PUBCHEM-ZINC05431854 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 35 0 0 0 0 0 0 0 0999 V2000 2.0830 1.4890 -0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4830 0.1070 -0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0950 -0.3940 0.8450 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3780 -0.5670 -1.3400 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7900 -1.8930 -1.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 -2.5010 -2.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1350 -3.8980 -2.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1010 -4.4970 -4.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0800 -5.2950 -4.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9100 -6.1220 -5.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9550 -6.2440 -6.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7900 -7.0180 -7.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5910 -7.6710 -7.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4480 -7.5540 -6.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 -6.7880 -5.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7270 -8.2560 -7.2320 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8640 -8.9360 -8.2330 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6440 -8.1540 -6.4360 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0260 -4.1940 -4.9100 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9980 -4.5820 -6.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9820 -3.5560 -4.5050 O 0 5 0 0 0 0 0 0 0 0 0 0 3.1600 1.4160 -0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8870 1.9800 -1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6380 2.0700 0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3880 -2.5260 -0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 -1.8230 -0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1570 -1.8680 -3.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7700 -2.5720 -3.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7340 -4.5320 -1.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 -3.8280 -2.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0030 -5.3420 -3.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8900 -5.7340 -6.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5970 -7.1130 -8.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 -8.2750 -8.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1050 -6.7010 -5.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M CHG 1 19 1 M CHG 1 21 -1 M END