PUBCHEM-ZINC04477571 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 0 0 0 0 0 0999 V2000 -0.0280 1.3920 -0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 -0.0010 -0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 -0.6080 -0.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4190 0.1470 -0.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3270 1.5430 -0.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 2.1820 -0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0660 3.5850 -0.4960 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 4.2130 -0.1590 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 5.4830 0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2390 6.2810 0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3640 7.2600 -0.5530 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2010 5.8020 1.0170 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 6.1200 0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3980 7.1740 1.0880 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4570 5.4130 0.0550 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7120 -0.5640 -1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6050 -1.8400 -1.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.3330 -1.9820 -0.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9840 1.8640 -0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8340 -0.6040 -0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 2.1260 -0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 4.0730 -0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 4.9690 1.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0860 6.2880 1.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3290 4.5250 -0.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3890 5.7640 0.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3070 -2.1940 -0.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7550 0.1180 -1.2650 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 19 1 0 0 0 0 2 3 2 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 4 5 2 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 22 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 16 28 2 0 0 0 0 18 27 1 0 0 0 0 M CHG 1 17 -1 M END