IBS-ZINC04029345 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 0.8930 1.9030 -1.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 0.4870 -2.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 -0.5160 -1.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 -0.1370 -0.2130 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -1.8330 -1.5060 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -2.8230 -0.6260 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6010 -3.4440 -1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 -3.7040 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1460 -4.1130 -1.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1080 -5.1960 -1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4230 -6.1560 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4150 -7.0510 -0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0800 -7.0160 -1.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7890 -6.0770 -2.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7860 -5.1550 -2.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2580 -4.1190 -2.9940 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5360 -3.8590 -3.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2780 -3.5030 -2.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4370 -2.3190 -2.6960 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0800 -1.5310 -3.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -2.7470 -3.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6850 -3.8860 -4.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2240 -4.2800 -5.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3690 -3.5300 -5.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6050 -2.3910 -4.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6980 -2.0000 -3.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 -0.8820 -3.2330 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1350 -0.1620 -3.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -5.4000 -6.2020 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9700 -5.7470 -7.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6890 -2.1130 0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1220 -1.7490 1.4620 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1890 2.0280 -1.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 2.0610 -0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3120 2.6280 -2.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7940 0.3290 -3.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3040 0.3620 -2.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6860 -3.1420 0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7080 -4.5920 0.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9110 -6.1910 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6860 -7.8070 0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8530 -7.7460 -1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3160 -6.0600 -3.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5770 -4.4690 -4.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0770 -3.8360 -6.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4970 -1.8070 -5.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1280 0.1690 -4.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9950 -0.8100 -3.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 0.7060 -2.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6630 -6.6590 -7.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9310 -5.9090 -6.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0610 -4.9370 -7.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0030 -1.8840 0.3100 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4530 -1.4240 1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 31 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 18 2 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 13 14 2 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 29 1 0 0 0 0 24 25 2 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 31 32 2 0 0 0 0 31 53 1 0 0 0 0 53 54 1 0 0 0 0 M END