PUBCHEM-ZINC03204391 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 51 0 0 1 0 0 0 0 0999 V2000 -2.6310 1.9720 0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9650 0.4790 0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6910 -0.3160 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6310 0.2560 -0.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7310 -1.6630 0.0800 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 -2.4550 0.0690 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5200 -3.1660 -0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3740 -3.2140 1.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7070 -3.8370 1.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9920 -4.9080 2.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1790 -5.6680 3.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8020 -6.6230 4.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1700 -6.8330 4.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9980 -6.0960 3.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3930 -5.1180 2.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8990 -4.2320 1.6910 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8350 -4.1520 1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8850 -3.4710 1.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0160 -2.3790 0.1410 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8100 -1.6910 0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3280 -2.9860 -1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5030 -3.9640 -1.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7890 -4.5200 -2.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9000 -4.1000 -3.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7260 -3.1240 -3.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4420 -2.5700 -1.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9150 -2.6740 -3.8990 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.1660 -3.1640 -4.9860 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6420 -1.8140 -3.4360 O 0 5 0 0 0 0 0 0 0 0 0 0 0.6920 -1.5370 -0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 -1.1380 0.8770 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5520 2.5470 0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9890 2.1730 1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1150 2.2580 -0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4810 0.1920 1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6070 0.2780 -0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3810 -3.9940 1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0910 -2.5210 2.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1120 -5.5120 3.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2060 -7.2290 4.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6060 -7.5980 4.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0630 -6.2700 3.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6350 -4.2920 -1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1440 -5.2830 -3.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1230 -4.5350 -4.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0890 -1.8100 -1.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0850 -1.1620 -1.3230 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8490 -0.5720 -1.3790 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 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 30 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 18 2 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 46 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 30 31 2 0 0 0 0 30 47 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END