NIH-ZINC04144661 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 60 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -0.5110 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1100 -0.6540 -1.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7730 -2.0030 -1.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0920 -0.9230 1.4460 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1200 -1.8510 1.1270 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0390 -1.2110 2.3560 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8980 0.5200 2.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2120 0.7780 1.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8510 1.9080 2.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1820 2.7860 3.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8570 2.5320 3.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2190 1.3870 2.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1340 3.4680 4.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9800 3.2440 4.5640 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7540 4.5710 4.7200 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0380 5.4990 5.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9480 6.6400 5.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0800 6.6740 5.5510 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5020 7.6180 6.7780 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4340 8.6850 7.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7620 9.6840 8.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6110 9.5140 8.3460 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4400 10.7670 8.4330 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7860 11.7380 9.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7540 12.8450 9.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5730 12.7380 10.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4600 13.7540 11.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5270 14.8760 10.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7080 14.9840 9.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8180 13.9700 8.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1800 -0.6040 -1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8280 0.1500 -1.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3220 -2.1100 -2.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7020 -2.0540 -2.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0540 -2.8070 -1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7400 0.0940 1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8770 2.1040 1.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6830 3.6690 3.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1950 1.1820 3.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6750 4.7500 4.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7210 4.9750 6.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1620 5.8890 5.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7470 9.1810 6.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3060 8.2670 7.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3600 10.9030 8.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4730 11.2420 10.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9140 12.1560 8.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5200 11.8610 11.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1000 13.6700 11.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2210 15.6700 10.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7610 15.8610 8.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1740 14.0550 7.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 6 7 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 44 1 0 0 0 0 12 13 2 0 0 0 0 12 45 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 46 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 47 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 20 2 0 0 0 0 19 21 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 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 26 54 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 55 1 0 0 0 0 29 30 1 0 0 0 0 29 56 1 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 59 1 0 0 0 0 M END