PUBCHEM-ZINC05131783 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 27 0 0 1 0 0 0 0 0999 V2000 0.8210 1.2020 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5330 -0.2750 0.2390 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2060 -0.6500 1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9190 -0.5280 0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2370 -2.5940 1.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2700 -1.8970 1.8120 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.0830 -2.3590 2.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2660 -0.8850 1.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2970 -3.9440 1.3080 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 -4.5110 0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0930 -4.4330 1.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 -1.0660 -0.9250 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 -0.7300 -1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2080 1.4630 -0.6210 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3800 0.9080 -1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4780 2.9670 -0.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6060 3.2660 -0.3690 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 1.5720 -0.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 1.7850 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0940 -0.0810 1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6210 -0.1270 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1540 -1.9860 0.7600 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 -2.5710 0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6260 3.6220 -1.5390 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2970 1.0270 0.3360 N 0 3 0 0 0 0 0 0 0 0 0 0 3.8840 0.2610 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0270 0.9260 1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8920 1.9200 0.2980 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 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 25 1 0 0 0 0 16 17 2 0 0 0 0 16 24 1 0 0 0 0 22 23 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 M CHG 1 6 1 M CHG 1 24 -1 M CHG 1 25 1 M END