NIH-ZINC04437010 MOE2007 3D CORINA 3.40 0006 02.08.2006 67 68 0 0 0 0 0 0 0 0999 V2000 1.2280 3.2570 3.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4470 2.2070 2.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6360 0.9410 3.2050 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8420 -0.1110 2.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8720 -0.0150 1.1340 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0010 -1.3270 3.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2000 -2.6430 2.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -3.4670 3.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1040 -2.6190 4.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9580 -1.3470 4.5030 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8300 -0.5160 5.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0780 -2.9020 6.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -4.9640 3.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7040 -5.4440 3.5540 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8730 -4.9700 4.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 -5.9130 5.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5550 -5.6290 6.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -4.7470 7.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9660 -4.4710 7.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1060 -5.0690 7.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9700 -5.9560 6.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6960 -6.2280 5.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1340 -6.5010 5.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0410 -7.3270 4.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3870 -4.8530 7.5410 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5670 -3.9110 8.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9400 -6.3890 2.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0790 -6.7700 2.2690 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7230 -6.9630 1.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0900 -8.0430 0.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8430 -8.6100 0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2580 -9.7480 -0.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7920 -9.3910 -1.8610 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3150 -3.1430 1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0860 3.3000 4.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0790 4.2440 3.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3530 3.0080 4.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 2.1590 1.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3380 2.4570 1.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9830 -3.4390 6.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0210 -1.9820 7.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2100 -3.5200 6.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2090 -5.3260 4.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5820 -5.3980 3.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7270 -4.9140 3.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7120 -3.9500 4.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4260 -5.8270 6.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1620 -6.9610 5.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8280 -4.2670 7.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0280 -3.7840 8.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5580 -6.9050 4.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0550 -7.6360 4.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4640 -8.2330 4.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6230 -6.7770 3.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6400 -3.8410 8.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2210 -2.9160 8.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0760 -4.2440 9.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0580 -7.3990 2.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1980 -6.1500 1.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7660 -7.6260 0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6450 -8.8480 1.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1360 -8.9810 0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3280 -7.8360 -0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2170 -3.7520 1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4440 -3.7560 1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3790 -2.3360 0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9990 -10.9090 -0.3450 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 38 1 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 49 1 0 0 0 0 19 20 1 0 0 0 0 19 50 1 0 0 0 0 20 21 2 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 30 31 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 31 32 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 32 33 2 0 0 0 0 32 67 1 0 0 0 0 34 64 1 0 0 0 0 34 65 1 0 0 0 0 34 66 1 0 0 0 0 M CHG 1 67 -1 M END