CHEMBRIDGE-ZINC00456746 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 29 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1370 0.0200 1.1260 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4950 -0.4120 1.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -0.4890 1.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0540 -0.6000 1.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6770 -0.2970 0.1750 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 -1.0890 2.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 -1.4380 3.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7290 -1.8950 4.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1080 -2.0070 4.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8210 -1.6630 3.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1600 -1.2100 2.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2410 -0.6980 0.6370 I 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9330 -0.2470 -0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4190 -1.6200 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9600 0.0520 2.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0380 -0.1230 0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5240 -1.4960 1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 -0.7310 1.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9790 -1.3510 3.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1780 -2.1650 5.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6300 -2.3650 5.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8980 -1.7530 3.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 13 14 2 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 M END