IBS-ZINC04548332 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 65 0 0 0 0 0 0 0 0999 V2000 -1.2280 0.8430 -0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0260 -0.6400 -0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7510 -1.2320 0.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5200 -2.6050 1.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5710 -3.3920 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8020 -2.8110 -1.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0340 -1.4380 -1.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2390 -5.1320 0.0130 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2830 -5.5490 -1.2730 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -5.3420 1.2240 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7820 -5.8060 0.2240 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6760 -6.0170 -0.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7860 -4.9790 -0.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5350 -4.9200 0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5500 -4.7390 1.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4420 -5.7800 1.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4070 -3.7180 1.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4100 -2.5520 1.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2020 -2.6160 0.4450 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4540 -2.5810 -0.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4570 -3.7440 -0.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5810 -2.7500 0.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3430 -1.9060 1.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7360 -1.9880 1.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4010 -2.9250 0.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6750 -3.7860 -0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2750 -3.7130 -0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4970 -4.5720 -1.0540 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1590 -5.5740 -1.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 1.3420 -0.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8970 1.0880 -1.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6870 1.2390 0.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7010 -0.6200 1.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2950 -3.0430 2.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7980 -3.4110 -2.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2080 -0.9890 -2.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1280 -5.9860 -1.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 -7.0250 -0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3750 -3.9920 -1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4670 -5.2510 -1.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1260 -5.8340 0.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1200 -3.7330 1.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0610 -4.8350 2.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8530 -6.7780 1.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7260 -5.5800 2.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7370 -3.5960 2.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9180 -4.6850 1.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0270 -2.6170 2.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8750 -1.5960 1.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0990 -2.5980 -1.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9040 -1.6330 -0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9480 -4.7210 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8190 -3.6160 -1.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8490 -1.1450 1.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2980 -1.3140 1.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4860 -2.9890 0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2360 -4.5100 -0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3920 -6.1560 -2.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7140 -6.2600 -1.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8090 -5.1280 -2.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5430 -3.7470 0.3960 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.0050 -2.8700 0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 61 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 17 61 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 21 61 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 54 1 0 0 0 0 24 25 1 0 0 0 0 24 55 1 0 0 0 0 25 26 2 0 0 0 0 25 56 1 0 0 0 0 26 27 1 0 0 0 0 26 57 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 61 62 1 0 0 0 0 M CHG 1 61 1 M END