IBS-ZINC04086675 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 55 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 0.6260 -0.6190 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 0.1530 2.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8470 -0.4170 3.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8960 -1.7910 3.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3280 -2.5950 2.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 -2.0160 1.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 -2.7740 0.1100 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 -3.1230 -1.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5820 -3.9990 2.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 -4.9510 1.8760 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3560 -4.0770 3.5920 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4620 -2.7290 4.1970 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8950 -2.6790 5.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9350 -2.5010 4.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8540 -3.4900 4.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1390 -2.8850 4.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4330 -3.4090 4.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4390 -2.5300 5.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1950 -1.1860 5.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9250 -0.6410 5.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8840 -1.5110 4.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5410 -1.3160 4.7540 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0860 -0.4650 4.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5860 -4.9320 4.0130 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1360 -5.5780 4.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0850 -5.2340 4.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0440 -5.1960 2.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9720 -6.0870 2.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2280 -6.1540 0.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5080 -5.3180 0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4310 -4.3820 1.1680 S 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 1.1430 1.2290 1.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2920 0.1940 3.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3480 -3.7280 -1.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 -2.2150 -1.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7840 -3.6920 -0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6310 -4.4560 4.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4520 -2.8980 5.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0260 -0.5400 5.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7490 0.4080 5.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8150 -5.3940 5.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8440 -6.1220 3.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4840 -6.7080 2.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9550 -6.8320 0.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5740 -5.2320 -0.9350 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 14 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 24 1 0 0 0 0 17 18 1 0 0 0 0 17 26 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 29 30 2 0 0 0 0 29 33 1 0 0 0 0 30 31 1 0 0 0 0 30 48 1 0 0 0 0 31 32 2 0 0 0 0 31 49 1 0 0 0 0 32 33 1 0 0 0 0 32 50 1 0 0 0 0 M END