PUBCHEM-ZINC03657057 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 1 0 0 0 0 0999 V2000 0.1880 -0.2320 2.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 0.2070 1.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9890 1.5570 0.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 2.4490 1.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0310 2.0080 2.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 0.6710 2.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2780 0.2080 3.3360 N 0 3 0 0 0 0 0 0 0 0 0 0 2.3750 -0.9690 3.6350 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1190 1.0030 3.7160 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.1390 3.8820 1.0480 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0740 4.2720 0.3710 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7050 4.6710 1.4320 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.9080 -0.7550 0.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0850 -0.4540 0.8750 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5340 -1.9660 0.3830 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1650 -2.5000 0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2160 -3.9010 -0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5160 -3.8470 -1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4340 -2.9770 -0.2020 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8850 -3.5830 0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5010 -2.3120 -1.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2730 -1.2520 -1.5770 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7090 -2.8940 -1.1690 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7460 -2.2470 -1.9760 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.6700 -1.1660 -1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1250 -2.7110 -1.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3580 -2.2300 -0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5060 -1.5810 0.4760 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5140 -2.5220 0.5370 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5630 -2.6210 -3.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6580 -3.3530 -3.7490 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 -1.2750 2.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8170 1.9030 0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7780 2.7100 2.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4890 -1.8490 -0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1990 -2.5760 1.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 -4.0650 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2860 -4.6750 0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3360 -3.3670 -2.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9360 -4.8440 -1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8910 -3.7410 -0.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8920 -2.3000 -2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1710 -3.8000 -1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1960 -3.0410 0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6640 -2.2120 1.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4040 -2.1420 -4.3540 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2460 -2.4090 -5.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 30 1 0 0 0 0 26 27 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 30 31 2 0 0 0 0 30 46 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M CHG 1 10 1 M CHG 1 12 -1 M END