CHEMBRIDGE-ZINC04725642 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 0 0 0 0 0 0999 V2000 -0.0210 0.7540 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4210 -0.5560 0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7870 -0.8200 0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7090 0.2370 0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2820 1.5720 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8980 1.8050 -0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2200 2.7600 -0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7420 3.0060 -1.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1160 2.6000 -2.5390 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9400 3.7010 -1.6940 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5260 3.8510 -3.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9430 3.2650 -3.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1540 3.7320 -0.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7300 4.3090 -0.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2250 3.3900 -2.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1780 4.1910 -1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7860 3.6070 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6530 4.3460 0.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8890 5.6590 0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3060 6.2340 -0.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4580 5.5300 -1.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6610 7.5360 -0.8230 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5350 7.7180 0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6890 6.5280 1.1120 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1260 -0.1100 0.2220 N 0 3 0 0 0 0 0 0 0 0 0 0 4.9350 0.4860 -0.5050 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4310 -0.9820 1.0470 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0870 0.9600 -0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 -1.3690 0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1160 -1.8490 0.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5170 2.8160 -0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7060 3.6730 0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0330 2.6000 0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9140 3.3660 -3.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5500 4.9230 -3.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9370 2.1850 -2.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 3.4790 -4.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7680 4.2690 0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1510 2.6600 -0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7680 5.3870 -0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2630 4.1890 0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5540 3.4430 -3.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2010 2.3350 -1.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5870 2.5680 0.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1260 3.9030 1.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0350 6.0190 -2.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5230 8.0250 -0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1300 8.5160 0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7990 3.9010 -1.9740 N 0 3 0 0 0 0 0 0 0 0 0 0 7.8370 4.9090 -2.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 12 49 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 13 49 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 15 49 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 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M CHG 1 49 1 M END