IBS-ZINC02111707 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 62 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7350 -0.4890 1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9800 -1.0140 1.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3410 -1.3540 2.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4920 -1.9170 3.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -2.1080 4.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 -1.7580 5.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 -1.1980 4.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 -0.9960 3.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2770 -0.4760 2.5200 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5910 -0.1470 2.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5810 -2.6520 5.0820 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5270 -2.8290 6.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7930 -1.1940 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2060 -0.3130 -1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -0.4610 -1.1760 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 -1.0160 -2.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -1.2360 -3.2160 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 -1.3840 -2.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 -1.1090 -1.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4040 -0.5060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0690 -0.3450 1.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3810 -1.5320 -0.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4780 -3.0620 -1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7040 -3.6080 -0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9670 -3.0490 -1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2570 -1.6860 -0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6440 -0.5530 -1.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2180 -0.8750 -1.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3430 -2.1900 2.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4400 -1.9290 6.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4070 -0.9300 5.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6970 -3.4890 6.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4610 -3.2710 6.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3820 -1.8620 6.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8260 -0.9020 0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7600 -2.2380 -0.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4680 0.7290 -0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6050 -0.6260 -2.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7920 -0.8160 -3.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3960 -2.4470 -2.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7510 -1.2530 0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4430 -3.2980 -2.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6250 -3.5280 -0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6920 -4.6920 -0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7440 -3.3650 0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7950 -2.9700 -2.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8110 -3.7120 -0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3370 -1.5470 -0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8520 -1.6320 0.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2810 -0.3770 -2.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6130 0.3560 -0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7340 0.0510 -2.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2820 -1.5410 -2.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 17 1 0 0 0 0 2 22 1 0 0 0 0 3 4 2 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 8 9 2 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 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 16 43 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 23 2 0 0 0 0 24 25 1 0 0 0 0 24 30 1 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 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 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 28 54 1 0 0 0 0 29 30 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 M END