PUBCHEM-ZINC03742479 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 51 0 0 0 0 0 0 0 0999 V2000 2.1180 0.2120 0.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1510 -1.0830 1.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -0.8270 3.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6400 -0.7970 3.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8590 -0.5450 5.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7850 -0.3080 5.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4700 -0.3230 5.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2840 -0.5770 4.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 -0.5160 3.8270 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 -0.6410 2.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7650 -0.2600 4.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1760 -0.1230 6.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0850 0.1350 7.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3420 1.5480 7.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 2.4690 7.5840 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2230 -0.1540 4.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0130 -1.1830 4.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4070 -1.0870 4.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0260 0.0420 4.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2420 1.0770 5.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8510 0.9770 5.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8150 2.1880 6.0780 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5190 3.0390 5.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2590 3.2180 3.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0100 4.1360 3.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0070 4.8840 3.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2560 4.7190 5.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5100 3.8000 5.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0530 0.7720 1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9780 -0.0020 -0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2970 0.8600 1.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2190 -1.6370 1.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9560 -1.7280 1.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.9710 3.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8730 -0.5240 5.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9620 -0.0980 6.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1440 -0.0020 7.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4620 -0.6000 8.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5490 -2.0800 4.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0080 -1.8990 4.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1090 0.1120 5.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2620 1.7890 5.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4690 2.6650 3.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8130 4.2740 2.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5850 5.6040 3.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0280 5.3090 5.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6960 3.6790 6.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4570 1.6240 8.4480 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 2 0 0 0 0 14 48 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 M CHG 1 48 -1 M END