NIH-ZINC04040405 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 71 0 0 1 0 0 0 0 0999 V2000 -0.3730 1.2690 -0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 -0.1850 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -0.8660 1.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3330 -2.1930 1.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2960 -2.3410 -0.3310 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4770 -3.1990 -0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 -1.1530 -0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2530 -1.0130 -2.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5580 0.0180 -2.9470 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0790 -2.2260 -2.9660 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 -2.2130 -4.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6210 -3.3370 1.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1260 -0.3320 2.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 -0.2890 3.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6670 -0.7550 2.7060 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5660 -1.7890 2.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4690 -0.8240 3.9260 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8410 -0.2870 5.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2470 -0.2010 6.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4700 0.1100 4.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5980 0.6020 5.3020 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7880 -1.4350 3.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6940 -2.9630 3.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7110 -5.1360 4.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9650 -5.7670 5.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1040 -5.5190 4.3950 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3690 -4.1190 4.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1890 -3.3890 3.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3170 0.1050 1.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7440 -0.5240 0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3540 0.2040 -0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5540 1.5710 -0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1420 2.2150 0.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5180 1.4950 1.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0850 2.0610 2.9450 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9780 3.4800 2.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0410 0.0750 3.2160 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4430 1.7150 -0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 1.4280 -0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4390 1.8120 0.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1070 -3.2260 -4.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3010 -1.9180 -4.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 -1.5420 -4.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2770 -3.6100 2.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9510 -4.2190 1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 -3.0760 2.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2680 -1.1340 4.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3940 -1.0390 3.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5440 -3.3150 2.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8560 -3.3140 4.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8480 -5.2720 5.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4980 -5.5370 3.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8350 -6.8520 5.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1590 -5.3890 6.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2600 -4.0020 3.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6000 -3.7060 5.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9840 -3.7710 2.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3680 -2.3120 3.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5890 -1.5910 0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6670 -0.2940 -1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0270 2.1420 -1.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3230 3.2830 0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9690 3.9450 2.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4800 3.7480 3.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3650 3.8590 2.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8200 0.4400 4.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9320 -3.6340 4.4550 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.0960 -3.2530 5.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 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 41 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 14 2 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 29 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 2 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 23 67 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 67 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 28 67 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 59 1 0 0 0 0 31 32 1 0 0 0 0 31 60 1 0 0 0 0 32 33 2 0 0 0 0 32 61 1 0 0 0 0 33 34 1 0 0 0 0 33 62 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 63 1 0 0 0 0 36 64 1 0 0 0 0 36 65 1 0 0 0 0 37 66 1 0 0 0 0 67 68 1 0 0 0 0 M CHG 1 67 1 M END