PUBCHEM-ZINC06403453 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 21 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 -0.4720 -1.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 -1.8010 -1.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -2.5480 -0.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 -2.3610 -2.5690 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3590 -1.7590 -2.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 -2.3310 -3.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 -2.7820 -5.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3400 -2.7530 -6.1660 N 0 5 0 0 0 0 0 0 0 0 0 0 0.8050 -3.0470 -7.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8880 -3.7470 -2.3040 N 0 5 0 0 0 0 0 0 0 0 0 0 1.0890 -4.3250 -2.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3170 -3.0020 -3.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1470 -1.3160 -3.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0970 -2.1100 -5.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6330 -3.7960 -4.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 M CHG 1 10 -1 M CHG 1 12 -1 M END