IBS-ZINC03985028 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 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 0.7420 -0.5110 1.2420 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 -1.4160 -2.0350 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3600 -2.6230 -0.2130 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5740 -2.7240 -0.1330 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8500 -2.0130 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5580 -4.1830 -0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4950 -4.8070 1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6390 -5.1980 1.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5450 -5.8000 3.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6910 -6.2230 3.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5730 -6.7820 4.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3190 -6.9350 5.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1750 -6.5240 4.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2760 -5.9530 3.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1520 -5.5360 2.9660 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2490 -4.9880 1.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2340 -4.6340 1.1670 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2210 -7.4930 6.8030 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4390 -7.8970 7.4320 C 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 -0.2570 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 -0.1020 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2080 -1.7470 -1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5820 -2.6560 0.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7110 -1.1070 0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4630 -4.5130 -0.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6840 -4.4870 -0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5980 -5.0660 1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6660 -6.1060 3.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4570 -7.1070 5.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2070 -6.6460 5.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 -5.6420 3.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2180 -8.3260 8.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0890 -7.0310 7.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9380 -8.6420 6.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 21 22 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 M END