PUBCHEM-ZINC03599570 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 58 0 0 1 0 0 0 0 0999 V2000 0.3060 0.9830 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 1.0550 2.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6130 1.5990 3.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2770 3.5470 2.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4910 3.0380 1.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 3.5320 4.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6450 5.0540 4.8950 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7050 5.5600 4.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1540 5.5320 6.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6410 6.8420 5.9330 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0970 6.7940 4.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6680 5.5250 4.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6240 6.8550 4.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3750 7.0170 5.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7700 7.0290 5.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4470 6.8820 4.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7270 6.7370 3.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3200 6.7370 3.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6590 6.5680 1.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5160 7.1340 1.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6620 8.0420 2.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4430 7.9170 3.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5810 8.8420 4.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9360 9.8430 3.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1400 9.9450 2.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9970 9.0520 1.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2780 -0.1080 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3370 1.3480 -0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2200 1.3220 -0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2390 1.4040 2.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1790 -0.0400 2.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6120 1.1450 3.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1190 1.2760 4.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2300 4.6390 2.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3280 3.2470 2.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9960 3.3220 0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5350 3.4250 1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9850 3.1830 5.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4970 3.0720 4.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9930 4.9320 6.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3790 5.5780 6.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8770 7.1320 6.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3260 7.1500 6.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5330 6.8860 4.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2780 6.6340 2.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1880 5.9360 1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1780 6.9310 0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3950 8.7870 5.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 10.5400 4.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6370 10.7210 1.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1510 9.1620 0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4120 1.5280 1.1560 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.3770 1.1740 1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7180 3.0720 3.6280 N 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 52 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 2 52 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 54 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 4 54 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 5 52 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 6 54 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 22 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 42 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 16 17 2 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 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 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 48 1 0 0 0 0 24 25 2 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END