NIH-ZINC04079372 MOE2007 3D CORINA 3.40 0006 02.08.2006 72 75 0 0 0 0 0 0 0 0999 V2000 -0.0130 1.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 1.0910 2.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 1.7410 2.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0780 1.2530 3.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4020 1.8760 3.8670 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2140 1.5920 4.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 0.8210 5.7670 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5760 2.2320 4.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2880 1.7440 6.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6850 2.3700 6.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5540 3.8300 6.2310 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8080 4.4020 5.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4210 3.7530 5.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2330 4.8120 7.3780 S 0 0 0 0 0 0 0 0 0 0 0 0 7.5050 6.0320 7.3430 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3720 4.0230 8.5510 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7680 5.1700 6.8700 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0240 6.3470 6.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1100 7.2000 6.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3420 6.3340 6.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9780 5.1870 7.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9020 4.3180 7.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8340 5.8020 5.7240 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1890 6.2700 5.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6090 6.6260 7.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3700 7.1390 7.5610 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1100 1.1480 1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8360 1.8450 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9040 1.2580 -1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5700 1.8970 -2.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1680 3.1240 -1.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1010 3.7110 -0.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4390 3.0690 0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 1.4470 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 0.0070 2.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6030 1.3640 3.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 1.4680 1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2560 2.8250 2.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4910 1.5260 4.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1880 0.1700 3.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6940 2.4920 3.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1630 1.9580 4.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7140 2.0390 7.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3770 0.6580 6.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1580 2.1040 7.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2900 2.0040 5.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7030 5.4780 5.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3420 4.2020 4.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8930 4.0980 4.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8550 4.0290 5.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3630 6.0260 5.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1100 6.9320 5.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3800 8.0240 6.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7340 7.5980 7.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8640 4.5830 8.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5980 5.5940 8.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5660 3.5640 7.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3120 3.8320 6.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8250 5.4810 5.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2190 7.1530 4.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9360 5.7380 7.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3840 7.3920 7.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5680 1.4180 2.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1740 0.0690 1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4360 0.3000 -1.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6220 1.4390 -3.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6870 3.6240 -2.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5680 4.6690 -0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3900 3.5260 1.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 1.5600 1.2170 N 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 72 1 0 0 0 0 2 3 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 2 72 1 0 0 0 0 3 4 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 4 5 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 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 44 1 0 0 0 0 9 10 1 0 0 0 0 9 45 1 0 0 0 0 9 46 1 0 0 0 0 10 11 1 0 0 0 0 10 47 1 0 0 0 0 10 48 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 13 51 1 0 0 0 0 13 52 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 20 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 20 26 1 0 0 0 0 21 22 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 25 26 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 27 28 1 0 0 0 0 27 65 1 0 0 0 0 27 66 1 0 0 0 0 27 72 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 29 67 1 0 0 0 0 30 31 1 0 0 0 0 30 68 1 0 0 0 0 31 32 2 0 0 0 0 31 69 1 0 0 0 0 32 33 1 0 0 0 0 32 70 1 0 0 0 0 33 71 1 0 0 0 0 M END