CHEMBRIDGE-ZINC04894164 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 55 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5340 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 1.4860 -0.4250 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 0.7920 0.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4530 1.9950 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6920 0.8150 0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4320 1.9520 0.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8690 1.9740 0.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2620 1.1600 -0.4280 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7170 2.8990 0.8730 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1140 2.9200 0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8540 4.0580 1.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2510 4.0790 0.6990 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0990 5.0040 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7050 5.8180 2.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5360 5.0260 0.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2760 6.1640 1.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7350 6.1860 0.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5340 7.2440 1.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5180 7.8840 0.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2820 7.1930 -0.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8320 6.6570 -0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 1.9060 -0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5160 1.8960 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4850 -0.3890 0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5020 -0.3790 -0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6390 -1.3090 0.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8190 -0.6100 -1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1690 0.7860 1.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7810 2.2010 -1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5820 2.8770 0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1650 -0.1350 0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7300 0.9700 -0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9580 2.9030 0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3930 1.7970 1.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4020 3.5500 1.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5870 1.9700 0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1530 3.0760 -0.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3800 5.0080 0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8150 3.9030 2.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5660 3.4280 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0090 4.0760 0.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5750 5.1810 -0.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8020 7.1140 1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2370 6.0080 2.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1860 5.2010 1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8580 8.0010 2.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0810 6.7680 2.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3200 8.9520 0.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5430 7.7190 1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3720 7.9120 -1.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9850 6.3710 -0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6850 5.8210 -1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1130 7.4520 -0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 29 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 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 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 M END