PUBCHEM-ZINC00664941 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 1 0 0 0 0 0999 V2000 -0.2680 5.2410 0.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2760 3.6270 1.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6490 2.1670 1.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5060 1.3920 2.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 1.5080 1.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1720 2.9650 1.3110 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4710 3.4400 2.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3450 2.9810 0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8570 2.4810 -0.9570 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7460 3.3870 -1.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4340 4.3970 -2.0630 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 3.0460 -2.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 4.1920 -3.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 5.0240 -3.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 6.0920 -4.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4640 6.3640 -5.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6520 5.5690 -5.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9710 4.4910 -4.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 3.6400 -5.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7110 2.2760 -5.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1400 1.3100 -4.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6040 1.6270 -3.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1620 0.5350 -2.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1880 -0.7890 -3.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6680 -1.0770 -4.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1380 -0.0400 -5.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5460 3.0380 -1.8170 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 5.7240 0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 5.6560 1.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0860 5.3660 -0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 4.1030 2.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0810 4.1680 1.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9070 1.7310 0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5400 2.0880 2.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7870 0.3380 2.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3030 1.7730 3.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5580 0.9900 0.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5630 0.9700 2.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1420 2.3080 0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7860 3.9790 0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 4.8680 -2.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1410 6.7110 -4.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7010 7.1900 -6.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2720 5.7930 -6.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8540 3.5590 -4.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7430 4.1210 -6.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5950 1.8010 -6.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9730 2.3910 -6.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 0.6970 -1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 -1.5890 -2.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6900 -2.1010 -4.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5220 -0.2920 -6.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3020 2.5910 -2.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 3.7670 0.7730 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2600 3.3950 -0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 54 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 2 54 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 54 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END