PUBCHEM-ZINC06547971 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 33 0 0 0 0 0 0 0 0999 V2000 0.1410 0.7580 -0.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4720 -0.5540 -0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6760 -0.8460 0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 0.1880 0.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2100 1.5010 0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0080 1.7820 -0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 2.6000 0.6340 N 0 3 0 0 0 0 0 0 0 0 0 0 2.6920 3.6700 1.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3380 2.4360 0.5480 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0120 -2.1740 0.5200 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0490 -3.0560 0.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0960 -2.6770 1.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3850 -4.4840 1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3900 -5.4000 1.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7100 -6.7320 1.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0140 -7.1600 1.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0050 -6.2570 1.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6980 -4.9240 0.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 -8.5900 1.5500 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4800 -9.3870 1.8510 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4980 -8.9700 1.3980 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7950 0.9840 -1.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2070 -1.3510 -0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7450 2.8050 -0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0370 -1.0210 1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9390 -2.4590 0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6290 -5.0670 1.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 -7.4420 1.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0210 -6.5980 0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4720 -4.2200 0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7660 -0.1000 1.1970 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3370 0.6230 1.5020 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 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 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 31 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 24 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 25 31 1 0 0 0 0 31 32 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M CHG 1 19 1 M CHG 1 21 -1 M END