IBS-ZINC05026785 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 -0.1050 1.0470 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 1.5850 -1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1160 1.7180 -1.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7840 2.0900 -2.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1400 2.2910 -3.5620 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1280 2.2020 -2.5490 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8490 1.9830 -1.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0570 2.1000 -1.5080 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3090 1.6420 -0.2620 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9770 1.4880 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4990 1.1730 0.9580 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1860 1.4260 0.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6010 -0.0210 0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3910 -0.7260 2.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 1.9360 -2.2620 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4720 1.6850 -2.2270 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8390 1.8170 -1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1830 2.6700 -3.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0100 4.0720 -2.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0670 4.9520 -3.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 6.1230 -2.3130 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 6.9070 -2.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2980 6.0210 -1.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8340 4.7300 -1.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9420 4.3380 -0.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4980 5.2110 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9710 6.4840 0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8830 6.8940 -0.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7470 0.2750 -2.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8320 -0.4460 -3.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0090 -0.1790 -2.7320 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 -1.5480 -3.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5470 0.0820 0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9660 0.9260 -0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 1.7440 0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5830 2.4460 -3.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6520 1.6840 1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0710 2.0550 0.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0730 -0.4780 0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9200 -0.2680 2.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6890 -1.7630 2.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3720 2.3550 -3.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2450 2.4260 -3.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7540 2.6000 -4.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2990 4.7650 -3.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3570 3.3480 -0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3550 4.9070 0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4220 7.1630 0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4790 7.8870 -0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6700 -2.2260 -2.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -1.6560 -4.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2630 -1.7870 -3.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 2 0 0 0 0 2 15 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 36 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 12 1 0 0 0 0 10 11 2 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 29 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 23 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 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 49 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 50 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 M END