PUBCHEM-ZINC06761771 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 45 0 0 1 0 0 0 0 0999 V2000 0.3890 0.0540 1.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2520 -0.9090 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 -2.3280 0.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2240 -0.9640 -0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9520 -0.4100 -1.1750 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2980 -0.2480 -1.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0340 -0.4440 -0.2090 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6980 0.1650 -2.4010 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0890 0.3600 -2.7960 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6680 0.6580 -1.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6950 -0.8950 -3.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6790 -2.1350 -2.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7090 -3.1280 -2.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -4.2690 -1.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6090 -4.4190 -0.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5770 -3.4460 -0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6120 -2.3040 -1.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6070 -5.5210 -0.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8570 -6.0820 -0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0980 1.4980 -3.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0960 1.7920 -4.4830 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3210 2.1010 -3.9970 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5820 3.1640 -4.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0690 3.5760 -4.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7890 2.9620 -4.1470 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 0.0830 1.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 1.0780 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 -0.2360 2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -2.7690 1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6870 -2.9780 -0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7430 -2.3430 0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5820 0.0290 -0.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3570 -1.6140 -1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8650 -1.3340 0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9730 0.3520 -3.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1680 -1.1090 -4.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7330 -0.6960 -3.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9710 -3.0100 -3.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9110 -5.0200 -2.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2980 -3.5750 0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3670 -1.5450 -1.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1500 1.8550 -3.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2750 2.8050 -5.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9610 4.0250 -4.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3790 4.4570 -5.8450 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 24 45 1 0 0 0 0 M CHG 1 45 -1 M END