IBS-ZINC02125917 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 1 0 0 0 0 0999 V2000 -0.5500 1.5640 1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3350 0.1000 0.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -0.5750 1.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8480 -2.0460 1.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6890 -2.8180 2.4920 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2670 -2.7170 3.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6150 -4.3080 2.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6630 -4.7130 1.4400 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0880 -2.3680 2.5190 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5840 -1.3460 3.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9040 -0.6860 4.0780 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0780 -1.1310 3.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5470 -0.0520 3.8900 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8750 -0.1760 4.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8420 -0.2220 3.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1940 -0.3600 3.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6110 -0.4510 4.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0080 -0.6230 5.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0880 -0.6910 4.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4050 -0.8580 4.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6760 -0.9630 6.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6290 -0.8990 7.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3070 -0.7300 6.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2490 -0.6700 7.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4950 -0.7770 8.8640 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9540 -0.4800 7.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6110 -0.3750 5.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2460 -0.2100 5.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2110 -0.1660 6.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3930 2.1180 1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2410 2.0270 0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9760 1.6700 2.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3020 -0.4170 0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 0.0280 -0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5810 -0.0380 1.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2220 -0.5020 2.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 -2.5270 1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3260 -2.1020 0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6800 -2.9300 1.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5830 -2.0740 3.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2420 -0.8950 2.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5540 -0.1490 2.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9030 -0.3980 2.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9360 -0.6140 3.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2170 -0.9060 4.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6980 -1.0930 6.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8490 -0.9810 8.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8940 -1.1820 6.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6000 0.3190 7.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3320 0.4130 6.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5480 -4.9210 2.3160 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 51 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 28 2 0 0 0 0 15 16 2 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 27 2 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 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 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 M CHG 1 51 -1 M END