PUBCHEM-ZINC04517182 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 38 0 0 1 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 1.2910 -2.0740 0.0850 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -2.8450 0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3880 -4.3390 0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9010 -5.1450 0.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5700 -6.6380 0.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8590 -7.4440 0.6500 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3770 -7.1040 1.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5220 -8.9060 0.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6350 -9.6450 -0.1600 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 2.1420 -2.5320 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 -2.5680 1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6230 -2.6330 -0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8610 -4.6170 -0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 -4.5520 1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 -4.8670 1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5810 -4.9320 -0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 -6.9160 -0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1100 -6.8510 1.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0180 -6.2880 -0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0950 -9.3880 1.9680 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7250 -7.2500 -0.5200 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2670 -7.5580 -1.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8910 -10.3320 2.0080 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 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 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 24 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 25 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 36 1 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 34 36 1 0 0 0 0 35 38 1 0 0 0 0 36 37 1 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 END