FDA-ZINC03831104 MOE2007 3D CORINA 3.40 0006 02.08.2006 93 96 0 0 1 0 0 0 0 0999 V2000 -0.6420 2.0740 -0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5650 0.5460 -0.2380 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6100 0.2080 -0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 -0.0200 0.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6820 0.0770 0.9370 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9350 1.1430 0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2740 -0.5040 2.2620 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5890 -1.2880 2.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3050 0.6120 3.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6880 1.2290 3.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5970 -0.0010 3.0730 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7450 -1.0710 2.2630 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2690 -1.4090 0.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7650 -0.5280 -0.3010 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2050 -0.9120 -1.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2240 -0.5980 -0.3470 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9400 -1.6620 -0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5680 -0.0230 -1.6650 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0350 -0.0400 -1.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7860 -0.6320 -2.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 -1.3400 -3.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0610 -1.8260 -4.3910 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 -1.4670 -3.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9920 -0.8840 -2.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0370 1.4040 -2.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1900 0.8190 -0.1680 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0800 0.8610 0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7370 -2.4210 3.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9780 0.3220 2.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0780 1.0290 1.4580 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1910 -0.3390 3.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3780 -0.0310 2.3800 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5180 -0.5600 2.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5710 -1.2480 3.9180 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6980 -0.1630 2.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0060 -0.7410 2.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1930 -0.3340 1.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5020 -0.9150 2.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6880 -0.5040 1.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0000 -1.0830 1.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1940 -0.6890 1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0550 0.0620 0.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4310 -1.2130 1.4250 N 0 0 0 0 0 0 0 0 0 0 0 0 19.6760 -2.0670 2.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6080 -0.8850 0.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2810 0.3940 1.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8410 0.6400 0.2680 S 0 0 0 0 0 0 0 0 0 0 0 0 23.6240 -0.5170 0.6960 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4950 0.6620 -1.1510 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8030 -0.4470 4.4210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3190 2.5490 -0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0260 2.4590 -1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3260 2.4060 0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 0.4840 1.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1400 -1.0770 1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5130 1.3580 3.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2010 0.1790 4.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7310 1.8380 2.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9240 1.8830 4.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3640 -1.4410 0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 -2.4360 0.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8620 -0.6500 -2.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5170 -2.0360 -4.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0570 -0.9870 -3.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0580 1.4120 -2.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3970 1.8550 -2.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0370 2.0790 -1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1320 -3.1730 2.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7520 -2.8220 3.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 -2.3180 4.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2900 0.0450 4.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0340 -1.4230 3.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5210 -0.5280 1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7550 0.9310 2.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1680 -0.3960 3.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9360 -1.8350 2.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0310 -0.6810 0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2640 0.7600 1.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6640 -0.5680 3.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4320 -2.0090 2.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5240 -0.8460 0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7560 0.5910 1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1690 -0.7170 2.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9300 -2.1760 1.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0170 -3.0440 2.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4580 -1.6140 3.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7920 -2.2130 3.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2910 -1.7410 0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2960 -0.7770 -0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6530 1.2660 0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4780 0.3710 2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9360 0.3240 5.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2930 1.9190 0.8110 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 51 1 0 0 0 0 1 52 1 0 0 0 0 1 53 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 19 1 0 0 0 0 4 5 1 0 0 0 0 4 54 1 0 0 0 0 4 55 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 16 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 9 10 1 0 0 0 0 9 56 1 0 0 0 0 9 57 1 0 0 0 0 10 11 1 0 0 0 0 10 58 1 0 0 0 0 10 59 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 50 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 60 1 0 0 0 0 13 61 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 26 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 24 1 0 0 0 0 18 25 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 62 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 63 1 0 0 0 0 24 64 1 0 0 0 0 25 65 1 0 0 0 0 25 66 1 0 0 0 0 25 67 1 0 0 0 0 26 27 1 0 0 0 0 28 68 1 0 0 0 0 28 69 1 0 0 0 0 28 70 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 31 71 1 0 0 0 0 31 72 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 35 73 1 0 0 0 0 35 74 1 0 0 0 0 36 37 1 0 0 0 0 36 75 1 0 0 0 0 36 76 1 0 0 0 0 37 38 1 0 0 0 0 37 77 1 0 0 0 0 37 78 1 0 0 0 0 38 39 1 0 0 0 0 38 79 1 0 0 0 0 38 80 1 0 0 0 0 39 40 1 0 0 0 0 39 81 1 0 0 0 0 39 82 1 0 0 0 0 40 41 1 0 0 0 0 40 83 1 0 0 0 0 40 84 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 44 85 1 0 0 0 0 44 86 1 0 0 0 0 44 87 1 0 0 0 0 45 46 1 0 0 0 0 45 88 1 0 0 0 0 45 89 1 0 0 0 0 46 47 1 0 0 0 0 46 90 1 0 0 0 0 46 91 1 0 0 0 0 47 48 2 0 0 0 0 47 49 2 0 0 0 0 47 93 1 0 0 0 0 50 92 1 0 0 0 0 M CHG 1 93 -1 M END