PUBCHEM-ZINC04533777 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 47 0 0 1 0 0 0 0 0999 V2000 -0.5800 1.2710 -0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0890 -0.1640 -0.0820 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9260 -0.8680 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8400 -0.3690 1.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 -0.6490 0.9420 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2490 -0.2420 2.3520 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 -0.3990 3.6060 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6180 -1.2900 3.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8350 0.8300 3.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 -0.6130 4.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2520 -0.3870 4.5260 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4620 -1.0550 5.9100 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 -1.3020 7.0910 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0720 -0.4760 7.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0990 -2.6300 6.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5880 -1.3130 8.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -1.4520 8.1380 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 -1.1730 9.5070 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4860 -1.1590 10.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8550 -1.2950 11.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3440 -1.2680 12.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4520 -1.1040 13.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 -0.9690 13.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3950 -0.9970 11.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9600 -1.0740 14.7980 N 0 3 0 0 0 0 0 0 0 0 0 0 3.1810 -1.1970 14.9640 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1380 -0.9260 15.7120 O 0 5 0 0 0 0 0 0 0 0 0 0 0.2570 1.9760 -0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1990 1.4160 -1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1850 1.5400 0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7450 -0.0410 2.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3870 0.7110 4.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5620 1.0160 3.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 1.7270 4.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4610 -1.2230 6.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3960 -3.4660 6.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7150 -2.8130 7.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7540 -2.6500 6.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0890 -1.0650 9.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 -1.4230 10.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4140 -1.3760 12.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6280 -0.8410 14.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4650 -0.8900 11.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6470 -0.4950 -1.3480 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4950 0.0850 -1.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -0.3730 -2.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9870 -1.4660 -1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 44 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 44 47 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M CHG 1 44 1 M END