FDA-ZINC08101153 MOE2007 3D CORINA 3.40 0006 02.08.2006 88 91 0 0 1 0 0 0 0 0999 V2000 0.0990 0.5960 1.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9430 -0.6650 1.1990 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9520 -0.9370 0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 -0.3980 1.6690 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3660 -0.1260 2.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9740 0.7480 0.8520 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9820 0.4760 -0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1300 2.0090 1.0460 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5570 2.8260 0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6980 1.7420 0.5770 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7070 1.4700 -0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1180 2.3660 2.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7600 3.6110 2.7150 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7460 3.6260 2.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9040 3.7760 4.2300 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5410 2.9840 4.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5370 5.1380 4.5290 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5400 5.1750 4.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6740 6.2380 3.9040 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1460 7.2070 4.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5380 5.9780 2.4020 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5220 6.0240 1.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9720 4.6830 2.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6280 7.0390 1.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 6.2320 4.5100 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6100 5.3310 5.9430 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3110 0.9980 1.2900 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3020 0.2410 0.5920 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0220 -0.8120 0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6820 0.4110 1.2660 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8940 -0.4340 1.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6760 0.4430 0.0840 C 0 0 3 0 0 0 0 0 0 0 0 0 8.3790 -0.3870 0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7790 0.2870 -1.1650 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7260 -0.7590 -1.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4760 0.7540 -0.7460 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3120 1.1460 -2.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5390 0.9000 -3.4900 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3740 1.6890 0.0500 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6040 1.6850 0.7770 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4350 1.2850 1.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1380 3.1160 0.8840 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4310 3.7280 1.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4860 3.0970 1.6110 C 0 0 3 0 0 0 0 0 0 0 0 0 11.3460 2.7280 2.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4470 2.1720 0.8580 C 0 0 3 0 0 0 0 0 0 0 0 0 13.3910 2.1090 1.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8240 0.7780 0.7520 C 0 0 3 0 0 0 0 0 0 0 0 0 11.6840 0.3660 1.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5600 0.8710 0.0940 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7520 -0.1360 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6820 2.6920 -0.4520 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0260 4.4190 1.6530 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7330 1.6360 1.9990 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1630 -1.5760 1.4860 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9210 0.4060 1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 0.8680 2.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0340 2.8350 0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 6.9320 2.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0110 8.0310 2.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 5.9620 0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3910 6.3860 5.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0020 6.1750 6.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 2.8110 4.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2380 2.2000 -2.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3540 0.8920 -2.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8220 1.4120 -4.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8920 0.2760 -1.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7170 -0.2060 0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2300 -1.4280 -0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0730 3.5770 -0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8810 4.4810 2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4380 3.6950 -0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0870 1.6930 2.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8400 -2.3450 1.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5780 -1.9610 1.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1120 2.9530 0.7640 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1640 3.2060 1.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5990 6.8660 0.3220 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 7.6080 -0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5800 3.6990 4.8610 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6410 3.8700 5.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1540 -1.4740 -0.1520 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7480 -2.0970 -0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3140 3.6760 -0.4630 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7260 4.5960 -0.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3680 -1.7660 1.9840 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9430 -2.5920 1.9230 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 56 1 0 0 0 0 1 57 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 87 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 55 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 27 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 77 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 81 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 26 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 59 1 0 0 0 0 24 60 1 0 0 0 0 24 79 1 0 0 0 0 25 62 1 0 0 0 0 26 63 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 36 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 54 1 0 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