NIH-ZINC04039079 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 63 0 0 1 0 0 0 0 0999 V2000 -1.9580 0.7200 0.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0790 -0.4700 0.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -0.8660 1.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3650 -2.0780 0.9110 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3200 -2.9630 1.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6170 -4.0830 0.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9340 -4.3490 -0.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -3.5030 -1.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3160 -2.3150 -0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1830 -1.3630 -0.5460 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3910 -0.3160 2.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4620 0.4870 2.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 0.9820 1.5560 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9050 0.1250 1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4260 1.7120 2.3060 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 1.8070 3.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8130 2.3990 4.5120 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9320 1.0300 3.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3920 0.8570 4.9970 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6170 2.2850 1.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5060 3.8040 1.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7560 5.9810 1.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1530 6.5980 1.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8440 6.2000 0.2430 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0190 4.7820 0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6710 4.0630 0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7400 1.8540 0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7930 1.4800 -0.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1830 2.2940 -1.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5410 3.4410 -1.4790 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4890 3.7820 -0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0630 3.0350 0.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3430 -0.6680 3.7080 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8560 1.2930 -0.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0040 0.4120 0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7180 1.3810 1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7870 -2.7190 2.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -4.8010 1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1870 -5.2600 -1.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 -3.7060 -1.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4530 2.0690 2.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8130 1.7690 0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9630 4.0520 0.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9930 4.2690 2.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2460 6.2310 2.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1520 6.2900 0.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0740 7.6890 1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7450 6.3160 2.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5710 4.5500 -0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6340 4.4580 1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0720 4.3550 -0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8080 2.9790 0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2840 0.5660 -1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1930 2.0340 -2.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 4.7000 0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9720 3.3760 1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -0.2290 4.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8730 4.4600 1.4080 N 0 3 0 0 0 0 0 0 0 0 0 0 6.4040 4.1680 2.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 8 2 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 9 10 2 0 0 0 0 11 12 2 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 27 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 58 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 58 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 58 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 31 55 1 0 0 0 0 32 56 1 0 0 0 0 33 57 1 0 0 0 0 58 59 1 0 0 0 0 M CHG 1 58 1 M END