IBS-ZINC04041733 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 0.3470 0.5890 0.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 1.4190 3.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8890 2.7220 1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1430 3.3200 1.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9780 4.7410 2.1530 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5510 5.7870 1.3040 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6380 5.6400 1.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1810 7.0700 2.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5820 8.3220 1.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5060 8.6710 0.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8860 8.5190 0.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7580 8.8670 -0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2590 9.3670 -1.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8840 9.5270 -1.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0130 9.1820 -0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2680 10.0020 -2.6740 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1080 10.4150 -3.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1550 9.3870 2.5420 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2790 6.7080 3.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6650 7.4280 3.9050 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2170 5.2160 3.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5890 4.5760 4.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0030 5.7140 -0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8710 5.7380 -1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3360 5.6940 -2.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 5.6240 -2.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 5.5930 -1.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6530 5.6240 -0.2590 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 -0.4010 1.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2820 1.1430 0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 0.4890 -0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9660 2.0250 3.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2870 0.3980 3.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6730 1.8520 3.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0790 2.5950 0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 3.3420 1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0240 3.1730 1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3540 2.8410 2.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2940 8.1460 1.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8310 8.7540 -0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9710 9.6280 -2.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9420 9.3110 -0.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4660 10.7840 -4.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6860 9.5720 -4.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7640 11.2360 -3.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5470 10.2040 2.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9460 5.8110 -1.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9900 5.7290 -3.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5160 5.6000 -3.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 5.5440 -1.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 1.3500 1.7880 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.4240 0.8090 1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 51 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 51 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 51 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 8 9 2 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 51 1 M END