PUBCHEM-ZINC05834101 MOE2007 3D CORINA 3.40 0006 02.08.2006 20 19 0 0 0 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 -1.0630 -0.6390 0.0090 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0430 -2.1040 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7460 -2.6300 1.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7250 -4.1600 1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4170 -4.6780 2.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8790 -3.9040 3.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2990 0.0530 0.0240 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 -1.5610 -2.4690 -0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 -2.4530 -0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2280 -2.2640 2.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7780 -2.2810 1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2420 -4.5250 0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6920 -4.5090 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5190 -6.0010 2.6860 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9720 -6.2860 3.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 8 2 0 0 0 0 7 19 1 0 0 0 0 19 20 1 0 0 0 0 M CHG 1 3 1 M CHG 1 9 -1 M END