IBS-ZINC05047043 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 60 0 0 0 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 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 -0.4650 -1.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0800 -0.6400 -1.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6880 -1.1340 -2.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1970 -1.3210 -2.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7790 -1.7940 -3.4070 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2560 -0.9830 -4.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7420 -1.7400 -5.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5430 -3.1510 -5.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9250 -3.1210 -3.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6280 -4.2530 -3.1530 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8960 -5.4190 -3.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5820 -6.6340 -3.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8580 -7.8140 -3.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4490 -7.8400 -5.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7670 -6.6860 -5.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4970 -5.4460 -5.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7980 -4.3040 -5.6690 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3150 -1.2500 -6.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5150 -1.0560 -6.7170 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5300 -0.9980 -7.7190 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1750 -0.5050 -8.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1480 -0.2830 -9.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5170 0.9410 -10.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 1.1440 -11.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2640 0.1230 -11.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8960 -1.1010 -11.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8410 -1.3030 -10.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2580 0.3860 -4.3420 N 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 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -1.6240 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5340 0.3110 -0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2660 -1.3740 -0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2330 -2.0840 -2.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5020 -0.4000 -3.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6520 -0.3700 -1.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3820 -2.0550 -1.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1240 -6.6300 -2.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6150 -8.7430 -3.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6580 -8.7890 -5.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2250 -6.7220 -6.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6730 0.4380 -8.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9110 -1.2320 -9.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7600 1.7390 -9.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0810 2.1010 -11.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5270 0.2820 -12.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6530 -1.8990 -12.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3370 -2.2580 -10.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 0.8450 -3.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6160 0.8980 -5.0840 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 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 6 41 1 0 0 0 0 6 42 1 0 0 0 0 7 8 1 0 0 0 0 7 43 1 0 0 0 0 7 44 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 2 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 20 2 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 17 18 2 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 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 30 2 0 0 0 0 26 27 2 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 28 29 2 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 30 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 M END