PUBCHEM-ZINC02824753 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 40 0 0 0 0 0 0 0 0999 V2000 -1.0240 0.7450 0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6710 1.4480 2.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 3.1710 0.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3780 3.7980 -0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8430 5.1870 -0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6640 5.8430 -1.5710 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8610 6.4400 -1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3250 6.4530 -0.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5400 7.0530 -2.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7080 7.6790 -2.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4240 8.3160 -3.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9530 9.6010 -3.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6360 10.2410 -4.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8010 9.5810 -5.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3020 8.2880 -5.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6190 7.6590 -4.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5010 10.2520 -6.4910 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.8930 11.4120 -6.3000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6620 9.6240 -7.5470 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.4910 -0.1520 0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 0.5830 0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5370 1.0240 -0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4060 1.2810 2.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1930 0.5350 2.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8990 2.2500 3.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 2.9670 0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5620 3.8350 1.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3470 3.1740 -1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4310 3.8640 0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8120 5.8210 0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1720 5.1200 -0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3370 5.8590 -2.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0650 6.9900 -3.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1630 7.7670 -1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8230 10.1230 -2.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0250 11.2440 -4.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4320 7.7590 -6.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2450 6.6490 -4.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1850 1.8620 1.3430 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.1950 2.0240 1.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 39 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 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 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 39 40 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M CHG 1 39 1 M END