IBS-ZINC05387691 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 60 0 0 0 0 0 0 0 0999 V2000 0.0050 1.4870 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 0.0890 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2150 -0.6250 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4210 0.0910 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3850 1.4830 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 2.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7040 1.8550 -0.0470 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0690 2.7990 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4640 0.7150 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7180 -0.3700 -0.0700 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9040 0.6730 -0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7920 1.7670 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0780 1.2520 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2130 1.9720 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9830 3.2940 0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0770 4.1470 0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9180 5.5290 0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6410 6.0710 0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5330 5.2280 0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6750 3.8510 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5610 3.1010 0.0450 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9840 -0.1150 -0.1370 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6610 -0.4840 -0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2580 -1.7660 -0.1990 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1420 -0.9900 -0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6270 -1.2600 1.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0780 -2.7190 2.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2860 -3.6540 2.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4470 -2.9770 2.1820 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2630 -2.5210 0.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1040 -1.5280 0.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9450 2.0170 0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 -0.4520 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 -1.7100 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1950 3.3040 0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0800 3.7280 0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7880 6.1770 0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5020 7.1470 0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5350 5.6610 0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2490 -1.9450 -0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8370 -2.5930 -0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8730 -1.9170 -0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9060 -0.4970 -0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9110 -0.3430 1.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8370 -1.7580 1.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1750 -3.2490 3.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2550 -1.8480 3.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5030 -3.9940 3.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0970 -4.5420 2.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1910 -2.0350 0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1000 -3.3840 0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2860 -0.6470 1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9310 -1.2330 -0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8300 -2.1850 1.2740 N 0 3 0 0 0 0 0 0 0 0 0 0 10.6250 -3.0000 0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 23 2 0 0 0 0 12 13 1 0 0 0 0 12 21 2 0 0 0 0 13 14 2 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END