PUBCHEM-ZINC05411407 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 1 0 0 0 0 0999 V2000 0.0330 1.6320 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 0.1010 -0.1230 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4980 -0.2150 -1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5220 -0.4120 -0.1420 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9680 -0.1460 0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4860 -1.9620 -0.2110 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7670 -2.5820 0.9870 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7220 -3.6710 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6300 -2.0030 1.2060 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9310 -2.1780 2.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7510 -2.5340 0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7940 -1.7210 0.4340 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.5750 -2.3440 2.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4930 -2.4190 1.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8550 -2.4090 -0.1830 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2710 -1.7180 -0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1460 -0.0020 -1.2410 O 0 5 0 0 0 0 0 0 0 0 0 0 1.3880 2.0130 0.2750 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4200 2.9840 0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2990 2.1340 -0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5760 1.9890 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0350 -2.3230 -1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8630 -3.6010 0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3110 -2.6010 -0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6390 -0.5120 1.0530 N 0 3 0 0 0 0 0 0 0 0 0 0 1.6700 -0.3860 0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4150 -0.0460 1.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 25 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 17 1 0 0 0 0 6 7 1 0 0 0 0 6 15 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 18 19 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 12 -1 M CHG 1 17 -1 M CHG 1 25 1 M END