NIH-ZINC02972563 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 59 0 0 1 0 0 0 0 0999 V2000 5.9070 -4.8380 4.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8390 -3.9410 4.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7230 -2.9880 3.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6730 -2.9400 2.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7550 -3.8270 2.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8660 -4.7790 3.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5250 -1.9060 1.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0220 -0.8190 1.7770 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9830 -2.2270 0.2430 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9660 -1.2400 -0.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8840 -0.0080 -0.5540 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4740 0.5720 0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2860 -0.4680 -0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8330 -0.1750 1.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1110 -0.6230 1.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8060 -1.3550 0.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3150 -1.6620 -0.7800 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0730 -1.2170 -1.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7930 2.1780 -1.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8230 3.1090 -2.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4690 3.5030 -3.1330 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4870 2.4300 -3.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4570 1.5090 -2.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1610 4.8230 -3.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9010 5.3750 -3.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5900 6.7060 -3.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5410 7.5100 -4.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7950 7.0070 -4.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0970 5.6760 -4.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2460 8.7840 -4.3270 F 0 0 0 0 0 0 0 0 0 0 0 0 5.9980 -5.5790 5.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0990 -3.9830 5.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8890 -2.2900 3.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5340 -3.7770 1.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7050 -5.4710 3.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3220 -3.1620 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2610 -1.7570 -1.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 -0.9300 -0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2690 0.3910 1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5500 -0.4090 2.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8070 -1.7260 0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7280 -1.4980 -2.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8010 1.7970 -1.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 2.6990 -0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4430 3.9730 -2.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3090 2.6040 -3.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4730 2.7960 -3.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7660 1.8430 -4.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0980 2.0310 -1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8160 0.6530 -2.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1440 4.7820 -2.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 7.1150 -3.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5280 7.6450 -4.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0780 5.3000 -4.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8610 0.9790 -1.7490 N 0 3 0 0 0 0 0 0 0 0 0 0 7.2040 0.4860 -2.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 55 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 55 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 23 55 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 27 28 2 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 55 56 1 0 0 0 0 M CHG 1 55 1 M END