PUBCHEM-ZINC05817459 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 29 0 0 1 0 0 0 0 0999 V2000 -0.0820 1.8000 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 0.2740 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9710 -0.0490 1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3100 -0.4380 0.1000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8660 -0.0860 0.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 -0.1190 -1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8760 -0.9070 -2.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1550 -1.9000 0.2110 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1040 -2.3600 -0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1240 -2.6070 1.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2120 -2.1050 2.5020 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9790 -3.9610 1.1600 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -4.9170 2.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1740 -6.3770 1.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1850 -5.5770 2.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8990 2.2880 -0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 2.1000 -1.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6630 2.1940 0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5850 -0.0670 -0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4850 0.2080 2.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 -1.1090 1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9100 0.5130 1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9070 -4.2810 0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1730 -4.6800 2.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 -6.6850 0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5760 -7.0960 2.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2730 -5.7470 3.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1190 -5.3290 2.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9260 0.8490 -1.1220 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 19 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 29 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 M CHG 1 29 -1 M END