IBS-ZINC02194155 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 1.6830 2.1410 0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0260 0.8850 0.0720 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5570 0.0800 1.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 -1.1150 0.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2520 -1.6320 -0.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7700 -2.7210 -0.7030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 -0.7660 -1.4690 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8610 0.4830 -1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2510 1.1740 -2.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 -1.1690 -2.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3710 -1.5960 2.0950 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -0.6610 3.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6430 0.3620 2.4060 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 -0.8510 4.3320 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 -0.0490 5.3230 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7070 1.0100 5.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0330 -0.6510 5.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0690 -0.4910 4.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6920 0.7460 4.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6360 0.8960 3.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9620 -0.1870 2.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3460 -1.4220 2.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 -1.5740 3.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1370 -0.2150 6.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9040 -1.2320 6.6770 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0450 -2.8470 2.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0790 -3.9060 2.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 -4.2930 4.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8590 -5.2560 4.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7440 -5.8480 3.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7190 -5.4800 2.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -4.5160 1.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5670 1.9360 1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9990 2.6760 -0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9880 2.7760 0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4970 -0.3970 -3.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 -1.2490 -3.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4530 -2.1250 -2.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6630 -1.5370 4.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4420 -0.1880 6.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9320 -1.7180 5.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4370 1.6000 4.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1100 1.8600 3.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6910 -0.0680 1.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5920 -2.2650 2.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9200 -2.5370 3.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8060 -2.6290 3.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5920 -3.1970 1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 -3.8410 4.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 -5.5400 5.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4500 -6.5970 4.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4080 -5.9410 1.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8070 -4.2450 0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 0.6670 7.5300 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 24 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 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 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 2 0 0 0 0 24 54 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 30 31 2 0 0 0 0 30 51 1 0 0 0 0 31 32 1 0 0 0 0 31 52 1 0 0 0 0 32 53 1 0 0 0 0 M CHG 1 54 -1 M END