PUBCHEM-ZINC05500578 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 22 0 0 0 0 0 0 0 0999 V2000 2.4610 -2.6620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 -1.9260 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1300 -0.7130 0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 -2.6150 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 -1.9850 0.0160 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2920 -2.6710 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5150 -2.0120 0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7380 -2.8390 0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8390 -2.3220 0.2160 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6150 -4.1700 0.0070 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4440 -4.7390 -0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2960 -4.0470 -0.1000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4540 -4.5210 -0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5800 -0.6400 0.2440 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 0.1360 0.1360 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8260 -0.0070 0.4700 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2800 -1.9430 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5300 -3.2920 0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5240 -3.2840 -0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3980 -5.8140 -0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5450 1.0870 0.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7710 0.9560 0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 20 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 15 21 1 0 0 0 0 16 22 1 0 0 0 0 M END