IBS-ZINC02104420 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 -0.6180 1.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 -2.0060 1.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3110 -2.6320 2.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8970 -1.8700 3.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8400 -0.4750 3.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 0.1440 2.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5740 -2.5370 4.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6230 -3.7510 4.3360 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1390 -1.8000 5.2650 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7740 -2.4260 6.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8140 -3.7510 6.3520 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4120 -4.3870 7.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0040 -3.6320 8.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9390 -2.2360 8.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3270 -1.6790 7.2690 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5440 -1.3700 9.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6350 -2.1170 10.1310 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4680 -2.3280 9.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0700 -3.4350 10.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6900 -4.2920 9.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9410 -5.4780 9.4570 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1180 -1.2660 11.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2330 -0.8700 12.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6710 -0.0900 13.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 0.2960 13.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8910 -0.1030 12.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4460 -0.8900 11.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1960 0.2730 12.4620 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0530 -0.1740 11.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4320 1.0630 14.4240 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4620 1.4360 15.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 -2.5930 0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3530 -3.7100 2.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2920 0.1180 3.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 1.2220 1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1010 -0.8320 5.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4440 -5.4660 7.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9740 -0.4810 8.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7640 -1.0660 10.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8270 -3.9450 11.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1890 -3.2360 11.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1970 -1.1690 12.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9770 0.2190 14.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1370 -1.2050 10.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0640 0.1960 11.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0640 -1.2630 11.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6860 0.2060 10.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9370 2.0450 16.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6650 2.0080 14.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0420 0.5390 15.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 8 40 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 41 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 15 16 2 0 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 16 18 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 1 0 0 0 0 19 21 1 0 0 0 0 19 24 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 27 32 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 29 49 1 0 0 0 0 30 31 1 0 0 0 0 31 50 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 33 1 0 0 0 0 33 53 1 0 0 0 0 33 54 1 0 0 0 0 33 55 1 0 0 0 0 M END