PUBCHEM-ZINC05558959 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 0 0 0 0 0 0999 V2000 -0.1600 1.3730 1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 0.5680 0.0610 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1930 -0.1800 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3870 0.4590 -0.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5470 -0.2870 -0.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5260 -1.6820 -0.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3180 -2.3220 -0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1520 -1.5740 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3170 -2.4510 0.4200 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 -1.6140 1.2990 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1060 -3.7670 0.8620 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1360 -2.6770 -1.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6630 -1.5260 -1.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4810 -1.9620 -2.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8490 -2.3010 -4.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -2.7160 -5.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9880 -2.7970 -5.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6520 -2.4720 -3.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8800 -2.0630 -2.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1630 -2.5550 -3.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6900 -2.2320 -2.7870 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.7250 -2.4890 -0.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9080 -2.2290 -0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1450 -3.0990 -0.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0580 -3.9630 -1.4280 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8460 1.7250 1.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7890 2.2500 1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 0.8000 2.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4220 1.5400 -0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4670 0.2300 -0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3010 -3.4090 -0.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8460 -3.4910 -1.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8360 -0.9080 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2740 -0.9000 -1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7670 -2.2410 -4.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1030 -2.9750 -6.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5640 -3.1180 -6.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -1.8170 -1.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6100 -3.3490 -1.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0310 -1.3960 0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7900 -2.9370 -4.9370 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1190 -2.8230 0.2470 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 41 2 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 42 2 0 0 0 0 M CHG 1 21 -1 M CHG 1 25 -1 M END