PUBCHEM-ZINC05131711 MOE2007 3D CORINA 3.40 0006 02.08.2006 21 20 0 0 1 0 0 0 0 0999 V2000 0.4530 1.5820 0.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1870 0.2170 0.2960 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7420 -0.2400 0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 0.3620 -1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9120 -0.5310 -1.7550 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6920 2.9340 0.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7220 2.9290 -0.6390 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.3900 3.4510 -1.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1280 2.2530 -1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6400 3.6500 1.3520 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6830 3.7050 2.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3440 4.1600 0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1020 1.4680 1.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9710 2.2800 0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 1.3170 -1.7110 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2940 -0.7740 0.6050 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0020 -1.5900 1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1790 -0.3810 0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4930 -1.1160 -0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7650 2.2620 1.4420 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8410 2.3730 2.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 16 1 0 0 0 0 4 5 2 0 0 0 0 4 15 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 20 21 1 0 0 0 0 M CHG 1 7 1 M CHG 1 15 -1 M CHG 1 16 1 M END