PUBCHEM-ZINC05799427 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 49 0 0 0 0 0 0 0 0999 V2000 0.3060 1.4180 -0.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 0.0240 -0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 -0.7450 -0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2380 -0.1280 0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3460 1.2680 0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3870 2.0670 -0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4540 3.4490 -0.3370 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5200 4.2300 0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2820 5.7200 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3870 6.5720 0.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1790 7.9880 0.3790 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1810 8.9040 0.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2980 8.6240 1.0500 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8280 10.3550 0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9130 12.6370 0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2510 13.3510 0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8940 13.1130 -1.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0130 11.6230 -1.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6710 10.9160 -1.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0320 -2.2060 -0.2400 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0530 -2.7120 -0.8060 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9180 -2.8490 0.3400 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.4590 2.0030 -1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6740 -0.4310 -1.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0080 -0.7050 0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2020 1.7180 0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7100 3.9390 -0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5550 4.0470 1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4850 3.9390 -0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2260 5.9090 -1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3100 6.0180 0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4270 6.4310 1.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3650 6.2910 0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2700 8.2890 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1870 10.4420 -0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3270 10.7780 1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5260 12.7270 1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1720 13.0240 -0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1090 14.4260 0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9290 13.0010 1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2920 13.5970 -1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8860 13.5770 -1.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4080 11.4830 -2.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7340 11.1670 -0.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9470 11.2860 -2.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7930 9.8350 -1.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0970 11.1700 0.0510 N 0 3 0 0 0 0 0 0 0 0 0 0 5.7770 10.7830 0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M CHG 1 47 1 M END