IBS-ZINC05252421 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -0.6180 1.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 0.1440 2.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8370 -0.4770 3.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8940 -1.8780 3.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3130 -2.6410 2.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 -2.0100 1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -2.7490 0.1100 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1870 -4.1700 0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5740 -2.4990 4.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0460 -3.7780 4.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6960 -4.3070 5.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8390 -3.5600 6.4680 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3730 -2.3130 6.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5270 -1.6540 7.5310 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7360 -1.7700 5.4650 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1990 -0.4060 5.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 0.3120 4.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1820 -5.5960 5.3570 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8590 -6.1440 6.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2970 -7.5820 6.2480 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9720 -7.5990 5.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0040 -8.1710 7.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 -9.4200 7.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4340 -9.7150 6.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1460 -8.4000 5.9790 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 1.2220 2.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3560 -3.7200 2.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2350 -4.4700 0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2960 -4.4880 1.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3100 -4.6380 -0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 -4.3710 3.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1230 -0.4460 5.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6790 0.1320 6.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5620 0.3640 4.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0690 1.3180 4.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0760 -6.1400 4.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7340 -5.5370 6.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -6.1360 7.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0270 -8.4570 7.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9940 -7.4550 8.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8060 -10.2530 8.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4480 -9.1940 8.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0850 -10.2640 5.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5110 -10.2670 6.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 13 14 2 0 0 0 0 13 20 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 27 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 M END