PUBCHEM-ZINC04202503 MOE2007 3D CORINA 3.40 0006 02.08.2006 20 20 0 0 1 0 0 0 0 0999 V2000 -0.0600 1.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0940 -0.0210 0.0170 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1230 -0.3940 -0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -0.0030 2.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 1.5330 2.4170 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0970 1.9050 2.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 1.9350 3.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9990 1.9190 3.5660 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7090 -0.4230 -1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9720 -0.4080 -1.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 1.8890 -0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6420 1.8890 -0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 -0.3760 3.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9880 -0.3770 2.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5680 -0.6140 1.2100 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5650 -0.3930 1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5950 2.1260 1.2240 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5920 1.9040 1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 2.2080 4.7030 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0050 -0.6950 -2.2690 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