PUBCHEM-ZINC04202502 MOE2007 3D CORINA 3.40 0006 02.08.2006 20 20 0 0 1 0 0 0 0 0999 V2000 -0.0130 1.5230 0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 -0.0170 0.1640 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6470 -0.3530 -0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 0.0550 2.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 1.5790 2.5540 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1480 1.8590 2.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 2.1190 3.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8660 2.0940 3.8580 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4090 -0.6330 -0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3820 -1.7780 -0.6980 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0170 1.8770 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5760 1.8880 -0.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4080 -0.3430 3.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1300 -0.2420 2.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5430 -0.5920 1.4280 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5380 -0.3720 1.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 2.1690 1.3480 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 1.9030 1.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 2.5010 4.7430 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.4140 0.0880 0.1170 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 2 15 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 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 17 1 0 0 0 0 7 8 2 0 0 0 0 7 19 1 0 0 0 0 9 10 2 0 0 0 0 9 20 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 M CHG 1 19 -1 M CHG 1 20 -1 M END