NIH-ZINC04039246 MOE2007 3D CORINA 3.40 0006 02.08.2006 64 66 0 0 1 0 0 0 0 0999 V2000 0.2170 1.9110 0.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 0.4370 0.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7160 -0.3100 1.3510 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 -1.6690 1.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1510 -2.2340 0.4520 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3860 -2.3030 2.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5570 -3.6550 2.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4410 -3.7390 3.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7790 -2.4520 4.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1550 -1.6050 3.1840 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 -0.5960 3.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6290 -1.9220 5.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -4.9310 4.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0930 -5.4410 4.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5800 -6.6870 5.1260 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3840 -6.5670 6.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0300 -6.6630 4.9650 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4800 -5.6330 4.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6250 -5.3620 3.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2740 -4.8620 3.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3330 -3.9580 2.9130 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9290 -7.6200 5.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4730 -8.6440 4.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5580 -9.5040 5.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9550 -9.9630 3.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7710 -11.6710 4.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9680 -7.9680 4.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 -8.8980 5.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8380 -10.0690 5.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8590 -10.2820 3.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 -9.4210 2.7510 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9410 -8.2890 3.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7720 -5.5180 5.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9200 -4.7910 1.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2830 2.1300 0.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 2.5250 -0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 2.2010 1.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1200 0.2290 0.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2450 0.1570 -0.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6610 -1.8020 4.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2670 -0.9470 5.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6280 -2.5960 6.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7650 -7.0470 6.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4100 -8.1100 6.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6570 -9.2790 4.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8710 -8.1190 3.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4160 -8.9130 5.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1410 -10.0490 6.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8120 -9.4770 3.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3710 -9.2510 2.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2810 -10.7820 2.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0630 -12.1210 5.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6410 -11.2660 5.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0710 -12.4110 4.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -8.7240 6.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3880 -10.7960 5.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4230 -11.1760 3.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3640 -7.6290 2.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0020 -6.3820 5.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0850 -4.6990 0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3300 -5.7570 2.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 -4.8040 2.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0720 -10.5410 4.2520 N 0 3 0 0 0 0 0 0 0 0 0 0 8.2550 -10.9550 3.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 38 1 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 27 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 63 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 25 63 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 26 63 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 32 58 1 0 0 0 0 33 59 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 63 64 1 0 0 0 0 M CHG 1 63 1 M END