IBS-ZINC02245058 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6730 -0.5820 1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 -2.1080 1.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3510 -2.7270 2.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3120 -4.1880 2.1030 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8870 -4.9490 3.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4390 -4.4230 4.0050 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8480 -6.4060 2.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 -7.3010 3.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 -8.6540 3.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 -9.6830 3.4570 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6410 -9.4870 4.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4410 -10.5830 4.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5900 -10.3760 5.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9930 -9.0880 5.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2460 -8.0040 5.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 -8.1790 4.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3080 -7.1200 4.1580 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 -8.5270 2.4190 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 -7.2190 2.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9100 -6.7670 1.6810 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1870 -9.6480 1.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7280 -9.9230 0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3390 -9.2830 -0.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9200 -9.5350 -1.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8880 -10.4280 -2.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2760 -11.0680 -1.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7010 -10.8190 0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4770 -10.6750 -3.3910 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7100 -0.2470 1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 -0.2720 2.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4040 -2.4430 0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 -2.4180 0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3880 -2.3910 2.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 -2.4170 3.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8730 -4.6060 1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1430 -11.5870 4.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2000 -11.2200 5.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9100 -8.9500 6.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5710 -7.0130 5.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1020 -5.8160 1.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5160 -7.3970 1.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2470 -9.3960 1.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0270 -10.5340 2.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1440 -8.5860 -0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3970 -9.0350 -2.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4710 -11.7660 -1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2270 -11.3210 1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 40 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 21 2 0 0 0 0 10 11 1 0 0 0 0 10 19 2 0 0 0 0 11 12 2 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 28 2 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 M END