PUBCHEM-ZINC01230686 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 0 0 0 0 0 0999 V2000 -4.5310 -0.6340 -0.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3010 -1.5170 -0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0450 -1.6540 0.7020 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7360 -2.6910 1.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9660 -4.0090 1.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9750 -0.6380 1.4540 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -1.3640 2.5480 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1760 -0.0670 0.4270 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9110 0.6830 2.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2810 0.5670 2.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0210 1.6150 2.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3690 2.7740 3.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9990 2.8770 3.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2710 1.8330 2.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 1.9500 2.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4880 1.4980 2.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0530 0.4870 2.5820 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2000 2.5110 3.4850 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.5640 2.3600 3.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0760 1.1270 4.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4300 0.9790 4.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2880 2.0560 4.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7990 3.2870 3.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4300 3.4540 3.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8990 4.7690 3.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7260 4.8870 2.8650 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6700 -0.4600 -2.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4120 -1.1320 -0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3870 0.3200 -0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4800 -2.5020 -1.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4360 -1.0610 -1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7880 -2.3910 2.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7440 -2.8240 1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9140 -4.3090 0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9580 -3.8760 1.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4800 -4.7800 1.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7790 -0.3320 1.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9350 3.5890 3.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4940 3.7740 3.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 2.4660 1.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3790 2.5140 3.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3310 0.9540 2.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7600 3.3460 3.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4140 0.2820 4.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8230 0.0180 4.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3460 1.9290 4.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4730 4.1220 3.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7150 5.8410 3.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3220 6.6820 2.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 2 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 48 49 1 0 0 0 0 M END