CHEMBRIDGE-ZINC00314815 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 0 0 0 0 0 0999 V2000 -0.8000 1.6450 0.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5530 0.1620 0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4520 -0.2550 1.1140 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4480 -0.7030 0.0600 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1710 -2.0750 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1140 -2.9520 -0.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7810 -4.3790 -0.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7510 -5.3540 -0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4320 -6.6890 -0.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1550 -7.0650 -0.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 -6.1060 -1.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 -4.7670 -0.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8200 -8.5000 -0.8960 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6670 -9.3470 -0.6740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -8.8350 -1.2310 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1410 -2.5620 0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1140 -2.4240 -0.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 2.1800 0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8760 1.9390 -0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7300 1.8900 1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2840 -0.3750 -0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1100 -2.6060 -0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7480 -5.0620 0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1790 -7.4440 -0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8040 -6.4070 -1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2580 -4.0190 -1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2680 -3.1620 1.6950 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 -3.4660 1.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 5 6 2 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 9 10 2 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 17 2 0 0 0 0 16 27 1 0 0 0 0 27 28 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M END