IBS-ZINC04662511 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 1 0 0 0 0 0999 V2000 -5.3450 -0.5320 0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2910 -1.5960 0.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7090 -1.8500 -0.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7180 -2.8280 -0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2730 -3.5860 0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8670 -3.3250 1.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8630 -2.3420 1.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4460 -2.1190 2.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2470 -4.6060 -0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3810 -4.8270 1.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2260 -4.0360 2.0050 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4480 -6.0520 0.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 -6.6500 2.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -6.2500 3.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3280 -6.6210 4.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5110 -6.2140 5.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4540 -5.4270 6.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6170 -5.0820 5.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -5.4880 4.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3970 -4.9580 7.3970 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 -4.9230 8.0610 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7100 -4.8520 7.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0160 -6.1360 8.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9210 -3.6700 8.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -3.4970 9.7450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 -6.6870 -0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5330 -7.5590 -0.5030 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1310 -6.2400 -1.3000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1350 -5.3050 -1.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8690 -5.1930 -2.2050 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2740 -0.9590 0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0010 0.2670 1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5770 -0.0790 -0.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0150 -1.2800 -1.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2860 -2.9470 -1.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5770 -3.9040 2.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5180 -2.3450 2.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9760 -2.7630 3.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2910 -1.0830 3.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6120 -7.5420 1.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0950 -7.2270 3.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4110 -6.5300 6.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3730 -4.4750 5.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7060 -5.1870 3.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9340 -6.0850 9.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 -7.0610 8.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1650 -6.2240 9.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 -6.6740 -2.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9660 -2.9640 8.8350 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 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 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 49 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 29 30 2 0 0 0 0 M CHG 1 49 -1 M END