IBS-ZINC05197864 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 1 0 0 0 0 0999 V2000 -0.4070 1.5110 -0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3440 0.0440 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 -0.6770 1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2190 -2.0080 0.7500 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 -3.1820 1.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1910 -4.3730 0.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3510 -4.4110 -0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -3.2810 -1.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3890 -2.0140 -0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4680 -0.7940 -1.1210 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -0.3120 2.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0470 -0.4800 3.2880 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2330 0.1590 2.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4100 0.5520 4.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7930 1.0870 4.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2590 1.5080 5.5060 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3910 1.0040 3.2210 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5450 0.3910 2.1920 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4100 1.1530 1.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1580 -0.8720 1.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3900 -0.9690 0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9210 -2.1350 -0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2310 -3.2200 0.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0050 -3.1300 1.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4740 -1.9760 2.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3030 -4.1710 2.6480 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7300 1.5190 2.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8410 0.6780 3.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5530 2.5220 3.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2900 0.1760 3.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5610 0.4510 5.1810 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 1.9250 -0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.7600 -1.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9110 1.9960 0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 -3.0900 2.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 -5.3080 1.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3980 -5.3840 -1.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5790 -3.3090 -2.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1380 -0.1430 -0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0820 -2.1980 -1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6380 -4.1330 0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3060 -1.9610 3.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8720 1.5880 1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7550 2.5370 3.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7630 0.6590 4.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7900 -0.3510 3.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4720 2.4110 4.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8540 3.2720 3.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5700 2.8000 3.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0610 -0.7360 3.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2800 -0.0080 4.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2550 0.5740 3.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8190 -0.1860 4.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2280 1.2000 3.2500 N 0 3 0 0 0 0 0 0 0 0 0 0 7.2630 1.3360 2.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 2 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 53 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 31 2 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 42 1 0 0 0 0 27 28 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 28 54 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 29 54 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 54 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END