IBS-ZINC03985147 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 -0.6340 1.6340 0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2830 0.1880 -0.0760 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1530 0.1490 -1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6660 -0.4750 0.9480 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1870 -0.5600 1.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8830 -1.9150 0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0990 -2.2480 0.2450 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9650 0.1920 1.1070 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2280 1.2740 1.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3770 1.8250 2.6090 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7050 1.7060 1.8810 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9670 1.7340 0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6120 0.6360 2.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0780 1.0000 2.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7560 1.1960 3.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1090 1.5300 3.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7990 1.6700 2.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1380 1.4750 1.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7840 1.1380 1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 3.0800 2.4100 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8810 4.1110 1.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8340 3.9420 0.2480 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9970 5.4850 1.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0670 6.5720 1.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1730 7.8650 1.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2100 8.0670 2.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1390 6.9770 3.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0320 5.6860 3.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9480 4.5960 4.2050 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9630 4.7310 5.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8330 3.2940 3.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7480 2.4130 4.6430 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5310 -0.5310 -0.1290 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2610 -1.5000 -0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 2.2900 0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3940 2.0040 -0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0650 1.7210 1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7010 -0.2780 0.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2770 0.3880 3.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5120 -0.3110 1.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2270 1.0900 4.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6260 1.6780 4.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8540 1.9270 2.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6800 1.5800 0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2850 0.9790 0.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0370 6.4200 0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 8.7150 0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2910 9.0750 3.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1650 7.1510 4.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1880 -2.5310 0.0700 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 33 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 50 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 31 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 2 0 0 0 0 33 34 1 0 0 0 0 M CHG 1 50 -1 M END