PUBCHEM-ZINC06177597 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 0 0 0 0 0 0999 V2000 -0.5150 1.1790 -0.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3620 -0.2760 -0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 -0.6640 1.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 -2.0220 1.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 -2.8910 0.4430 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1330 -2.4780 -0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2740 -1.1960 -1.1200 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -2.9860 -3.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 -1.8090 -3.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 -1.3900 -4.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1890 -2.1490 -5.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 -3.3300 -5.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5610 -3.7430 -4.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 -1.7030 -7.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8570 -0.6760 -7.4770 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3060 -2.4350 -8.1730 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1850 -1.9360 -9.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1260 -2.4580 2.7610 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 -3.8210 3.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8020 -4.7100 2.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7790 -6.0580 2.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -6.5340 3.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6540 -5.6380 4.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6310 -4.2920 4.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 -7.9780 3.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6350 -8.7550 3.1940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 -8.4350 4.9540 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 -9.8680 5.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4190 0.3370 2.2400 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.5100 0.6390 2.6890 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5880 0.8580 2.6840 O 0 5 0 0 0 0 0 0 0 0 0 0 0.4700 1.6370 -0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0430 1.2630 -1.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0830 1.6900 0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 -1.2240 -2.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3070 -0.4770 -5.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9490 -3.9180 -6.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0820 -4.6560 -3.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6430 -0.9490 -9.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8690 -1.8670 -9.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6910 -2.6180 -10.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 -1.8130 3.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 -4.3410 1.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3240 -6.7470 1.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 -6.0030 5.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 -3.6000 4.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3640 -10.1960 5.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0690 -10.3830 4.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 -10.1020 6.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 -3.4100 -1.8350 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 -4.3570 -1.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 18 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 50 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 8 50 1 0 0 0 0 9 10 2 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 50 51 1 0 0 0 0 M CHG 1 29 1 M CHG 1 31 -1 M END