IBS-ZINC05423237 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 61 0 0 0 0 0 0 0 0999 V2000 0.3410 -0.1460 2.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 -0.8610 0.8090 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0950 -1.0640 0.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2480 -0.6510 1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5160 -0.9160 0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8470 -0.6460 0.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7110 -1.1960 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9300 -1.7110 -1.0400 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2860 -2.1290 -1.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5950 -1.5820 -0.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4640 -1.9980 -1.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2050 -1.7300 -0.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 -2.0930 -1.4810 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0650 -2.5900 -2.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1540 -1.1810 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7780 -0.1340 0.1380 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8110 -2.4050 -0.1850 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.2590 -2.4100 -0.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9820 -3.2620 0.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8850 -4.6160 0.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1870 -3.7330 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1300 -5.5800 1.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7590 -7.0330 1.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1570 -7.7350 2.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7780 -9.0750 2.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0030 -9.6830 1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5910 -9.0110 0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9920 -7.6970 0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7110 -9.7810 -0.9850 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1370 -11.0210 -0.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6870 -10.9660 0.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4140 -0.0580 2.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0650 0.8680 1.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 -0.6900 2.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 -0.1330 1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1470 -0.1270 1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5820 -2.5130 -2.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5390 -1.8720 -3.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9650 -2.7370 -3.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5670 -3.5630 -2.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6700 -1.3950 -0.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4270 -2.8220 -1.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8660 -2.8490 1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0430 -3.3600 0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4970 -5.6370 0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7570 -4.2180 1.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2620 -4.1840 -1.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1300 -3.6730 0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1990 -5.4630 1.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9390 -5.2120 2.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9770 -7.2410 3.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3180 -9.6190 3.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4690 -7.2120 -0.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8900 -11.8120 -0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2830 -11.2730 -1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3830 -4.6640 0.6560 N 0 3 0 0 0 0 0 0 0 0 0 0 -9.5080 -5.0560 -0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 12 2 0 0 0 0 4 5 2 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 2 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 56 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 20 56 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 22 56 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 26 27 2 0 0 0 0 26 31 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 56 57 1 0 0 0 0 M CHG 1 56 1 M END