IBS-ZINC05490089 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 1 0 0 0 0 0999 V2000 0.0270 1.1530 0.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 -0.1310 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4090 -0.7440 -0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5450 -0.0280 0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4360 1.2690 0.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 1.8490 0.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0410 3.1990 1.4360 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1050 3.6420 1.6140 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0780 3.8270 1.6920 O 0 5 0 0 0 0 0 0 0 0 0 0 3.8900 -0.6760 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7990 -2.1410 0.4410 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6370 -2.1670 1.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6550 -2.8980 -0.2730 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0610 -3.4250 -1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5720 -2.0040 -0.7480 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6990 -2.4750 -1.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1800 -3.6410 -1.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6040 -4.9460 -1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3810 -5.1480 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0150 -3.9230 0.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1280 -2.8790 0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0600 -4.1410 0.2090 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9660 1.5840 0.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7490 -0.6620 -0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3370 1.8010 1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1860 -0.5720 -1.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6460 -0.1610 0.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -1.6710 -2.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3150 -2.7730 -2.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6970 -3.4170 -0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 -3.7800 -2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0960 -5.7860 -1.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2920 -5.0340 -2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7150 -5.6150 0.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1670 -5.8900 -0.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7580 -4.3010 1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2530 -3.4230 1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1470 -2.1540 0.0160 O 0 5 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 15 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 21 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M CHG 1 38 -1 M END