IBS-ZINC02108653 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 60 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 -3.4280 -2.9540 -0.3180 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9420 -2.9730 0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8630 -3.3900 -0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5120 -3.2410 1.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8290 -3.6410 1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4970 -4.1890 0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8480 -4.3370 -1.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5330 -3.9330 -1.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7480 -3.8420 -1.2070 O 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 -3.9000 -0.8550 -0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8670 -1.5130 -1.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9900 -2.8120 1.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3360 -3.5250 2.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5250 -4.5020 0.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3700 -4.7660 -1.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0270 -4.0450 -2.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1270 -3.8760 -2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 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 37 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 38 1 0 0 0 0 9 10 1 0 0 0 0 9 39 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 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 16 46 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 47 1 0 0 0 0 20 48 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 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 33 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 30 31 2 0 0 0 0 30 53 1 0 0 0 0 31 32 1 0 0 0 0 31 54 1 0 0 0 0 32 55 1 0 0 0 0 33 56 1 0 0 0 0 M END