PUBCHEM-ZINC06019553 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 22 0 0 0 0 0 0 0 0999 V2000 0.0080 1.7380 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 -0.0360 -0.0120 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8290 -0.4660 1.1070 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3620 -0.4860 -0.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8620 -0.4500 -1.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -0.5970 -1.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9420 -0.9020 -2.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1990 -1.0660 -3.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7970 -0.9280 -3.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1350 -0.6230 -2.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -1.0950 -5.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2400 -0.8900 -5.1140 O 0 5 0 0 0 0 0 0 0 0 0 0 4.4500 -1.0410 -2.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0430 -0.8120 -1.5640 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0380 2.0980 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 2.0830 -0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5040 2.0860 0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8100 -0.4710 -0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7260 -1.3020 -4.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9490 -0.5170 -2.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 -1.4220 -6.2160 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0160 -1.3710 -3.7540 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 5 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 18 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 8 9 2 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 21 2 0 0 0 0 13 14 1 0 0 0 0 13 22 2 0 0 0 0 M CHG 1 12 -1 M CHG 1 14 -1 M END