IFLAB-ZINC02712772 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 22 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5850 -0.6640 -1.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 -0.0460 -1.9290 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -2.1710 -1.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3110 -2.6570 -2.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6260 -2.9620 -2.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2660 -3.4160 -3.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4510 -3.6980 -3.3870 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5520 -3.5360 -4.5390 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9840 -3.8470 -5.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2420 -3.2250 -4.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 -3.3380 -5.5860 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6210 -2.7980 -3.4390 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 -2.5830 -3.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4040 -0.4990 0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1330 -2.5320 -0.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4170 -2.5490 -1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1810 -2.8600 -1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 19 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 7 2 0 0 0 0 6 14 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 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 M END