NIH-ZINC04057301 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 71 0 0 0 0 0 0 0 0999 V2000 -2.0230 2.2020 -0.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5050 2.0850 1.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0330 2.2190 3.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7340 3.8380 2.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1620 3.6650 0.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1010 3.8080 4.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1930 5.2950 4.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4950 5.5150 6.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3330 6.9040 6.8440 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0780 7.4430 7.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0240 6.8440 6.8700 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0510 8.8620 7.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2750 9.7060 6.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2280 11.0600 6.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9390 11.5580 7.9890 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6630 10.7450 8.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7500 9.3570 8.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4950 8.5720 9.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1660 9.1600 10.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0970 10.5330 10.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3460 11.3060 9.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4430 11.8950 6.1330 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 13.2890 5.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4420 14.1330 6.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3980 15.5170 6.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3510 16.0900 5.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 15.2600 4.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 13.8760 5.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6580 15.8940 4.2920 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6960 15.0940 3.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 17.4330 5.2550 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2220 18.2990 5.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6190 1.1950 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2280 2.9280 -0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8180 2.3390 -1.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6630 2.7750 1.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1160 1.0670 1.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8120 1.4810 3.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2120 2.1170 3.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1010 4.8590 2.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5410 3.1250 2.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9810 3.8010 0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4260 4.4580 0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3520 3.3380 5.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0580 3.2910 4.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2480 5.7820 4.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9730 5.7770 4.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5250 5.2270 6.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8240 4.9170 7.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1590 7.4840 6.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7270 9.3030 5.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5450 7.4900 9.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7330 8.5460 11.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6140 11.0050 11.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2840 12.3810 10.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 11.4000 5.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2810 13.7300 7.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2020 16.1140 6.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3810 13.2270 4.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2590 14.5820 4.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3010 14.3840 3.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3890 15.7610 3.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2440 18.2590 6.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 19.3220 5.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2050 18.0740 5.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5550 2.3390 0.6260 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6410 3.6000 3.2620 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8890 4.2800 3.0800 H 0 0 0 0 0 0 0 0 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 1 66 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 2 66 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 3 67 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 4 67 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 5 66 1 0 0 0 0 6 7 1 0 0 0 0 6 44 1 0 0 0 0 6 45 1 0 0 0 0 6 67 1 0 0 0 0 7 8 1 0 0 0 0 7 46 1 0 0 0 0 7 47 1 0 0 0 0 8 9 1 0 0 0 0 8 48 1 0 0 0 0 8 49 1 0 0 0 0 9 10 1 0 0 0 0 9 50 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 51 1 0 0 0 0 14 15 2 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 52 1 0 0 0 0 19 20 2 0 0 0 0 19 53 1 0 0 0 0 20 21 1 0 0 0 0 20 54 1 0 0 0 0 21 55 1 0 0 0 0 22 23 1 0 0 0 0 22 56 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 57 1 0 0 0 0 25 26 1 0 0 0 0 25 58 1 0 0 0 0 26 27 2 0 0 0 0 26 31 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 59 1 0 0 0 0 29 30 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 31 32 1 0 0 0 0 32 63 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 67 68 1 0 0 0 0 M CHG 1 67 1 M END