IBS-ZINC04906410 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 0.5020 2.6760 0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 1.3870 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8700 0.3170 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2340 0.5360 -0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7310 1.8230 -0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8660 2.8940 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2180 2.0610 -0.1780 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7540 1.1750 0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6210 2.3990 -1.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1790 3.6800 -1.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1380 4.1540 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5450 5.2320 0.2450 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5820 3.2160 0.6490 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3740 3.3290 2.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6030 2.7910 2.8300 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8280 1.7770 2.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3700 2.8200 4.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7480 3.2080 4.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 3.3680 3.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7380 3.6560 2.6110 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6240 4.3010 -2.4960 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4670 1.5990 -2.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9120 0.3720 -2.6030 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8920 2.0680 -3.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7470 1.4080 -4.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 2.0930 -5.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3580 3.2700 -6.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4040 3.5840 -4.7280 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1610 -0.6100 -0.3050 N 0 3 0 0 0 0 0 0 0 0 0 0 2.7350 -1.7500 -0.2390 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3490 -0.4140 -0.4840 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.1740 3.5120 0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0610 1.2170 0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4810 -0.6890 -0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2550 3.9000 0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2210 4.3750 2.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4960 2.7500 2.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6220 3.5690 4.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0680 1.8370 4.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6810 4.1490 5.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1260 2.4170 5.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3470 4.1940 3.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1910 2.4420 3.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8480 -0.1110 -3.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1860 0.4480 -4.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6400 1.7100 -6.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4400 3.9310 -6.9570 H 0 0 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 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 9 10 1 0 0 0 0 9 22 2 0 0 0 0 10 11 1 0 0 0 0 10 21 2 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 27 2 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 M CHG 1 29 1 M CHG 1 31 -1 M END