PUBCHEM-ZINC05131807 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 28 0 0 1 0 0 0 0 0999 V2000 -0.2400 1.4380 0.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 -0.0930 0.7100 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2150 -0.5540 -0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9850 -1.8820 1.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3030 -2.0830 1.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8830 -0.9980 0.7410 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5140 -0.5980 0.8720 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 2.1310 2.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4530 1.0510 3.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1970 0.3210 2.9600 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2850 3.6840 0.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1270 3.8990 -0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1310 3.1360 -0.4190 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 1.8800 0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6950 1.5920 -0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 -2.5100 1.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1830 -2.1780 2.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8010 -0.3430 1.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9200 3.0960 3.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 1.9930 2.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 4.1180 0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8140 4.2040 1.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -0.4320 1.8560 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5780 -0.0040 1.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6360 -3.2810 0.8510 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0900 2.2370 1.4130 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.0320 1.7910 1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2800 1.0590 4.9420 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.7110 4.8040 -1.0980 O 0 5 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 15 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 23 1 0 0 0 0 4 5 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 4 23 1 0 0 0 0 5 6 2 0 0 0 0 5 25 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 8 26 1 0 0 0 0 9 10 2 0 0 0 0 9 28 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 11 26 1 0 0 0 0 12 13 2 0 0 0 0 12 29 1 0 0 0 0 23 24 1 0 0 0 0 26 27 1 0 0 0 0 M CHG 1 25 -1 M CHG 1 26 1 M CHG 1 28 -1 M CHG 1 29 -1 M END