PUBCHEM-ZINC05668889 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 1 0 0 0 0 0999 V2000 -0.3300 -0.0850 -1.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7860 1.3510 -1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 2.2410 -1.2560 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2570 1.6760 -1.1450 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7900 0.9510 -0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8410 1.7080 -2.5660 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6560 0.9890 -2.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3440 3.0640 -2.7860 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1470 3.8390 -1.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4740 5.0050 -1.6380 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 3.0800 -0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 3.5020 0.4690 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9820 3.5170 -4.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4920 3.2810 -3.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1580 3.7540 -5.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6670 3.5180 -5.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3340 3.9920 -6.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8200 3.7590 -6.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2980 3.2660 -5.3530 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7650 1.3870 -3.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6660 0.1110 -4.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6790 -0.1840 -5.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2070 0.7980 -5.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 2.0750 -4.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8820 2.3700 -3.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2640 0.4830 -6.4050 N 0 3 0 0 0 0 0 0 0 0 0 0 1.3530 -0.6420 -6.8640 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0450 1.3480 -6.7580 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.2590 -0.4760 -2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6460 -0.1410 -0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0490 -0.6760 -0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7880 4.5800 -4.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5760 2.9590 -4.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6860 2.2180 -3.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8980 3.8400 -3.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9640 4.8180 -5.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7520 3.1960 -6.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8610 2.4550 -5.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0730 4.0770 -4.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1400 5.0550 -6.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9280 3.4330 -7.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3580 -0.6560 -3.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 -1.1810 -5.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 2.8420 -5.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 3.3680 -3.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6140 4.1000 -7.3740 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5610 3.9320 -7.2720 H 0 0 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 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 18 46 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M END