IBS-ZINC04777169 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 0 0 0 0 0 0999 V2000 -0.5820 1.4230 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1970 -0.0340 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 -0.8630 1.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3340 -2.1210 0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 -2.0600 -0.6810 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -0.8120 -1.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 -0.3680 -2.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1820 0.8120 -2.7460 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -1.2660 -3.4900 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -2.7090 -3.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9570 -3.3960 -4.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 -3.0340 -5.4910 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9010 -1.5910 -5.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1470 -0.8300 -4.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5600 -3.7640 -6.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4950 -3.5630 -7.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3260 -4.2960 -8.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1990 -5.2080 -7.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2110 -5.3570 -6.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 -3.2890 1.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9520 -2.7690 2.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 -1.8160 3.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1490 -0.5870 2.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2580 0.5380 2.9970 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2880 -2.0260 2.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 -3.9530 3.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 2.0370 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1420 1.6550 -0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 1.6310 0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0820 -3.1100 -3.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 -2.8810 -2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8760 -4.4770 -3.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9520 -3.0710 -3.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 -1.3620 -6.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8970 -1.2910 -5.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 0.2400 -4.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1390 -1.0460 -5.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8040 -2.8440 -8.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2980 -4.1610 -9.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8620 -5.7960 -8.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8880 -6.0650 -6.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 -3.9310 1.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4600 -3.8580 1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1080 -2.3120 3.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -1.5200 4.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2140 -1.1880 2.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5320 -1.6540 3.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0710 -2.7060 2.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8580 -4.6220 3.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3070 -3.5870 4.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 -4.4920 3.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4020 -4.6480 -5.8210 N 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 6 2 0 0 0 0 3 4 2 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 52 2 0 0 0 0 16 17 2 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 19 52 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 2 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 M END