IBS-ZINC02150374 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 72 0 0 1 0 0 0 0 0999 V2000 -0.2530 1.6590 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 0.1580 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4450 -0.4200 1.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4590 -1.7970 1.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 -2.5950 0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 -2.0160 -0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 -0.6400 -1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3100 -4.3490 0.4750 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4030 -4.8610 -0.6420 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -4.6320 1.8210 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8800 -4.8440 0.2940 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5640 -4.6590 -0.9880 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8260 -4.6150 -1.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3500 -3.3740 -0.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3840 -2.5580 -2.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1050 -1.3790 -2.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7930 -1.0160 -0.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7600 -1.8330 0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0420 -3.0140 0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5000 -5.8150 -1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5870 -6.7030 -0.4150 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2360 -5.8590 -2.3520 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9930 -6.9700 -2.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3250 -6.9800 -2.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0970 -8.0900 -2.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5480 -9.2210 -2.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3570 -10.4320 -3.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7470 -11.5150 -3.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3990 -11.4260 -4.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8690 -12.3850 -4.6860 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6760 -10.3140 -3.9430 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2040 -9.2190 -3.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4340 -8.0820 -3.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9940 -8.0580 -3.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7740 -10.4880 -2.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1760 -11.3740 -1.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4980 -11.4230 -1.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4320 -10.5930 -1.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0360 -9.7110 -2.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7150 -9.6510 -3.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7340 -10.6440 -1.5900 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.6400 -9.7640 -2.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7680 2.0240 0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6310 1.9370 -1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 2.1000 0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 0.2030 2.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5970 -2.2490 2.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 -2.6400 -1.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -0.1880 -2.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3470 -5.2560 1.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8460 -2.8400 -2.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1310 -0.7400 -2.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3560 -0.0950 -0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2980 -1.5500 1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0200 -3.6540 1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7500 -6.1050 -1.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1300 -8.0930 -2.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3050 -12.4230 -3.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3590 -8.4120 -2.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8680 -8.7070 -4.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7110 -7.0400 -3.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4510 -12.0200 -1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8090 -12.1080 -0.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7640 -9.0670 -3.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4070 -8.9620 -4.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6440 -9.9060 -1.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3280 -8.7320 -2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6390 -9.9820 -3.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 46 1 0 0 0 0 4 5 1 0 0 0 0 4 47 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 48 1 0 0 0 0 7 49 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 50 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 51 1 0 0 0 0 16 17 1 0 0 0 0 16 52 1 0 0 0 0 17 18 2 0 0 0 0 17 53 1 0 0 0 0 18 19 1 0 0 0 0 18 54 1 0 0 0 0 19 55 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 33 2 0 0 0 0 24 25 2 0 0 0 0 24 56 1 0 0 0 0 25 26 1 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 26 32 2 0 0 0 0 27 28 2 0 0 0 0 27 35 1 0 0 0 0 28 29 1 0 0 0 0 28 58 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 35 36 1 0 0 0 0 35 40 2 0 0 0 0 36 37 2 0 0 0 0 36 62 1 0 0 0 0 37 38 1 0 0 0 0 37 63 1 0 0 0 0 38 39 2 0 0 0 0 38 41 1 0 0 0 0 39 40 1 0 0 0 0 39 64 1 0 0 0 0 40 65 1 0 0 0 0 41 42 1 0 0 0 0 42 66 1 0 0 0 0 42 67 1 0 0 0 0 42 68 1 0 0 0 0 M END