IBS-ZINC05347646 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 51 0 0 1 0 0 0 0 0999 V2000 -0.2220 1.1950 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 -0.2630 0.1360 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0900 -0.8600 1.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1480 -2.3300 1.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -2.6630 2.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -1.5080 3.4850 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 -0.4260 2.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2820 1.0030 3.1100 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2550 1.3940 2.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1740 1.0030 4.5400 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0150 0.0440 5.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4830 -1.3700 4.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8120 1.8500 2.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1340 1.6390 2.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7890 2.6660 1.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8290 3.4430 1.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6340 2.9480 1.7600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -4.0280 3.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -4.9590 2.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8530 -6.2330 3.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 -6.5900 4.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 -5.6720 4.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 -4.3970 4.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1760 -8.1950 5.0630 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3920 -3.0650 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4510 -4.2800 0.2160 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -2.3610 -0.9220 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4970 -1.0230 -0.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6540 -0.4640 -2.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7950 -3.0860 -2.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5110 1.5970 0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 1.4620 -1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2040 1.6130 0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0290 0.1280 4.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0260 0.2370 6.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4460 -1.5200 5.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 -2.1050 5.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6040 0.8390 3.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8560 2.8000 1.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9920 4.3190 0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6620 -4.6810 2.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6050 -6.9530 3.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8830 -5.9560 5.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8510 -3.6830 4.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8680 -3.2170 -2.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3870 -2.5170 -3.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3130 -4.0620 -2.1250 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 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 7 2 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 28 29 2 0 0 0 0 30 45 1 0 0 0 0 30 46 1 0 0 0 0 30 47 1 0 0 0 0 M END