PUBCHEM-ZINC05838504 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 0.1840 1.7190 0.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 0.2160 0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8870 -0.5450 1.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 -2.0500 1.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5220 -4.2620 2.1600 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5100 -4.5300 1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2970 -4.7590 2.9420 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4940 -4.0040 3.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 -5.0270 4.3010 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1460 -4.8250 4.3870 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2480 -3.8210 4.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 -4.7900 2.9490 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5450 -4.0500 2.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0030 -5.9960 2.4760 O 0 5 0 0 0 0 0 0 0 0 0 0 2.7310 -5.7370 5.3480 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3820 -7.0420 5.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0980 -7.5880 6.5370 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 -6.5940 6.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7520 -5.4320 6.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -4.2640 6.3340 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3560 -4.3480 7.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6830 -5.4040 8.0620 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9900 -6.5610 7.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3130 -7.6450 8.6920 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2960 -6.0470 2.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5550 -6.3030 2.9930 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3710 -6.3430 3.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2210 2.0080 0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4570 2.2430 -0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 2.0600 1.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0510 -0.0360 0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 -0.0870 -0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9380 -0.2850 1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6440 -0.2350 2.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3360 -2.3430 1.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9810 -2.3970 0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6080 -7.5370 5.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9390 -3.4470 7.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7980 -8.5070 8.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0590 -7.5520 9.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4810 -5.9500 1.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3380 -6.9200 2.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5830 -2.7410 2.1910 N 0 3 0 0 0 0 0 0 0 0 0 0 2.5580 -2.4820 1.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3950 -2.4040 3.1440 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 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 4 43 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 5 43 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 M CHG 1 14 -1 M CHG 1 43 1 M END