PUBCHEM-ZINC03651494 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 27 0 0 1 0 0 0 0 0999 V2000 -0.0970 1.5290 0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 0.0460 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 -0.4550 -0.3770 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0930 -0.6590 0.1170 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9560 -0.1880 0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1730 -2.1100 -0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3430 -2.4880 -0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0130 -2.7350 1.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5790 -2.1640 2.3800 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5310 -2.5380 -0.5900 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6900 -3.6070 -0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6130 -2.2910 -2.1100 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4380 -1.2260 -2.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9930 -2.6850 -2.6480 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.1790 -3.7600 -2.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0430 -2.2940 -4.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1300 -1.7260 -4.4570 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0400 -1.9720 -1.9510 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6030 -3.0460 -2.7890 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8450 -2.9550 -3.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5750 -1.8210 0.0960 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3600 -1.8280 -0.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 1.9850 0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5160 1.9630 -0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7650 1.7380 0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2470 -3.8120 1.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5910 -1.6380 -2.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9990 -2.5770 -4.7970 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 8 9 2 0 0 0 0 8 26 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 21 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 16 17 2 0 0 0 0 16 28 1 0 0 0 0 18 27 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 M CHG 1 28 -1 M END