PUBCHEM-ZINC03752624 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 0 0 0 0 0 0999 V2000 0.0080 1.5370 -0.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 0.1680 -0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 -0.5810 -0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3580 0.0330 -0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3590 1.4130 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 2.1600 -0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 -0.7830 -0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0880 -1.1460 -1.4460 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2540 -1.8630 -1.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0100 -2.2910 -0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1910 -3.0070 -0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6240 -3.2950 -1.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8770 -2.8830 -3.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6890 -2.1680 -2.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3410 -3.1550 -4.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8780 -4.2920 -4.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2010 -3.9340 -6.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7820 -4.6170 -7.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9860 -3.9610 -8.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5890 -2.6220 -8.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0070 -1.9230 -7.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8340 -2.6050 -6.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3170 -2.1670 -5.3510 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9700 -1.2320 -5.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6260 -4.6790 -9.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9710 -5.8910 -9.6840 O 0 5 0 0 0 0 0 0 0 0 0 0 8.1280 -5.6370 -4.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9010 -6.2700 -3.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9240 -6.5190 -4.4850 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 2.1200 -0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9220 -0.3170 -1.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 -1.6470 -0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2730 1.9150 0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1980 3.2280 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 -0.1900 0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3860 -1.6770 0.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7120 -2.0950 0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7760 -3.3510 0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5470 -3.8510 -2.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0780 -1.8530 -3.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0800 -5.6580 -7.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7380 -2.1070 -9.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7110 -0.8860 -7.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4790 -6.3470 -5.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9430 -5.5490 -3.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7770 -4.0170 -10.9370 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0320 -6.5330 -2.4870 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 12 13 2 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 23 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 25 1 0 0 0 0 20 21 2 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 25 46 2 0 0 0 0 27 28 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 28 29 2 0 0 0 0 28 47 1 0 0 0 0 M CHG 1 26 -1 M CHG 1 47 -1 M END