IBS-ZINC02237961 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 1 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 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1650 -0.0790 -1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0950 -0.9290 -0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4170 -0.5470 -0.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7620 0.6890 -1.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0240 1.4300 -1.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6860 2.6220 -1.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7140 3.5330 -2.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9530 3.2280 -1.8290 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2250 2.0910 -1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2910 1.2040 -0.9410 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4440 4.7320 -2.8430 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5300 5.6750 -3.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9660 6.9070 -3.8310 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4240 6.5940 -4.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1150 7.8340 -4.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0780 7.6000 -2.9520 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3580 2.6260 -2.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7720 1.4980 -1.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5140 1.0760 -1.7280 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4950 -1.4050 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8870 -2.4730 0.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7810 -3.1980 0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6130 -2.2320 -0.0420 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 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -1.6240 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 -1.5840 -1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 -0.0640 -2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2460 1.8810 -0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5360 4.9450 -3.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9960 5.9780 -2.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2740 5.1960 -3.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6580 8.1470 -3.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7930 7.3060 -4.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7140 8.7120 -4.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6830 8.3940 -3.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0560 -1.8900 -0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1700 -0.7790 0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6570 -3.1870 1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4640 -2.0020 1.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1610 -3.5120 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4470 -4.0680 0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1380 -2.0450 0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8860 -2.6790 -0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 23 2 0 0 0 0 6 7 2 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 22 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 M END