IBS-ZINC02128292 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3850 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 1.1940 -0.6930 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 0.0110 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4230 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1600 2.1010 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6640 2.1340 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7140 3.3500 -0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7900 1.3840 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7170 0.0270 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5960 -0.6280 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 2.0410 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5690 2.2620 1.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9370 2.9480 1.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4060 3.1690 2.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7740 3.8550 2.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2360 4.0730 4.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5400 3.7150 5.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4230 4.6660 4.4710 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3640 5.1480 3.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1970 6.2450 4.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3450 5.6510 5.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9910 4.9440 5.7980 C 0 0 3 0 0 0 0 0 0 0 0 0 11.3190 5.5930 6.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2040 3.6530 6.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9140 2.6010 6.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 1.9070 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -0.5500 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1960 -1.7730 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1390 3.1810 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6390 -0.5350 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8180 1.4110 -0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0210 3.0020 -0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 2.8920 1.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6480 1.3010 1.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6560 2.3180 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8580 3.9090 0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6870 3.7990 3.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4850 2.2080 3.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4930 3.2250 2.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6950 4.8160 2.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0100 4.3370 3.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8190 5.5720 2.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1700 6.3650 3.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6570 7.1910 4.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1670 4.9360 5.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4880 6.4430 6.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7180 3.6720 7.7860 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8360 2.8190 8.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 30 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 12 1 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 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 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 48 49 1 0 0 0 0 M END