NIH-ZINC04001690 MOE2007 3D CORINA 3.40 0006 02.08.2006 70 72 0 0 0 0 0 0 0 0999 V2000 -0.7840 0.7740 1.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 -0.6440 0.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 -1.8290 2.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5110 -2.2290 3.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 -2.9860 1.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 -2.9140 1.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9480 -4.2020 1.4310 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9410 -5.1450 2.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3930 -4.9740 3.5260 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6620 -6.4090 2.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5710 -7.0190 0.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2680 -8.2040 0.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0490 -8.8010 1.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0890 -8.2050 2.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4210 -6.9990 3.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9140 -8.8600 3.9230 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4930 -8.9730 5.5500 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2850 -10.0450 6.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5060 -7.6500 6.1400 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8120 -9.5380 5.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5460 -10.8460 5.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -11.2940 5.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1720 -10.4450 5.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4590 -9.1440 5.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7780 -8.6870 5.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2420 -10.9480 5.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7600 -9.9590 1.3800 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1510 -9.8600 0.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9910 -10.9820 1.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3310 -12.3450 1.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9210 -12.3380 1.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0640 -11.2390 1.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 0.9400 1.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 1.4880 0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7560 1.0070 1.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4960 -0.8400 -0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 -0.8180 0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7970 -2.5770 1.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8890 -0.8770 1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5690 -2.3230 3.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0310 -3.1880 3.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0680 -1.4730 4.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 -3.2630 0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6700 -3.7330 2.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7640 -2.2350 0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4970 -2.5380 2.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4490 -4.3930 0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9570 -6.6000 0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2110 -8.6690 -0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4930 -6.5040 4.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3500 -9.7090 3.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3510 -11.5210 4.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0210 -12.3150 4.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3440 -8.4790 6.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9790 -7.6730 6.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4810 -11.4030 6.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9470 -10.1310 5.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3890 -11.6920 4.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1850 -9.9190 -0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5920 -8.8950 1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9870 -10.9850 1.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1360 -10.7970 2.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2900 -12.5970 0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9320 -13.1180 1.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4450 -13.3120 1.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9850 -12.1840 3.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1060 -11.1920 1.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8400 -11.4840 0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9070 -1.6430 1.6430 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.4430 -1.2580 2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 2 69 1 0 0 0 0 3 4 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 3 69 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 5 69 1 0 0 0 0 6 7 1 0 0 0 0 6 45 1 0 0 0 0 6 46 1 0 0 0 0 7 8 1 0 0 0 0 7 47 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 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 48 1 0 0 0 0 12 13 1 0 0 0 0 12 49 1 0 0 0 0 13 14 2 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 50 1 0 0 0 0 16 17 1 0 0 0 0 16 51 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 54 1 0 0 0 0 25 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 27 28 1 0 0 0 0 27 32 1 0 0 0 0 28 29 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 61 1 0 0 0 0 29 62 1 0 0 0 0 30 31 1 0 0 0 0 30 63 1 0 0 0 0 30 64 1 0 0 0 0 31 32 1 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 32 67 1 0 0 0 0 32 68 1 0 0 0 0 69 70 1 0 0 0 0 M CHG 1 69 1 M END