IBS-ZINC02279497 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 62 0 0 0 0 0 0 0 0999 V2000 0.4950 -1.9030 -0.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6840 -2.1280 0.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 -0.8450 2.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 -0.6280 2.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3850 -0.3520 1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5170 1.1760 1.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8900 1.6020 1.0740 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1860 2.9550 1.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4900 3.4420 0.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7280 4.8160 0.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1180 5.1520 0.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8250 6.3860 0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2190 6.3350 0.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8360 5.0760 0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1770 3.8970 0.2950 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8590 3.9990 0.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9500 2.5730 0.6170 S 0 0 0 0 0 0 0 0 0 0 0 0 11.2690 4.8670 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9960 3.8600 -0.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3630 4.1950 -0.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3920 5.3750 0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1320 5.7850 0.5430 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0140 7.6170 0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1640 8.8640 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0270 8.9040 0.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1060 7.7100 0.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7240 5.7120 1.0870 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5190 5.1690 1.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2030 3.8670 1.2660 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3850 -1.4760 -1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2830 -2.8560 -1.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 -1.2310 -1.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2230 -2.5750 1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5330 -2.7860 0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9890 -0.0440 3.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7840 -1.8080 3.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5870 -1.4160 2.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3380 -0.6220 3.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3100 0.3330 2.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7530 -0.6840 0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9620 -0.8700 1.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 1.6320 0.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1650 1.5170 2.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6530 0.9510 0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5770 2.9890 -1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2200 3.6410 -0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1870 6.0160 0.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5970 7.7550 1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7110 7.5420 -0.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7890 9.7590 0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7610 8.8640 -1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4310 8.8900 2.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4570 9.8340 0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5080 7.8740 -0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4170 7.6590 1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6990 5.8620 1.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9270 -0.8010 1.3010 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3420 -0.1010 0.8230 H 0 0 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 33 1 0 0 0 0 2 34 1 0 0 0 0 2 57 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 3 57 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 5 57 1 0 0 0 0 6 7 1 0 0 0 0 6 42 1 0 0 0 0 6 43 1 0 0 0 0 7 8 1 0 0 0 0 7 44 1 0 0 0 0 8 9 1 0 0 0 0 8 29 2 0 0 0 0 9 10 2 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 56 1 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 57 1 M END