NIH-ZINC06498871 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 65 0 0 1 0 0 0 0 0999 V2000 0.5500 1.0620 0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1690 0.6750 2.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4510 2.9490 1.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6770 3.4070 2.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7260 4.8550 2.4490 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6150 5.7240 1.6870 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6430 5.4650 1.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 7.0520 2.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 6.9820 3.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 5.5560 3.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0740 5.1350 4.0870 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7230 7.9820 3.9220 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8100 8.3110 1.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1240 9.0760 1.1220 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2360 8.5970 2.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8960 9.4910 1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2430 9.7890 1.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9430 9.2110 2.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2810 8.3260 3.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9290 8.0210 3.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2510 9.5940 2.5700 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0150 9.0710 3.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4010 9.6560 3.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4300 8.9610 2.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7060 9.5180 2.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9630 10.7760 3.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9430 11.4810 4.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6670 10.9260 4.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4170 5.5870 0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3760 4.9190 -0.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1480 4.7550 -1.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0440 5.1990 -2.5730 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1400 5.8600 -1.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2740 6.0710 -0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4870 -0.0190 0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5520 1.3580 0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 1.5780 -0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 1.0010 2.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 -0.3900 2.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9880 0.8610 3.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4660 3.4010 0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4890 3.2270 1.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6090 3.0620 1.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6290 2.9920 3.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 7.5620 4.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3710 9.9580 0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7510 10.4840 0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7810 7.8600 4.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4410 7.3510 3.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0720 7.9770 3.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5670 9.3480 4.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2440 7.9840 2.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5000 8.9730 2.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9560 11.2090 3.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1410 12.4650 4.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8750 11.4920 4.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2890 4.5280 -0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8700 4.2450 -2.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2710 6.2270 -2.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4960 6.6090 0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 1.4450 1.2950 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.3600 1.1600 0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 61 1 0 0 0 0 2 38 1 0 0 0 0 2 39 1 0 0 0 0 2 40 1 0 0 0 0 2 61 1 0 0 0 0 3 4 1 0 0 0 0 3 41 1 0 0 0 0 3 42 1 0 0 0 0 3 61 1 0 0 0 0 4 5 1 0 0 0 0 4 43 1 0 0 0 0 4 44 1 0 0 0 0 5 6 1 0 0 0 0 5 10 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 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 2 0 0 0 0 12 45 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 26 27 2 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 27 55 1 0 0 0 0 28 56 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 57 1 0 0 0 0 31 32 1 0 0 0 0 31 58 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 33 59 1 0 0 0 0 34 60 1 0 0 0 0 61 62 1 0 0 0 0 M CHG 1 61 1 M END