 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0 0 0 10.0820 -0.9030 -1.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8690 -2.2720 -1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9250 3.4480 0.4280 N 0 3 0 0 0 0 0 0 0 0 0 0 11.3670 4.2990 0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0700 3.6270 -0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6730 3.0230 -0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -2.0770 2.8620 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6410 -2.8990 3.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8220 -2.4480 2.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1680 -1.6130 3.7530 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 62 1 0 0 0 0 1 63 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 89 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 60 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 29 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 70 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 77 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 27 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 25 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 64 1 0 0 0 0 24 65 1 0 0 0 0 24 74 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 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 38 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 58 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 42 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 39 1 0 0 0 0 39 40 1 0 0 0 0 39 66 1 0 0 0 0 39 67 1 0 0 0 0 40 41 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 43 53 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 45 85 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 47 56 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 49 55 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 51 54 1 0 0 0 0 54 68 1 0 0 0 0 54 69 1 0 0 0 0 54 81 1 0 0 0 0 56 57 1 0 0 0 0 58 59 1 0 0 0 0 60 61 1 0 0 0 0 70 71 1 0 0 0 0 70 72 1 0 0 0 0 70 73 1 0 0 0 0 74 75 1 0 0 0 0 74 76 1 0 0 0 0 77 78 1 0 0 0 0 77 79 1 0 0 0 0 77 80 1 0 0 0 0 81 82 1 0 0 0 0 81 83 1 0 0 0 0 81 84 1 0 0 0 0 85 86 1 0 0 0 0 85 87 1 0 0 0 0 85 88 1 0 0 0 0 89 90 1 0 0 0 0 89 91 1 0 0 0 0 89 92 1 0 0 0 0 M CHG 1 55 -1 M CHG 1 70 1 M CHG 1 77 1 M CHG 1 81 1 M CHG 1 85 1 M CHG 1 89 1 M END