PUBCHEM-ZINC04513802 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 66 0 0 1 0 0 0 0 0999 V2000 -0.3910 1.4220 1.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 0.1630 0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9150 -0.4830 0.5310 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1140 0.1450 0.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2200 -0.3920 0.7460 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0020 1.4430 1.2990 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8590 1.9190 1.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8330 2.1520 1.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8010 3.3150 1.8230 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0150 -1.8610 0.0650 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4850 -2.4380 0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8270 -1.9970 -1.2400 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9520 -1.0360 -1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0090 -2.9640 -2.0910 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6090 -3.7430 -2.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -3.5440 -1.1000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4740 -4.3360 -0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 -2.4440 -0.2050 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2920 -4.0450 -1.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0390 -4.6670 -0.6720 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4850 -5.2600 -1.0890 P 0 0 0 0 0 0 0 0 0 0 0 0 -4.4100 -4.1260 -1.4860 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9830 -5.7480 0.3840 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3670 -6.0610 0.4840 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.7110 -6.5190 -0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1700 -4.8190 0.8780 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.2310 -5.0380 0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9450 -4.7300 2.3880 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.8670 -4.4100 2.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6580 -6.0760 2.8550 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6610 -6.9490 1.6970 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.6860 -7.3370 1.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7830 -8.0710 1.9450 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4740 -8.0230 2.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9730 -9.2260 2.5560 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0020 -10.0980 2.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1270 -9.3950 1.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3080 -9.9130 1.4760 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2890 -11.2600 1.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2830 -12.0760 1.9430 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1060 -11.5050 2.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0750 -12.3280 2.7200 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8010 -3.8180 2.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8120 -3.7310 4.2680 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9530 -4.6420 4.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8890 -3.6000 0.2140 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3010 -3.7850 -0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3420 -2.2300 -3.1250 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2740 -1.6020 -2.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1310 -2.5020 -0.9560 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5380 -1.8430 -0.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3380 1.9350 1.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1940 -0.3950 0.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8870 -3.2190 -2.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0950 -4.7770 -2.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9440 -7.0890 2.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2080 -11.7560 1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1980 -11.9060 2.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2230 -13.3270 2.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8240 -4.2130 2.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9120 -2.8020 2.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2970 -6.4760 -1.9560 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 8 1 0 0 0 0 1 52 1 0 0 0 0 2 3 1 0 0 0 0 2 53 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 50 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 48 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 21 62 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 31 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 46 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 43 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 37 1 0 0 0 0 34 35 2 0 0 0 0 34 56 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 41 2 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 39 57 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 58 1 0 0 0 0 42 59 1 0 0 0 0 43 44 1 0 0 0 0 43 60 1 0 0 0 0 43 61 1 0 0 0 0 44 45 1 0 0 0 0 46 47 1 0 0 0 0 48 49 1 0 0 0 0 50 51 1 0 0 0 0 M CHG 1 62 -1 M END