PUBCHEM-ZINC05964180 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 55 0 0 1 0 0 0 0 0999 V2000 -0.3490 1.2890 -0.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 -0.1740 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -0.6950 1.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2590 -2.2100 1.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1100 -3.0360 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 -2.4240 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 -1.0180 -1.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6050 -2.7720 2.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7460 -2.4520 1.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 0.1930 2.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3210 0.5650 2.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2950 1.3450 4.1660 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7210 0.7580 4.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6130 2.7100 4.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7400 1.4990 4.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8090 2.0690 6.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4340 3.2160 6.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5020 3.7870 7.7880 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9680 3.1190 8.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7960 5.1460 7.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9660 3.9070 8.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1800 4.2770 9.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2710 3.9280 10.4980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4710 1.6730 -1.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2840 1.4150 -1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4170 1.9270 0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 -4.0670 0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2030 -3.1050 -0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5420 -2.4000 -1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -3.0440 -2.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 -1.0790 -1.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5020 -0.5210 -2.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6710 -2.5960 2.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4640 -3.8550 2.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3490 -2.3290 3.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0150 -2.0160 2.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9680 -3.5240 1.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4160 -2.0150 0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 -0.2960 3.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6570 1.0950 2.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8610 1.1520 2.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9070 -0.3500 2.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6090 3.2670 4.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 2.6020 3.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1230 3.3220 3.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3240 2.1100 3.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2240 0.5140 4.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3240 1.4970 6.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9270 3.7880 5.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2950 5.8690 7.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7780 5.5680 8.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7570 5.0520 7.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4860 4.6420 7.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4780 2.9460 8.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2650 4.8840 9.9270 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 17 2 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 22 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 23 2 0 0 0 0 22 55 1 0 0 0 0 M CHG 1 55 -1 M END