PUBCHEM-ZINC03678781 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 0 0 1 0 0 0 0 0999 V2000 -0.4890 0.6070 0.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4360 2.1710 0.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8780 3.0570 1.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9540 2.9970 2.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2810 2.8540 3.4180 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0160 3.0840 4.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2650 3.2230 5.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8870 3.4900 6.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2810 3.6130 7.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0320 3.4510 5.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4050 3.1820 4.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9320 3.9960 8.3280 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2080 3.9010 9.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1400 3.1980 8.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3280 3.7000 9.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2000 2.6000 9.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5200 2.4710 9.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0900 1.1970 9.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3670 0.0620 9.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0560 0.1640 9.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4980 1.4450 9.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2470 1.8330 8.6310 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5290 1.1890 8.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5470 5.1590 9.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2040 5.9190 9.4540 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.6370 5.7050 10.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4220 7.4190 9.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9140 8.0970 8.4650 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2050 7.8730 10.3610 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4440 9.2830 10.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 -0.2030 0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6070 0.7700 -0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4480 0.3810 1.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3570 2.4020 -0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 1.2940 0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8330 3.0220 1.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2950 3.0690 0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2650 3.9520 1.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5300 3.9300 2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6220 2.1440 2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1810 3.1410 5.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2620 3.6110 7.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1190 3.5330 5.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0310 3.0560 3.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0950 3.3470 10.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1080 1.0930 10.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8280 -0.9200 9.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4950 -0.7220 8.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1750 5.5500 8.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0960 5.3210 10.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5020 9.8300 10.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9580 9.5700 9.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0870 9.5300 11.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 1.8650 1.1990 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1560 1.7000 2.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3080 5.4540 8.2970 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.4580 6.0350 8.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7910 5.6520 7.4100 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