IBS-ZINC05049231 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 -0.5440 1.9980 -1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7320 1.3080 1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0400 3.6340 0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9480 3.9150 1.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7660 5.3670 2.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7240 5.6730 3.2120 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4600 5.6100 4.6540 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6620 6.3040 4.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7470 6.0120 5.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6430 6.2740 4.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9990 6.0660 3.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5420 6.2240 1.9660 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9230 6.6680 4.5490 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9800 6.1020 6.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7590 5.3380 7.3190 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2680 7.1190 7.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4140 8.0320 6.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7520 8.9800 7.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9290 9.0300 9.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7750 8.1260 9.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4500 7.1740 8.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9440 8.1790 11.0580 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2210 9.1900 11.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0780 4.2070 5.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8220 3.9630 5.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4810 2.6680 5.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 1.6640 5.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6570 1.9850 5.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9490 3.2280 4.9010 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 0.9580 -1.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5220 2.2020 -1.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 2.6530 -1.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3410 1.4390 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9370 0.2840 0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2450 1.5100 2.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3030 4.3020 -0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.8000 0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9870 3.7500 1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6840 3.2470 2.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7520 5.5090 2.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9400 6.0320 1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4180 6.8090 3.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2730 7.9960 5.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0920 9.6860 7.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4070 9.7740 9.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1130 6.4740 9.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5140 10.1720 11.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4460 9.1210 12.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1520 9.0460 11.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 4.7690 5.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4930 2.4480 6.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 0.6450 6.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3950 1.2080 5.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2140 2.2400 0.0700 N 0 0 0 0 0 0 0 0 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 1 54 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 54 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 54 1 0 0 0 0 4 5 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 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 13 42 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 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 20 2 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 23 47 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 29 2 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 27 28 2 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 M END