NIH-ZINC06499025 MOE2007 3D CORINA 3.40 0006 02.08.2006 69 71 0 0 1 0 0 0 0 0999 V2000 -0.2380 -0.7200 0.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7370 -1.2320 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 -0.3470 -1.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3150 0.3610 -1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2730 -0.2880 -2.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 1.0740 -2.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5390 1.0120 -3.8930 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9100 1.4820 -3.7100 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8500 2.5110 -3.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5690 1.4520 -5.1080 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5660 0.6940 -5.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3060 0.5050 -5.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2970 -0.0180 -5.5830 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7120 0.2940 -7.0680 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7330 2.8450 -5.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8140 3.6590 -5.5870 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9600 3.1610 -6.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0530 3.7950 -7.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4020 3.8890 -8.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1020 3.3470 -6.9590 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.1120 3.2850 -6.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2550 2.9190 -5.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7990 2.3470 -4.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0310 4.4340 -9.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4650 4.9680 -10.1390 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3850 4.2670 -9.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1220 4.7720 -10.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9140 4.2500 -8.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6410 0.6270 -2.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9720 -0.7140 -2.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6210 -1.4750 -1.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9450 -0.9140 -0.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6220 0.4150 -0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9710 1.1750 -1.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8720 1.0850 0.7060 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6360 0.3980 1.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 0.2360 1.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2450 -0.5820 0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3100 -1.4360 1.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7180 -1.3780 0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4110 -2.1780 -0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1440 0.1180 -2.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4390 -1.4150 -2.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0760 1.4210 -0.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4570 -0.0830 -0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2960 -1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1650 -0.5940 -1.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 -1.0770 -2.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8100 1.8260 -2.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4010 1.4250 -3.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5130 0.9030 -5.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1390 2.5650 -3.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7820 2.7680 -4.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9050 1.2610 -4.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9720 5.8510 -10.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8310 4.2510 -11.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1840 4.5850 -10.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0590 3.9440 -9.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8290 5.3410 -8.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9630 3.8210 -8.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7300 -1.1890 -3.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8770 -2.5120 -2.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4470 -1.5420 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7240 2.2100 -1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6210 0.1150 1.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0940 -0.4740 2.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7940 1.0830 2.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8890 -0.2140 -1.1950 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8650 0.7180 -0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 40 1 0 0 0 0 2 41 1 0 0 0 0 2 68 1 0 0 0 0 3 4 1 0 0 0 0 3 42 1 0 0 0 0 3 43 1 0 0 0 0 3 68 1 0 0 0 0 4 44 1 0 0 0 0 4 45 1 0 0 0 0 4 46 1 0 0 0 0 5 6 1 0 0 0 0 5 47 1 0 0 0 0 5 48 1 0 0 0 0 5 68 1 0 0 0 0 6 7 1 0 0 0 0 6 49 1 0 0 0 0 6 50 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 51 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 28 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 30 61 1 0 0 0 0 31 32 1 0 0 0 0 31 62 1 0 0 0 0 32 33 2 0 0 0 0 32 63 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 34 64 1 0 0 0 0 35 36 1 0 0 0 0 36 65 1 0 0 0 0 36 66 1 0 0 0 0 36 67 1 0 0 0 0 68 69 1 0 0 0 0 M CHG 1 68 1 M END