IBS-ZINC04992029 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 -1.5950 1.0320 0.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0540 -0.3780 0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 -0.8210 1.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2630 -2.3030 1.5530 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0390 -2.5890 0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5950 -4.0180 0.1790 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7740 -4.7360 0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8300 -4.0400 2.7390 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7110 -3.9220 3.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 -2.6360 2.7800 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9910 -1.9160 2.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4690 -2.3990 4.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0690 -5.2250 3.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 -5.8030 2.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 -6.8980 3.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2320 -7.4370 4.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8870 -6.8810 5.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5300 -5.7880 4.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2110 -5.6060 1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2940 -4.2440 -1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8550 -5.2790 -2.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4900 -5.5240 -3.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5710 -4.7400 -3.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0180 -3.7090 -2.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3860 -3.4610 -1.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8900 -3.1380 1.5450 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7790 1.7510 0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1830 1.3340 -0.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2420 1.0880 1.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8940 -1.0650 0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -0.3910 -0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 -0.1590 1.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8270 -0.6620 2.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3770 -2.4550 -0.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8480 -1.8540 0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4560 -2.9760 4.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1330 -2.6760 4.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 -1.3430 4.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4810 -5.4250 1.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5830 -7.3280 2.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7350 -8.2870 4.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2610 -7.2970 6.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 -5.3790 5.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9170 -5.5860 0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4730 -6.4010 1.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7730 -5.7360 2.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0120 -5.9080 -1.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1390 -6.3270 -3.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0640 -4.9310 -4.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8610 -3.0970 -3.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7630 -2.6480 -0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5340 -2.7950 2.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4960 -4.2710 1.3780 N 0 3 0 0 0 0 0 0 0 0 0 0 3.2440 -3.5710 1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 6 53 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 53 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 19 53 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 23 24 2 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END