PUBCHEM-ZINC02045125 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 27 0 0 1 0 0 0 0 0999 V2000 0.0840 1.6620 -0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1520 0.1700 -0.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2660 -0.3820 -0.8440 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8450 -0.1630 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2040 -1.8740 -1.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 -2.3350 -2.1610 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5020 2.2140 -0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4360 3.6420 0.1300 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3740 4.0520 1.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4330 5.3920 1.7450 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4370 4.5900 -0.9020 N 0 3 0 0 0 0 0 0 0 0 0 0 1.3800 4.2270 -2.0630 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4940 5.7780 -0.6370 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.4220 2.1910 -1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4690 1.8020 0.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7050 0.0290 -1.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 -0.3600 0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0180 1.2380 -1.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0070 1.6840 0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0540 2.0730 -1.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4340 6.0510 1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4740 5.6770 2.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0420 -2.6900 0.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9060 0.2460 -2.0070 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3870 0.0560 -2.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2590 3.1720 2.3940 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 2.2340 2.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0080 -3.6400 -0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 16 1 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 24 1 0 0 0 0 5 6 2 0 0 0 0 5 23 1 0 0 0 0 7 8 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 26 2 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 18 24 1 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 M CHG 1 11 1 M CHG 1 13 -1 M END