PUBCHEM-ZINC05605804 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 35 0 0 1 0 0 0 0 0999 V2000 0.0470 1.5890 -0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 0.2270 -0.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3690 -0.2520 -0.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1100 0.8850 -0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2960 1.9960 -0.3350 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7060 3.3930 -0.1620 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6680 3.5060 -0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7330 3.8450 1.3110 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7930 3.5240 1.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6420 5.3590 1.1070 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6050 5.7950 0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 5.4930 -0.0500 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9380 6.3290 -0.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 4.2820 -0.8420 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8050 5.6490 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6120 5.8050 -0.8110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2940 5.1200 -1.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2330 6.0020 2.3040 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7530 5.5280 2.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8880 3.5480 1.8910 O 0 5 0 0 0 0 0 0 0 0 0 0 3.4230 0.7600 0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2290 1.7770 0.7770 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9800 -0.4660 0.3260 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6610 2.4640 1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2720 -1.5870 -0.0640 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9820 -1.5270 -0.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3510 -2.7040 -0.8170 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5840 -0.8820 -1.5010 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.7430 2.3070 -0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1720 4.7640 0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 6.5320 0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3920 -2.7020 -1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8800 -3.5630 -0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 26 2 0 0 0 0 4 5 1 0 0 0 0 4 21 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 23 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 32 1 0 0 0 0 27 33 1 0 0 0 0 M CHG 1 20 -1 M END