NIH-ZINC06499025 MOE2007 3D CORINA 3.40 0006 02.08.2006 69 71 0 0 1 0 0 0 0 0999 V2000 -0.8160 0.2290 -1.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6650 -0.2220 -0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 0.7510 2.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4860 1.5130 2.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 0.6690 0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3330 2.0140 0.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 1.8610 0.7270 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6600 1.9220 -0.4260 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4890 2.9020 -0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 1.8840 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8950 1.6330 1.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4280 1.6390 1.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9420 1.4680 3.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7470 1.4280 2.4740 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2050 2.0520 -0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4170 1.9880 0.1800 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2760 2.2750 -1.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9380 3.4700 -2.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9630 3.1510 -3.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3930 1.8460 -4.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5190 1.3650 -4.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6040 1.3020 -2.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0450 -0.1100 -2.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6000 3.9650 -5.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2370 5.1330 -5.0380 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7090 3.2180 -6.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3640 3.9160 -7.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5700 4.7930 -1.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3770 0.8010 -1.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5810 -0.5490 -1.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3110 -1.5500 -2.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8370 -1.2230 -3.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6280 0.1120 -3.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8890 1.1130 -2.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1740 0.5700 -4.8380 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0320 -0.3900 -5.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1470 0.3130 -2.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 -0.4950 -2.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3180 1.2010 -1.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6550 -0.3150 0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1460 -1.1830 -0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6210 1.2130 2.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2740 -0.3030 2.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3990 2.5590 2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3480 1.0760 1.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6970 1.5010 3.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 0.3060 -0.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9890 -0.1000 1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1030 2.6920 -0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9950 2.5030 1.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1150 2.1140 -0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4870 -0.7640 -3.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1100 -0.1990 -2.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8900 -0.4770 -1.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3180 4.2370 -7.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0290 4.7720 -7.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4890 3.2280 -8.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1660 5.5910 -2.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5110 5.0050 -2.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7480 4.8260 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9600 -0.8380 -0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4790 -2.5930 -1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6430 -2.0320 -3.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7280 2.1500 -2.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9840 -0.8900 -6.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2480 -1.1150 -5.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7270 0.1420 -6.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1230 0.8090 0.6810 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1690 1.7350 0.3420 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 40 1 0 0 0 0 2 41 1 0 0 0 0 2 68 1 0 0 0 0 3 4 1 0 0 0 0 3 42 1 0 0 0 0 3 43 1 0 0 0 0 3 68 1 0 0 0 0 4 44 1 0 0 0 0 4 45 1 0 0 0 0 4 46 1 0 0 0 0 5 6 1 0 0 0 0 5 47 1 0 0 0 0 5 48 1 0 0 0 0 5 68 1 0 0 0 0 6 7 1 0 0 0 0 6 49 1 0 0 0 0 6 50 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 51 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 28 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 30 61 1 0 0 0 0 31 32 1 0 0 0 0 31 62 1 0 0 0 0 32 33 2 0 0 0 0 32 63 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 34 64 1 0 0 0 0 35 36 1 0 0 0 0 36 65 1 0 0 0 0 36 66 1 0 0 0 0 36 67 1 0 0 0 0 68 69 1 0 0 0 0 M CHG 1 68 1 M END