IBS-ZINC02197907 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 59 0 0 0 0 0 0 0 0999 V2000 -0.2190 1.1720 -0.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1520 -0.1980 -0.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0840 -0.8080 -0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2620 -0.0580 -0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 1.3130 -0.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9490 1.9330 -0.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4300 2.0910 -0.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3900 3.2970 -0.7050 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5940 1.3720 -0.2250 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5520 0.0130 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4810 -0.7080 0.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8820 2.0640 -0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3810 2.3940 1.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8570 2.8130 1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4040 3.1720 2.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5570 4.2050 3.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0670 3.8410 3.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5480 3.5000 1.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 5.6370 2.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3480 5.8970 1.7330 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3590 6.5970 3.6910 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4900 8.0240 3.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1210 8.6670 3.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2370 10.1820 3.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8600 10.8390 2.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9760 12.3510 2.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6450 13.1090 2.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5960 12.4280 2.8450 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 1.6460 -0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0620 -0.7940 -0.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1310 -1.8770 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8950 3.0020 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5340 -0.4510 0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6070 1.4010 -0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8200 2.9780 -0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3050 1.4890 1.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4600 1.9950 0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9790 3.6630 0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4470 2.2540 3.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4380 3.5240 2.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8920 4.1930 4.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9110 2.9700 3.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4570 4.6510 3.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5560 4.4030 1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5030 3.1840 1.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9200 6.3080 4.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9780 8.4450 4.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1370 8.2050 2.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6320 8.2220 2.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4800 8.4470 4.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7740 10.6140 3.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8300 10.3980 2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3170 10.4080 2.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2720 10.6180 3.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5440 12.7760 3.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5380 12.5660 1.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7700 14.3500 2.4700 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 2 0 0 0 0 10 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 28 2 0 0 0 0 27 57 1 0 0 0 0 M CHG 1 57 -1 M END