IBS-ZINC02091882 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 -0.2530 1.6590 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 0.1580 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4450 -0.4200 1.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4590 -1.7970 1.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 -2.5950 0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1170 -2.0160 -0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 -0.6400 -1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3100 -4.3490 0.4750 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4030 -4.8610 -0.6420 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -4.6320 1.8210 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8800 -4.8440 0.2940 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5640 -4.6590 -0.9880 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8260 -4.6150 -1.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3620 -3.3540 -0.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5000 -5.8150 -1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5870 -6.7030 -0.4150 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2360 -5.8590 -2.3520 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9930 -6.9700 -2.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3260 -6.9790 -2.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0990 -8.0880 -2.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5490 -9.2220 -2.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3550 -10.4250 -3.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7640 -11.4940 -3.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4100 -11.4200 -4.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8930 -12.3850 -4.6800 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6770 -10.3140 -3.9420 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2040 -9.2180 -3.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4340 -8.0810 -3.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9930 -8.0580 -3.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8000 -10.4770 -2.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7680 2.0240 0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6300 1.9370 -1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 2.1000 0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 0.2030 2.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5970 -2.2480 2.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 -2.6400 -1.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -0.1880 -2.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3470 -5.2560 1.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1000 -3.3990 -0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6850 -2.5180 -0.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8700 -3.2170 -1.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7500 -6.1040 -1.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1310 -8.0890 -2.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3300 -12.3960 -3.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3590 -8.4110 -2.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8680 -8.7060 -4.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7110 -7.0390 -3.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4320 -10.1320 -3.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0660 -11.5020 -2.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9470 -9.8340 -1.8700 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 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 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 18 19 1 0 0 0 0 18 28 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 1 0 0 0 0 21 27 2 0 0 0 0 22 23 2 0 0 0 0 22 30 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 M END