CHEMBRIDGE-ZINC01053085 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 65 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 -0.6180 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 -2.0030 1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3170 -2.6260 2.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8950 -1.8690 3.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8400 -0.4880 3.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 0.1390 2.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5870 -2.5500 4.3100 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2430 -3.5800 4.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1170 -2.5040 4.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6040 -1.7200 5.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5950 -1.3760 6.0540 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3620 -1.8080 5.5610 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 -1.5820 6.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 -2.0060 5.6120 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0760 -0.8040 7.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3870 -0.6920 7.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8230 -0.0050 9.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8360 0.6720 11.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4040 2.1320 10.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 2.1810 10.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0530 1.4610 8.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0070 -1.3980 5.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4460 -0.6860 6.7020 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8960 -0.3100 7.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8220 -0.6050 6.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8100 -0.0240 7.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1310 -0.1230 7.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4790 -0.8000 5.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5210 -1.3780 5.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1730 -1.2920 5.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0330 -1.7540 4.8760 N 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 0.2300 -2.5950 0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3610 -3.7040 2.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2920 0.1000 3.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 1.2170 2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5330 -3.5120 4.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3770 -1.9900 3.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6450 -1.3180 8.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4880 0.1940 7.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 -0.1780 7.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7990 -1.6900 8.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1160 -1.0490 9.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5230 0.5040 9.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8430 0.6320 11.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1460 0.1550 11.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1160 2.6590 10.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3700 2.6060 11.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2820 3.2200 10.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7060 1.6880 10.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7620 1.9620 8.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9390 1.4810 8.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5460 0.5040 8.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9010 0.3290 7.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5180 -0.8690 5.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8030 -1.9020 4.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4710 0.0680 9.1060 N 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 9 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 2 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 14 15 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 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 61 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 19 61 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 23 61 1 0 0 0 0 24 25 1 0 0 0 0 24 33 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 57 1 0 0 0 0 29 30 1 0 0 0 0 29 58 1 0 0 0 0 30 31 2 0 0 0 0 30 59 1 0 0 0 0 31 32 1 0 0 0 0 31 60 1 0 0 0 0 32 33 1 0 0 0 0 M END