PUBCHEM-ZINC05161731 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 0 0 0 0 0 0999 V2000 0.0000 1.3630 0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -0.0170 0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 -0.6790 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 0.0490 -0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3380 1.4280 -0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 2.0850 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 3.5630 -0.0980 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0420 4.1430 0.1120 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 4.2000 -0.3480 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6680 -0.6530 -0.5010 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7140 -0.1800 -0.0950 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -1.7030 -1.1180 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2900 -2.0740 0.0850 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -2.8450 0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3820 -4.3170 0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7200 -5.3300 0.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 -6.6480 0.4230 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2390 -7.5990 0.4110 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 -4.6830 0.1530 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9320 1.8790 0.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 -0.5800 0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2300 1.9950 -0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1410 -2.5320 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 -2.5680 1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6230 -2.6330 -0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2280 -5.1630 1.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 -5.2280 -0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 20 1 0 0 0 0 2 3 2 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 13 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 15 19 2 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 17 18 3 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M CHG 1 10 1 M CHG 1 12 -1 M CHG 1 17 1 M END