CHEMBRIDGE-ZINC04759196 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 47 0 0 0 0 0 0 0 0999 V2000 3.0620 4.1580 2.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 3.7620 1.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0390 3.2790 0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 2.1150 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 1.6510 -0.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1090 2.3360 -0.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2440 3.4970 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1730 3.9670 0.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4600 4.1870 0.0480 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4720 5.5300 0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4260 6.1500 0.1510 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7580 6.2510 0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9570 5.5380 0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1650 6.2040 0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1840 7.5860 0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9750 8.3120 0.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7680 7.6440 0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3560 9.7340 0.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5870 10.6730 0.6890 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6960 9.8130 0.7330 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2590 8.5930 0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4500 8.3580 0.7100 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4450 11.0640 0.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7780 11.6080 -0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9590 11.2470 -1.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2240 11.7710 -2.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3080 12.6310 -2.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1950 12.9530 -2.3250 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9130 12.4770 -1.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8770 4.5120 2.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 1.5770 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1900 0.7510 -1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9450 1.9690 -1.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2770 4.8670 1.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2950 3.6990 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9430 4.4620 0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0910 5.6490 0.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8400 8.1950 0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3670 10.8760 1.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8400 11.7900 1.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6560 10.5720 -0.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1340 11.5110 -2.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5070 13.0440 -3.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9940 12.7670 -0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 0 0 0 1 30 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 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 2 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 41 1 0 0 0 0 26 27 1 0 0 0 0 26 42 1 0 0 0 0 27 28 2 0 0 0 0 27 43 1 0 0 0 0 28 29 1 0 0 0 0 29 44 1 0 0 0 0 M END