PUBCHEM-ZINC05159550 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 38 0 0 1 0 0 0 0 0999 V2000 0.4280 1.6070 -0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 0.1100 -0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 -0.5520 1.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 -1.9630 1.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2270 -2.6540 -0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 -1.8930 -1.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4940 -0.5450 -1.3280 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -4.1480 -0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5310 -4.6440 -1.4900 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -2.7040 2.4710 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4320 -3.7050 2.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3380 -2.8200 3.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0020 -2.5270 4.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5080 -2.6640 4.7820 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8090 -3.7110 4.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0810 -1.8010 5.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 -0.5720 5.6950 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3470 -1.8120 2.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0340 -0.5900 2.8850 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9770 -4.2130 3.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5310 -4.9680 2.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 0.2180 2.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2300 1.9850 0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 1.9530 -1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5270 2.0340 0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4570 -2.3760 -2.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6450 -4.6760 0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9960 -4.4010 -0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4210 -5.6080 -1.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3260 -1.5270 4.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4670 -3.2200 5.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9360 -0.0700 2.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9910 -2.1630 3.4710 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8840 -1.1370 3.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2950 -2.4320 7.0250 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.3120 -2.2140 1.9480 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.8360 -4.5180 3.9670 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 33 1 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 18 19 2 0 0 0 0 18 36 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 22 32 1 0 0 0 0 33 34 1 0 0 0 0 M CHG 1 35 -1 M CHG 1 36 -1 M CHG 1 37 -1 M END