PUBCHEM-ZINC05134634 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 1 0 0 0 0 0999 V2000 1.2510 1.5570 -0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2830 0.4170 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9670 -0.3820 0.9470 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2220 -0.8980 1.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6410 0.6790 1.7090 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1820 1.6440 0.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 0.2960 2.7050 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8650 1.2630 3.3190 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9190 -1.4180 0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1050 -1.2080 0.0840 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 -2.6020 0.0260 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2930 -2.7640 0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9370 -3.7690 -0.5880 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4830 -3.4070 -1.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9200 -4.4620 0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3020 -4.8020 1.5980 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9690 -5.2780 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 -4.8100 -1.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3100 -4.4910 -0.8360 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8270 1.3390 -1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 2.4930 -0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6630 0.8330 0.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -0.1680 -1.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2080 1.4050 0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1820 2.6610 1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3290 -5.3770 -0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7600 -3.7970 0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3610 -5.8120 -1.6920 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 8 2 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 17 1 0 0 0 0 18 19 2 0 0 0 0 18 28 1 0 0 0 0 M CHG 1 28 -1 M END