NIH-ZINC04039421 MOE2007 3D CORINA 3.40 0006 02.08.2006 67 69 0 0 1 0 0 0 0 0999 V2000 -0.2100 1.9220 1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 1.2310 1.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5130 -0.1040 2.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8490 -0.3530 2.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5520 0.7850 2.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5490 0.9100 2.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7270 1.7580 1.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1950 3.0540 1.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5070 3.9470 0.6070 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5490 3.1340 1.2660 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1270 4.3710 0.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5480 -1.5640 2.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4130 -1.0540 2.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 -1.6610 3.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7600 -2.8760 3.5270 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3040 -3.6940 2.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6870 -3.2260 4.9380 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -2.2890 5.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1860 -2.2410 6.8690 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 -1.2930 4.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2760 -0.2230 5.0960 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 -4.4270 5.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5830 -4.1370 6.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6910 -5.1430 7.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5150 -6.1350 7.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1980 -2.6360 3.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8320 -3.5480 2.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1530 -3.3420 1.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8550 -2.2170 2.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2510 -1.3210 3.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9320 -1.5280 3.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1320 -2.0970 1.8010 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5920 -0.7530 1.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7560 -0.7870 0.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8030 -0.1230 -0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2650 -1.3580 1.1950 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2410 2.0340 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 2.9150 1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6970 1.3670 1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7090 5.2040 1.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9710 4.5200 -0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2030 4.3240 1.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6730 -1.5070 3.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5400 -1.6620 2.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9870 -2.4730 2.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 -4.8460 6.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4410 -5.1560 4.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2950 -3.6250 5.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4130 -3.5120 7.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6810 -4.4570 7.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2140 -4.7050 6.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1550 -6.0960 7.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5460 -6.4460 7.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -5.4580 8.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0920 -7.0200 8.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3020 -4.4200 1.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6280 -4.0450 1.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7840 -0.4570 3.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4830 -0.8050 4.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8000 -0.1040 1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9330 -0.3680 2.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6040 -1.4000 0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9780 0.4960 -0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6750 -0.1920 -1.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 -0.2960 6.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2660 -5.4150 6.7300 N 0 3 0 0 0 0 0 0 0 0 0 0 3.3230 -6.0490 5.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 14 1 0 0 0 0 13 36 2 0 0 0 0 14 15 1 0 0 0 0 14 20 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 26 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 1 0 0 0 0 21 65 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 66 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 66 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 25 66 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 29 30 2 0 0 0 0 29 32 1 0 0 0 0 30 31 1 0 0 0 0 30 58 1 0 0 0 0 31 59 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 34 35 2 0 0 0 0 34 62 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 66 67 1 0 0 0 0 M CHG 1 66 1 M END