NIH-ZINC06530603 MOE2007 3D CORINA 3.40 0006 02.08.2006 74 78 0 0 1 0 0 0 0 0999 V2000 2.5240 -0.7850 2.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1580 -0.0630 1.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7680 -0.4380 1.1390 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7490 -1.5290 1.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5810 0.1420 -0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 1.4070 -0.5250 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2840 1.4800 -1.8920 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4820 0.2920 -2.4400 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6660 -0.5510 -1.4120 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9300 -1.9540 -1.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3170 -2.8200 -1.5120 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8790 -2.5480 -0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 -4.3080 -1.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3170 -4.8970 -1.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7560 -3.9020 -2.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 -2.6300 -2.6270 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6470 -0.8570 1.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5590 -2.3080 2.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4450 -4.5620 2.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6360 -5.4530 1.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8250 -5.0150 2.6310 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1230 -3.6640 2.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9670 -2.7240 2.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6140 1.4190 2.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 1.8330 3.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1520 2.0590 4.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5970 2.5070 5.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3070 2.7350 7.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1490 3.1680 8.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5190 3.3930 8.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4270 3.1670 7.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9620 2.7260 6.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8620 2.5060 5.1560 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4810 2.0760 3.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2970 1.8870 3.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 3.4510 9.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3980 -1.8670 2.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5720 -0.5910 3.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9190 -0.4430 3.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2530 1.0180 1.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9180 -0.3230 0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3480 -2.0340 -2.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7080 -2.2590 -0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7820 -4.5580 -2.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3030 -4.6590 -0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2320 -5.9160 -2.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0340 -4.9030 -1.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3550 -4.1630 -3.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8440 -3.8220 -3.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8470 -0.8060 0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4450 -0.3380 2.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 -2.7690 2.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4570 -2.2960 3.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2520 -4.6550 3.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5590 -4.9220 1.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8060 -5.4630 0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4410 -6.4830 2.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3430 -3.6200 1.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0290 -3.3670 2.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2390 -1.7120 2.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8490 -2.7190 3.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3420 1.7000 1.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3170 1.9410 2.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 1.9300 4.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3730 2.5810 6.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8860 3.7480 9.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4850 3.3440 7.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8510 2.6690 5.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1590 4.4920 9.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3670 3.2740 10.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6990 2.7950 9.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3470 -0.0880 2.1530 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0230 -0.3910 3.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 -3.1440 1.9940 N 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 40 1 0 0 0 0 2 41 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 72 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 15 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 17 18 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 17 72 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 18 74 1 0 0 0 0 19 20 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 19 74 1 0 0 0 0 20 21 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 23 74 1 0 0 0 0 24 25 1 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 24 72 1 0 0 0 0 25 26 2 0 0 0 0 25 34 1 0 0 0 0 26 27 1 0 0 0 0 26 64 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 65 1 0 0 0 0 29 30 1 0 0 0 0 29 36 1 0 0 0 0 30 31 2 0 0 0 0 30 66 1 0 0 0 0 31 32 1 0 0 0 0 31 67 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 68 1 0 0 0 0 34 35 2 0 0 0 0 36 69 1 0 0 0 0 36 70 1 0 0 0 0 36 71 1 0 0 0 0 72 73 1 0 0 0 0 M CHG 1 72 1 M END