PUBCHEM-ZINC05488670 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 29 0 0 0 0 0 0 0 0999 V2000 1.4510 1.1990 -0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 -0.1920 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9710 -0.8450 1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -2.1640 1.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0440 -2.8660 0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5670 -4.1960 0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0550 -4.7390 -1.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 -3.9710 -2.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5420 -2.7120 -2.2870 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0730 -2.1840 -1.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4040 -0.8850 -1.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5370 -4.5230 -3.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6410 -5.0920 1.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3460 -5.8680 1.4450 O 0 5 0 0 0 0 0 0 0 0 0 0 0.6050 -2.7680 2.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5130 1.1650 -0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9120 1.7400 -1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3310 1.7700 0.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3870 -0.3230 1.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 -5.7510 -1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3730 -0.3940 -2.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5950 -4.7870 -3.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 -3.7870 -4.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 -5.4140 -3.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3870 -3.0020 3.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 -3.6560 2.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0650 -2.0720 3.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 -5.0230 1.9540 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 11 2 0 0 0 0 3 4 2 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 28 2 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 M CHG 1 14 -1 M END