NIH-ZINC04039079 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 63 0 0 1 0 0 0 0 0999 V2000 0.0800 1.5770 -0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 0.0980 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -0.7470 0.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 -2.0270 0.4600 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -3.2770 1.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1280 -4.3940 0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2290 -4.2730 -1.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -3.0700 -1.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -1.8820 -0.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 -0.6170 -1.2860 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.5230 2.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0490 -0.0760 3.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0850 0.3350 4.5390 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3460 1.1300 4.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3980 0.9450 4.7030 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2040 0.8500 3.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3560 1.2240 3.4600 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4080 0.1540 2.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8810 -0.1880 1.4720 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8400 1.5950 5.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7560 0.6840 6.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7250 0.5920 8.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6260 1.4370 9.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8620 2.0870 10.2180 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8900 2.9740 9.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8940 2.2150 8.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8700 -0.7990 5.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 -0.6370 6.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 -1.6660 7.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5090 -2.8270 7.4410 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3640 -2.9730 6.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5810 -2.0040 5.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -0.7560 2.8950 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0490 1.9760 0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 1.9440 -1.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6920 1.9730 0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -3.3020 2.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 -5.3840 0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 -5.1880 -1.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3290 -2.9770 -2.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3920 2.4950 5.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9650 1.9160 6.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1820 -0.0190 7.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4240 0.1120 6.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2940 0.1430 7.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2020 -0.1820 8.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3610 0.7940 9.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1760 2.1890 8.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3600 3.4510 10.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4000 3.7630 9.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3540 1.4540 9.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1920 2.9050 8.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6100 0.2740 6.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8630 -1.5800 8.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8930 -3.9220 6.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2980 -2.1980 4.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2480 -0.7030 3.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6490 1.4830 7.6800 N 0 3 0 0 0 0 0 0 0 0 0 0 5.1440 2.1840 7.1080 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