IBS-ZINC05206891 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5360 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 0.0060 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0250 -0.3680 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 -0.4870 -1.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1440 0.0160 -1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9850 -0.2950 -0.0360 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2790 0.5000 0.0030 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9850 0.0090 0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8880 0.5900 -1.4000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8400 1.1830 -2.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5740 0.6780 -2.2580 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1440 2.1690 -3.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1060 1.4770 -1.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4580 1.9920 -0.3340 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8030 1.6980 -2.5050 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8650 2.6010 -2.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5130 2.9040 -3.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5650 3.8020 -3.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9350 4.3690 -2.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2470 4.0230 -1.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2440 3.1670 -1.3700 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9950 1.8910 0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6140 2.3460 1.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3550 3.6200 2.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 4.4430 1.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8560 3.9850 0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1220 2.7120 -0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2180 5.6970 1.8990 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1640 -0.0040 1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6360 0.6070 2.1310 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7370 -0.5020 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9120 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8990 -0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8880 0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 -0.4060 -1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7100 -1.5770 -1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2260 -1.3580 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1510 2.5580 -3.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2010 -0.1050 -2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3840 2.5820 -3.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5660 1.2280 -3.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1990 2.4440 -4.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0870 4.0560 -4.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7520 5.0740 -2.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5310 4.4610 -0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2990 1.7040 2.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8380 3.9740 3.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1700 4.6240 -0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6440 2.3560 -1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8140 6.3730 1.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2450 -0.1260 2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 -1.5920 1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 31 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 11 2 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 12 38 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 41 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 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 M END