IBS-ZINC02131404 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9860 -0.1020 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 -2.0350 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8980 -2.7260 0.7530 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 -2.6090 -1.2070 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4800 -2.0560 -1.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8480 -4.0680 -1.3350 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7570 -4.4820 -0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 -4.4490 -2.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0330 -4.0020 -3.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1260 -4.7470 -3.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0670 -4.0030 -4.4000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9400 -4.3250 -4.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5910 -2.7290 -4.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2980 -2.6710 -4.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5650 -1.4850 -4.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1100 -0.3830 -4.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3860 -0.4340 -5.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1240 -1.5970 -5.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3530 -4.6220 -0.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1160 -3.8750 -0.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0820 -0.1620 1.2730 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5600 -0.5930 2.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0760 -0.3060 3.6080 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1910 0.4570 3.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7460 0.7660 4.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8800 1.5440 5.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4800 2.0280 3.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9510 1.7370 2.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8040 0.9510 2.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1910 0.6120 1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6660 1.0100 0.2050 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -3.9630 -3.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 -5.5310 -2.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2440 -5.7800 -3.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5710 -1.4370 -3.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5420 0.5340 -4.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8030 0.4440 -5.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1170 -1.6260 -5.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6700 -1.2050 2.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2890 0.3950 5.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3080 1.7820 5.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3680 2.6370 3.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4220 2.1160 1.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5740 -5.9460 -0.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3580 -6.2540 -0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 38 1 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 24 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 22 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 52 1 0 0 0 0 24 25 1 0 0 0 0 24 33 1 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 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 30 31 2 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 52 53 1 0 0 0 0 M END