PUBCHEM-ZINC05685751 MOE2007 3D CORINA 3.40 0006 02.08.2006 25 25 0 0 0 0 0 0 0 0999 V2000 -0.0780 1.3830 -0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 0.0590 -0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4210 -0.5190 -0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5810 -1.7320 -0.1610 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6110 0.4290 -0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7770 -0.1350 -0.3570 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9260 0.6090 -0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 1.5910 0.3220 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 0.0420 -1.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0900 0.6190 -1.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1000 0.0370 -2.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7530 -1.0140 -3.1290 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2900 1.8760 -0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0260 2.3310 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 3.6780 -0.1210 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6290 4.7040 -0.0760 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 4.1930 -0.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0860 1.7910 -0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 -0.6260 -0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6090 -0.8610 -1.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3770 1.5230 -1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1160 2.5750 -0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9780 4.7100 -0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4210 5.0070 0.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1750 0.6970 -2.6050 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 14 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 19 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 25 2 0 0 0 0 13 14 2 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 23 1 0 0 0 0 17 24 1 0 0 0 0 M CHG 1 12 -1 M END