IBS-ZINC02110562 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 0.2250 0.5050 1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3540 1.8130 3.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1100 3.0480 3.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5930 2.8580 3.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4670 3.5190 4.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8170 3.2870 4.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3270 2.4270 3.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4960 1.7620 2.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1010 2.0190 2.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1560 1.3740 1.4420 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3110 0.2890 1.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4360 1.8740 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9980 3.3140 -0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 3.6710 0.3030 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9020 4.2280 -0.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3730 5.6590 -1.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2860 6.5690 -1.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3440 7.2340 -1.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1950 8.0670 -1.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9940 8.2330 -3.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9540 7.5770 -3.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1020 6.7440 -3.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8480 9.0570 -3.9340 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5800 9.0800 -4.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8770 0.8550 1.4430 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2510 0.4920 1.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6850 2.3530 3.3700 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9640 3.2580 4.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7780 3.8500 5.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 -0.4420 1.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2670 0.7850 1.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 0.4440 0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 1.9710 3.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6420 0.9080 3.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8740 3.2200 4.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 3.9370 3.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1020 4.1850 5.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8890 1.2760 -0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4930 1.7960 -0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9830 3.8190 -1.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8960 4.2060 -0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2540 6.0510 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3680 5.6820 -1.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 7.1110 -0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0110 8.5860 -1.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7890 7.7010 -4.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2910 6.2340 -3.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3500 -0.2700 0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5940 0.0440 2.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8690 1.3450 1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6200 4.0560 4.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4880 2.7080 5.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6510 1.5770 1.7370 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3970 2.4730 1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 53 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 53 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 53 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 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 22 2 0 0 0 0 18 19 2 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END