IBS-ZINC04089177 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 27 0 0 1 0 0 0 0 0999 V2000 0.0360 1.3900 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 -0.1300 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 -0.5290 0.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4630 -0.0440 -0.2650 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 1.8610 -0.1120 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0530 1.3230 0.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5700 3.3680 0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1530 3.9600 0.7900 P 0 0 3 0 0 0 0 0 0 0 0 0 3.7470 3.2590 1.9740 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 5.7380 1.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1330 3.9780 -0.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0130 3.0720 -1.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2700 1.6470 -1.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6660 1.0920 -2.3860 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4930 1.7600 -0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 1.8300 0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 -0.5990 -0.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 -0.5320 0.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2680 3.9560 -0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 3.6070 1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 6.1700 0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5050 5.9420 2.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5720 -1.3110 1.4120 O 0 5 0 0 0 0 0 0 0 0 0 0 4.2740 6.5300 1.0610 N 0 3 0 0 0 0 0 0 0 0 0 0 4.1210 7.5440 1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8070 6.2660 0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8620 6.2710 1.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4610 2.1140 -1.4160 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 4 2 0 0 0 0 3 23 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 13 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 2 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 13 28 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 M CHG 1 23 -1 M CHG 1 24 1 M CHG 1 28 -1 M END