IBS-ZINC04089072 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3840 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 1.1960 -0.6900 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 0.0120 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3720 1.4190 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 2.0940 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7730 1.8480 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5240 0.7360 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7190 -0.3710 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0340 -1.2890 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 3.2690 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3400 3.7850 1.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8420 5.2060 1.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1210 5.7520 0.3730 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9810 5.8700 2.5840 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4690 7.2510 2.5860 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2060 7.3770 1.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1160 7.5610 3.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3430 6.7040 4.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4080 5.5260 4.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6880 5.0420 4.7130 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9800 4.2050 5.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4970 5.9190 4.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6890 6.9960 3.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2470 8.0470 2.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5760 8.0230 2.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3760 6.9610 2.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8480 5.9170 3.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3150 8.1920 2.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1990 7.7540 2.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 1.9070 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -0.5510 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -1.7700 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 3.1740 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6040 0.7170 -0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2700 3.3030 -0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5970 3.8950 -0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3440 3.7510 1.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0170 3.1590 1.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7580 5.4330 3.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3990 8.6130 3.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4060 7.3500 4.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 5.0340 5.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6300 8.8760 2.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0070 8.8360 2.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4250 6.9560 2.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4790 5.0950 4.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5260 9.5170 2.3160 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7550 10.0800 2.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 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 40 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 29 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 29 30 2 0 0 0 0 29 48 1 0 0 0 0 48 49 1 0 0 0 0 M END