IBS-ZINC04023582 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 54 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 -2.0410 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5030 -2.5480 2.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5220 -3.9760 2.4650 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1450 -4.5900 3.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2000 -5.9780 3.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8310 -6.6040 4.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4180 -5.8420 5.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3600 -4.4470 5.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 -3.8280 4.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0950 -6.5090 6.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1430 -7.7230 6.7990 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6600 -5.7730 7.7280 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3320 -6.4350 8.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8820 -5.3790 9.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5740 -6.0600 10.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6220 -7.2710 11.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1390 -5.3240 11.9390 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8110 -5.9860 13.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3610 -4.9300 14.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0630 -5.6220 15.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6050 -4.5820 16.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4460 -3.4080 15.9000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 -2.4180 1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -2.3920 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -2.1700 2.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9930 -2.1960 3.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7460 -6.5660 2.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8730 -7.6820 4.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8120 -3.8550 6.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6910 -2.7500 4.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6210 -4.8050 7.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 -7.0700 9.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1530 -7.0450 8.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5940 -4.7440 9.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0620 -4.7690 10.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1000 -4.3560 11.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0990 -6.6210 13.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6320 -6.5960 12.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0730 -4.2950 13.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5400 -4.3200 14.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3510 -6.2570 15.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8840 -6.2320 14.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2640 -4.9590 17.2440 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5930 -4.2560 17.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 12 40 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 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 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 2 0 0 0 0 24 53 1 0 0 0 0 53 54 1 0 0 0 0 M END