NIH-ZINC04014601 MOE2007 3D CORINA 3.40 0006 02.08.2006 66 69 0 0 1 0 0 0 0 0999 V2000 -0.5720 1.7260 0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3470 0.4630 0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1040 -0.5690 1.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0370 -1.5710 1.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8540 -1.1460 0.3600 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6340 -1.6640 -0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4800 0.0980 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1900 0.8270 -1.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8960 1.9340 -1.5430 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2680 0.0920 -1.5160 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0630 0.7220 -2.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2430 -2.9100 1.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 -0.5530 2.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4940 -0.9420 4.0500 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7000 -0.1590 4.6280 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6270 -0.7080 4.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4820 -0.1480 6.0720 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1670 -0.3780 6.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3670 -0.3450 7.4980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5270 -0.7750 5.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7150 -1.0490 5.1210 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5130 0.1860 7.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7970 -0.9730 7.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7030 -0.5180 9.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1460 -1.4290 10.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3010 -2.5860 11.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1470 -2.7020 12.7890 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9670 -2.9630 12.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6870 -1.8190 11.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8140 1.2770 4.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0080 1.7530 3.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0780 3.0880 3.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9690 3.9090 3.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8260 3.3560 3.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 2.0650 4.3160 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 -0.2300 2.3800 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 1.7140 -0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2370 2.5950 0.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1760 1.8690 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8900 0.0500 -2.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4800 1.6620 -2.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4710 0.8930 -3.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7940 -2.8190 2.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8150 -3.5690 1.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2840 -3.3970 2.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1520 1.0520 7.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4270 0.4790 6.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2610 -1.8000 7.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8560 -1.3620 8.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3040 0.3470 9.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6930 -0.2660 8.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9970 -1.3820 10.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0230 -0.4740 11.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1650 -2.4060 12.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4680 -3.5360 11.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1330 -3.0640 12.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0760 -3.9180 11.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 -0.8700 11.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8120 -2.0410 10.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8700 1.1080 3.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9940 3.4860 2.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9970 4.9520 3.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 3.9540 4.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7210 -2.0150 4.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8900 -1.6370 10.1280 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.0150 -2.5110 9.5990 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 1 0 0 0 0 14 64 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 30 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 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 65 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 25 65 1 0 0 0 0 26 27 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 29 65 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 31 60 1 0 0 0 0 32 33 1 0 0 0 0 32 61 1 0 0 0 0 33 34 2 0 0 0 0 33 62 1 0 0 0 0 34 35 1 0 0 0 0 34 63 1 0 0 0 0 65 66 1 0 0 0 0 M CHG 1 65 1 M END