IBS-ZINC01808367 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 -1.2900 1.8730 0.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8080 0.4660 1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1510 -0.3760 -1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8060 -0.7570 -2.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3190 -1.9140 0.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6960 -2.1370 1.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8840 -3.5110 1.4940 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7510 -3.9370 2.8810 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4980 -3.3880 3.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1720 -5.3840 2.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4000 -5.7480 1.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2130 -4.5510 0.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3430 -4.5500 -0.5520 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7510 -6.9590 1.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2640 -6.1820 4.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8780 -5.7260 5.0730 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8130 -7.5470 3.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0170 -8.5820 4.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5260 -9.8780 4.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8270 -10.1240 4.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6310 -9.0960 3.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1260 -7.7950 3.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3190 -11.3700 4.1950 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3490 -3.6990 3.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2440 -4.4620 2.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0350 -4.1910 3.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2310 -3.1540 4.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1490 -2.3830 4.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1220 -2.6580 4.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1440 -1.8800 4.6960 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.0690 2.5360 1.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8020 2.2900 -0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3720 1.8910 0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 0.4200 1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 0.1040 1.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6990 -1.0210 -0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 0.6590 -1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6620 -0.1090 -2.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 -0.6460 -3.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1540 -1.7930 -2.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 -2.1180 1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2070 -2.5730 -0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8740 -1.4710 1.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4680 -1.9290 0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8420 -6.8360 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0070 -8.3790 4.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9210 -10.6930 4.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6460 -9.3120 3.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7620 -6.9930 3.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3630 -5.2780 2.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8800 -4.7950 3.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2260 -2.9510 4.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 -1.5720 5.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1590 -0.4740 -0.0710 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.0660 -0.1700 -0.4520 H 0 0 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 34 1 0 0 0 0 2 35 1 0 0 0 0 2 54 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 54 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 5 54 1 0 0 0 0 6 7 1 0 0 0 0 6 43 1 0 0 0 0 6 44 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 2 0 0 0 0 14 45 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 22 49 1 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 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 27 28 2 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END