PUBCHEM-ZINC03869928 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 46 0 0 1 0 0 0 0 0999 V2000 0.2230 1.2260 0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1520 -0.1380 -0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1470 -0.8710 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3990 -2.8950 -0.5540 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9980 -2.4750 -1.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1710 -4.3680 -0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9930 -4.7360 -2.0740 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9780 -5.3330 0.2520 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2820 -6.3290 -0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8220 -4.9340 1.4620 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4860 -5.5050 2.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7200 -3.4260 1.7670 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6850 -3.1480 2.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1550 -2.6760 0.6200 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6290 -3.0420 2.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3460 -1.7290 3.4140 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6400 -1.6160 4.8980 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 -2.2090 4.6600 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1750 -5.3260 1.1870 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6810 -5.2500 2.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 -5.3850 0.5990 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3680 2.0710 -0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6890 3.3140 0.5560 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0870 3.0590 1.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6890 4.2520 -0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1980 5.4380 -0.1910 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7290 1.7530 0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3600 1.0780 1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2160 -0.0110 -1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0200 -0.7370 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 -0.8870 1.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9900 -0.3230 -0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6790 -3.0370 2.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5200 -3.7730 3.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 -5.6970 -0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 1.4540 -0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 2.3540 -1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0880 -2.2360 -0.5610 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7350 -2.2350 -1.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6440 -0.1220 5.1930 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.5420 -2.4380 5.8100 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7490 3.7720 -0.6340 O 0 5 0 0 0 0 0 0 0 0 0 0 0.4450 4.1390 0.8070 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1720 4.1900 1.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 3.9130 0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 5.0920 0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 4 38 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 21 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 19 20 1 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 43 1 0 0 0 0 25 26 2 0 0 0 0 25 42 1 0 0 0 0 38 39 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 43 46 1 0 0 0 0 M CHG 1 40 -1 M CHG 1 41 -1 M CHG 1 42 -1 M CHG 1 43 1 M END