PUBCHEM-ZINC05187383 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 21 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5560 -0.6220 0.9240 N 0 3 0 0 0 0 0 0 0 0 0 0 0.5760 -2.0860 0.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 -2.5770 0.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0460 -4.1070 0.8900 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4540 -4.4740 0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4670 -4.5890 0.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0780 -4.9590 1.7250 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 0.0890 1.9840 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -2.4620 1.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.4520 0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5260 -2.2020 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5430 -2.2110 1.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4220 -5.6180 2.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0530 -4.6080 -0.4570 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 -4.6110 2.1480 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0110 -4.2850 2.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9660 -4.9260 -0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 8 9 2 0 0 0 0 8 19 1 0 0 0 0 18 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 M CHG 1 3 1 M CHG 1 10 -1 M END