IBS-ZINC05426887 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 1 0 0 0 0 0999 V2000 -0.4550 1.5020 -0.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4890 -0.0270 -0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4220 -0.5610 0.5240 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -0.3530 1.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8260 0.1090 2.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 -0.7240 2.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7510 -0.0290 3.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0170 -0.6430 4.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7010 0.0420 5.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8610 -0.4780 5.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3460 -1.6920 5.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6720 -2.3780 4.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5010 -1.8550 3.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8770 -2.5900 2.5680 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4670 -2.2360 2.3850 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8990 -2.5320 3.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 -2.9410 1.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3570 -3.4620 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 -4.1090 0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 -4.2360 -1.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2060 -3.7160 -1.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7070 -3.0720 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0320 -4.0330 2.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5840 0.2620 6.6240 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.1560 1.3300 7.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6080 -0.1980 7.0980 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.2720 -0.2820 1.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3410 0.2360 1.2930 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8390 -0.4920 -0.1960 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 -0.5110 -1.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5570 1.8490 -0.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 1.9000 -1.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7620 1.8460 0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9490 -0.1460 4.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 1.0310 3.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3240 0.9900 5.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2520 -2.1030 5.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0530 -3.3260 3.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 -3.3630 2.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8570 -4.5160 0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4650 -4.7400 -1.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8160 -3.8140 -1.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7080 -2.6690 0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0820 -4.3070 2.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4360 -4.5820 2.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6940 -4.2800 3.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -0.1640 -2.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 -1.6000 -1.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7450 -0.1130 -2.6170 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 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 15 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 11 12 2 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 15 16 1 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 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 30 49 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M END