PUBCHEM-ZINC05533284 MOE2007 3D CORINA 3.40 0006 02.08.2006 25 25 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5190 -0.3780 -0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6530 -0.5530 1.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -1.9510 1.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5780 -2.8690 2.0500 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2380 -1.9790 0.6960 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0530 -2.2060 1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4360 -0.5750 0.0820 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0580 0.0410 0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0260 -0.6730 -1.2560 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.4830 -1.3440 -2.1140 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0610 -0.0820 -1.5090 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.1840 -3.0290 -0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0860 -4.4030 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0620 -4.5290 1.3980 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7370 -0.5970 1.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 0.0640 2.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0890 -2.9640 -1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3130 -2.8480 -1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0260 -5.4860 -0.5940 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 -6.3460 -0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 14 15 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 15 16 2 0 0 0 0 15 24 1 0 0 0 0 24 25 1 0 0 0 0 M CHG 1 11 1 M CHG 1 13 -1 M END