NIH-ZINC04035090 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 62 0 0 0 0 0 0 0 0999 V2000 -0.0990 1.6120 0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 0.1620 0.1230 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -0.6500 1.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -0.0860 2.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 -0.8950 3.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 -2.2780 3.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 -2.8520 2.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -2.0510 1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -2.6570 -0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1040 -1.8630 -1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1350 -0.3940 -1.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 0.2510 -2.1940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -4.0350 -0.1950 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -4.6900 -1.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 -6.2040 -1.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2040 -6.7190 -0.1660 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 -6.9710 -2.4480 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 -8.4300 -2.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 -9.0020 -3.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 -6.9970 -4.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -6.4540 -3.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2440 -9.1290 -5.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9840 -8.9300 -6.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8550 -8.1340 -7.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6110 -7.9200 -9.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4930 -8.5060 -9.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6430 -9.2830 -8.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8630 -9.5240 -7.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 -9.7590 -9.6580 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 -9.1930 -10.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 -8.4000 -10.9760 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8210 1.9520 0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1600 2.1010 -0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 1.9150 0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 0.9880 2.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 -0.4430 4.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2210 -2.9100 4.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1260 -3.9370 2.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 -2.2330 -2.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9370 -4.4730 -1.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8690 -4.3640 -2.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 -8.7510 -1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7960 -8.8240 -2.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2870 -8.6660 -2.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 -10.0960 -3.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9910 -6.7070 -5.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1240 -6.6400 -4.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 -6.7740 -4.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -5.3630 -3.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2680 -10.2050 -5.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2050 -8.7010 -5.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7330 -7.6710 -7.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2770 -7.3140 -9.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -10.1580 -7.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 -10.0090 -11.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 -8.5600 -11.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 -8.5200 -4.6270 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2740 -8.8610 -4.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 11 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 7 2 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 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 21 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 19 57 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 20 57 1 0 0 0 0 21 48 1 0 0 0 0 21 49 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 22 57 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 31 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 57 1 M END