IBS-ZINC02224181 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 1 0 0 0 0 0999 V2000 -1.6920 -0.9410 0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2970 -0.3230 -0.0010 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3970 0.7670 -0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2590 -0.8370 -1.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 -1.9560 -1.4360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1580 0.0270 -2.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4850 1.2500 -2.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3420 1.7360 -3.8890 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7130 2.6150 -4.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3790 0.8550 -4.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7050 -0.2300 -3.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4520 -1.2870 -4.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8420 -1.2210 -5.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5010 -0.1220 -6.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7620 0.9380 -6.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -0.0040 0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9580 -0.3730 2.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0570 -0.7330 3.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 -0.3710 2.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3760 -0.3080 4.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9840 0.3050 5.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5090 -0.4980 6.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1160 0.0780 8.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1940 1.4580 8.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6700 2.2650 7.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0630 1.6940 6.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2490 -0.4810 0.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2860 -0.7990 -0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6320 -2.0200 0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0400 1.8290 -1.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7230 -2.1540 -3.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4150 -2.0370 -6.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8130 -0.0880 -7.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4950 1.7910 -6.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8160 1.0860 0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 -0.2860 -0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 -1.4450 2.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8810 0.2040 1.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 -0.4010 4.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2540 -1.8100 3.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8210 -0.9490 2.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1710 0.6920 2.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3410 0.1100 4.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4920 -1.3960 4.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4390 -1.5780 6.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7510 -0.5500 8.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8880 1.9040 9.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7370 3.3410 7.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4380 2.3440 5.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6430 -0.6760 1.1060 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3870 -0.0300 3.3870 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2020 0.9800 3.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 50 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 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 12 13 1 0 0 0 0 12 31 1 0 0 0 0 13 14 2 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 16 50 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 17 51 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 51 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 25 2 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 51 1 M END