PUBCHEM-ZINC03872464 MOE2007 3D CORINA 3.40 0006 02.08.2006 69 68 0 0 1 0 0 0 0 0999 V2000 1.9640 -0.8150 -0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8380 -0.0070 0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8240 1.4120 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5480 -0.6620 0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -2.1070 0.7510 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0050 -2.7520 0.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1390 -2.6350 0.4530 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8950 -2.0760 1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2590 -4.1300 0.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0440 -4.9640 -0.1220 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6410 -4.4350 2.0410 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8820 -5.7990 2.5010 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1470 -6.4130 1.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6720 -6.4340 3.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4890 -6.6450 2.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2180 -5.6400 4.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1130 -5.7390 3.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4760 -4.6900 3.9480 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7190 -6.9580 3.6180 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8190 -7.1480 4.5560 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.7590 -6.3550 5.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2200 -7.1170 3.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6100 -5.6950 3.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3610 -8.0580 2.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5560 -8.4940 5.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1460 -9.4760 4.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7990 -8.4640 6.5930 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6710 -9.6070 7.5030 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.6120 -9.8930 7.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0590 -9.1930 8.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5510 -7.8020 9.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9590 -7.7300 10.4390 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5410 -10.8470 7.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7370 -10.6190 6.7960 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4440 -2.4860 -0.9420 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9200 -0.2870 -0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0880 -1.7870 0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7700 -0.9860 -1.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0490 0.0830 1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7840 1.9110 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 1.4020 -1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 2.0180 0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3060 -0.0230 0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7730 -0.6520 -0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8090 -3.6920 2.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9760 -7.4270 3.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 -5.6940 1.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3080 -7.2060 2.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7930 -7.2170 1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0240 -5.5470 5.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3830 -6.1460 4.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8830 -4.6330 4.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3980 -7.7920 3.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9470 -7.4430 4.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9750 -5.3220 2.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6470 -5.6680 3.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5310 -5.0050 4.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1680 -9.0980 2.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3800 -8.0160 2.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6760 -7.7880 1.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0220 -7.5710 7.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1520 -9.1600 9.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6990 -9.9460 9.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1210 -3.3000 -1.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8120 -6.8830 8.4850 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.9550 -11.9640 7.2870 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.4160 -2.1510 2.1910 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5350 -1.8220 2.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4300 -3.1180 2.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 39 1 0 0 0 0 3 40 1 0 0 0 0 3 41 1 0 0 0 0 3 42 1 0 0 0 0 4 5 1 0 0 0 0 4 43 1 0 0 0 0 4 44 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 67 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 35 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 45 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 53 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 25 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 54 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 61 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 33 1 0 0 0 0 30 31 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 31 32 2 0 0 0 0 31 65 1 0 0 0 0 33 34 2 0 0 0 0 33 66 1 0 0 0 0 35 64 1 0 0 0 0 67 68 1 0 0 0 0 67 69 1 0 0 0 0 M CHG 1 65 -1 M CHG 1 66 -1 M END