NIH-ZINC06577245 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 56 0 0 1 0 0 0 0 0999 V2000 0.0070 1.4900 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -0.0170 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -0.6560 1.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1520 -2.1560 1.2890 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5420 -2.4730 2.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2390 -2.7540 0.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3410 -2.0540 -1.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7010 -2.8780 -2.0870 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8450 -4.1120 -1.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5710 -4.0750 -0.2850 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2480 -5.3210 -2.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3630 -6.5490 -1.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7380 -7.6720 -2.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 -7.5830 -3.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8880 -6.3640 -4.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 -5.2300 -3.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1460 -6.2800 -5.7350 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5280 -7.4870 -6.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0910 -0.6900 -1.1980 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5460 -2.6030 1.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8780 -3.2810 2.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2240 -3.5840 2.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9850 -3.1520 1.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9840 -2.3180 0.6730 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 0.1160 2.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 0.1420 3.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3260 0.8240 2.6120 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4630 1.4900 3.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7810 1.0400 4.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9490 1.7320 6.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7790 2.8370 6.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4100 3.2370 5.0910 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2840 2.6040 3.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0320 1.8590 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5080 1.8440 -0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 1.8560 0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1580 -6.6220 -0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8260 -8.6230 -1.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2930 -8.4640 -4.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4350 -4.2800 -4.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7310 -8.2240 -6.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4410 -7.8760 -5.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7040 -7.2810 -7.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -0.2310 -2.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 -3.5720 3.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6280 -4.1280 3.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0530 -3.2950 1.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0350 0.8720 1.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 0.1740 4.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4360 1.4130 7.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9130 3.3810 7.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8210 2.9590 3.0750 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 19 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 20 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 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 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 18 41 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 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 29 49 1 0 0 0 0 30 31 1 0 0 0 0 30 50 1 0 0 0 0 31 32 2 0 0 0 0 31 51 1 0 0 0 0 32 33 1 0 0 0 0 33 52 1 0 0 0 0 M END