PUBCHEM-ZINC03678778 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 0 0 1 0 0 0 0 0999 V2000 -1.4690 1.4010 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7970 0.7710 0.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 3.0090 1.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2150 3.5760 2.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 2.6950 3.5010 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9620 3.1680 4.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 2.4350 5.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3500 2.8160 6.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1810 3.9440 7.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4080 4.6630 5.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8040 4.2780 4.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8470 4.3300 8.3320 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4250 3.7420 9.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7220 5.7740 8.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7280 6.5800 9.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1780 7.8710 9.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6930 9.0930 9.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8450 10.2030 9.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5040 10.1090 9.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9700 8.9080 9.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8290 7.8060 9.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5750 6.5220 8.6160 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6710 6.1980 8.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1160 6.0770 9.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1460 4.5340 9.4510 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.6910 4.1350 10.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5690 4.0130 9.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9200 3.2410 8.4560 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3460 4.4900 10.3460 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7000 4.0300 10.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6760 0.3350 -0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0600 1.8290 -0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3820 1.9200 0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 1.2060 -0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5090 -0.2680 0.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4540 0.8240 1.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 3.5700 0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8220 3.0110 1.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9040 4.5800 2.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1830 3.6300 1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1030 1.5600 5.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1530 2.2190 7.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0540 5.5410 5.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0170 4.8640 3.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7360 9.1810 10.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2390 11.1470 10.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8620 10.9840 9.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 8.8390 8.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5170 6.4810 10.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7600 6.4450 8.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1920 4.3440 9.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7350 2.9420 10.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2280 4.4820 11.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 1.5570 1.1060 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8530 1.1560 1.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3080 3.9670 8.2960 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.7120 4.2970 7.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4160 2.9430 8.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 54 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 2 54 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 54 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 42 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 56 1 0 0 0 0 14 15 2 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 15 24 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 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 56 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 54 55 1 0 0 0 0 56 57 1 0 0 0 0 56 58 1 0 0 0 0 M CHG 1 54 1 M CHG 1 56 1 M END