NIH-ZINC04040062 MOE2007 3D CORINA 3.40 0006 02.08.2006 67 69 0 0 1 0 0 0 0 0999 V2000 -1.2270 1.2120 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9820 0.8250 1.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3910 0.4490 2.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4520 0.1360 3.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6130 0.3380 2.5350 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5480 0.1950 2.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3620 0.7800 1.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4080 1.1260 0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2520 1.5620 -0.8070 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6250 0.9070 0.9110 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7430 1.2400 0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5470 -0.2810 4.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 0.4580 2.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5460 -0.4500 3.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 -1.7550 3.3280 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0260 -1.6010 2.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -2.1220 4.6170 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4800 -1.1940 5.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8090 -1.1900 6.7680 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7210 -0.1020 4.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3730 1.0550 5.5790 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6010 -3.2990 4.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0690 -3.0170 4.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2480 -4.0340 3.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0300 -4.9690 5.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1990 -2.7720 2.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6480 -3.5070 3.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5770 -4.4020 3.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6920 -4.5640 1.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8740 -3.8370 0.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -2.9580 1.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9110 -2.1680 0.6140 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5940 -2.8500 -0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 -3.9050 -0.5180 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9970 -4.6970 -1.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 1.1260 2.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3210 0.6080 -0.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8160 1.0540 -1.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9420 2.2680 -0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6550 1.0280 0.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7300 2.3060 -0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7460 0.6280 -0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2100 0.5240 5.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5810 -0.5140 4.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9580 -1.1790 4.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5190 -3.5900 5.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2080 -4.1200 4.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1410 -2.5600 3.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5340 -2.3430 5.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7910 -3.3310 4.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0940 -3.6220 2.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7750 -4.9890 3.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0380 -5.2800 6.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4830 -4.2660 6.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6600 -5.8530 5.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 -3.3850 4.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2270 -4.9630 3.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4430 -5.2590 1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0450 -2.7440 -1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5660 -2.3630 -0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7810 -3.9050 -0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9410 -4.5960 -2.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8590 -5.7560 -0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9830 -4.3410 -0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6870 0.9720 6.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8940 -4.2910 4.4210 N 0 3 0 0 0 0 0 0 0 0 0 0 4.4150 -4.9510 3.7920 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 58 1 0 0 0 0 30 31 1 0 0 0 0 30 34 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 34 35 1 0 0 0 0 35 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