PUBCHEM-ZINC05965727 MOE2007 3D CORINA 3.40 0006 02.08.2006 20 19 0 0 1 0 0 0 0 0999 V2000 0.2470 1.2980 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3210 -0.0480 0.0300 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 -0.6460 1.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4150 -0.8450 1.7590 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9920 -1.2620 0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5220 -1.7710 2.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9930 -1.9280 3.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6880 -0.8780 3.1820 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9920 0.4250 2.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8650 0.1700 2.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 -0.8650 -0.9670 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4840 -0.4280 -2.0410 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3370 1.2860 -0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 1.8250 -0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 1.9100 0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5530 -0.0120 2.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5860 -1.6120 1.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0010 -1.3410 3.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0850 -2.7510 2.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3190 -3.0540 3.8230 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 11 1 0 0 0 0 3 4 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 6 7 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 8 2 0 0 0 0 7 20 1 0 0 0 0 9 10 1 0 0 0 0 11 12 2 0 0 0 0 M CHG 1 20 -1 M END