IBS-ZINC04785718 MOE2007 3D CORINA 3.40 0006 02.08.2006 70 72 0 0 1 0 0 0 0 0999 V2000 1.6590 1.5100 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7550 0.0420 0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0190 -0.8570 -0.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -0.3780 -1.9680 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9980 -2.2360 -0.6340 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2210 -3.1280 -1.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7240 -3.3770 -2.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1050 -4.2600 -3.2640 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2960 -5.5960 -3.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6230 -6.4910 -2.0160 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4300 -5.9820 -1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9770 -5.5790 -2.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6340 -4.6440 -3.2070 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8880 -5.1940 -4.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5820 -3.4350 -3.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5540 -7.7700 -0.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7870 -7.7700 -2.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8400 -3.5490 -4.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9560 -4.2550 -5.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7470 -3.6370 -7.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4270 -2.2870 -7.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3270 -1.5580 -5.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5400 -2.1780 -4.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 -2.8670 0.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3530 -3.3770 0.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1130 -4.3010 1.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1800 -4.7670 2.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2620 -4.3180 1.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0350 -3.3990 0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 -2.9260 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4730 -4.8450 1.7590 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6170 -4.3480 1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5910 1.8610 -0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 1.6760 -0.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4610 2.1220 0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 -0.0830 1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 -0.2590 0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6940 -4.0660 -1.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7550 -2.6840 -2.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2440 -2.4120 -2.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1110 -3.8390 -1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2200 -5.3870 -3.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4900 -6.1950 -4.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0150 -5.9210 -2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8560 -5.1050 -1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4780 -2.8730 -2.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6240 -3.7680 -3.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4130 -2.7500 -3.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0890 -8.7430 -1.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2600 -7.3550 -0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6400 -7.8820 -1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 -8.3950 -2.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8860 -8.3650 -1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7230 -7.5280 -2.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2310 -5.3060 -5.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8430 -4.2120 -7.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2650 -1.8030 -8.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0880 -0.4970 -5.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4690 -1.5390 -3.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4700 -3.7010 0.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9960 -2.1700 1.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9310 -4.6610 2.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3490 -5.4790 2.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8410 -3.0220 -0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6070 -2.1980 -0.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7300 -3.2690 1.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5770 -4.5990 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4990 -4.8370 1.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1090 -6.8190 -2.0600 N 0 3 0 0 0 0 0 0 0 0 0 0 5.2940 -7.2990 -2.9520 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 24 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 10 69 1 0 0 0 0 12 13 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 12 69 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 16 69 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 17 54 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 55 1 0 0 0 0 20 21 1 0 0 0 0 20 56 1 0 0 0 0 21 22 2 0 0 0 0 21 57 1 0 0 0 0 22 23 1 0 0 0 0 22 58 1 0 0 0 0 23 59 1 0 0 0 0 24 25 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 62 1 0 0 0 0 27 28 1 0 0 0 0 27 63 1 0 0 0 0 28 29 2 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 29 64 1 0 0 0 0 30 65 1 0 0 0 0 31 32 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 32 68 1 0 0 0 0 69 70 1 0 0 0 0 M CHG 1 69 1 M END