PUBCHEM-ZINC05647594 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 34 0 0 1 0 0 0 0 0999 V2000 0.0790 1.1940 -0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 -0.1020 -0.5610 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3930 -0.5030 -0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1930 0.5880 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3400 1.6680 -0.0820 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6870 3.0590 0.1520 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6920 3.2010 -0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6810 3.5700 1.6130 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6720 3.3530 2.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5860 5.0860 1.3520 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5910 5.5090 1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 5.2220 0.0350 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3360 5.9210 -0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8420 3.9350 -0.6350 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6430 5.6600 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 5.8360 -1.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9460 5.0300 -1.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9630 5.7320 2.4580 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5240 4.9380 2.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5970 3.2220 2.3060 O 0 5 0 0 0 0 0 0 0 0 0 0 3.5140 0.6780 0.1490 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7960 -1.8970 -0.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0450 -2.2290 -0.4390 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1950 -3.6140 -0.6130 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7350 -2.7190 -0.8080 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 1.8450 -0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2510 4.9070 0.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7340 6.6140 0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0920 -0.1600 0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.5290 0.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1540 -3.7280 -0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1930 -2.3120 -0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8930 -3.7100 -0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 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 15 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 21 29 1 0 0 0 0 21 30 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 24 31 1 0 0 0 0 25 32 1 0 0 0 0 25 33 1 0 0 0 0 M CHG 1 20 -1 M END