IBS-ZINC00140087 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 0 0 0 0 0 0999 V2000 -0.1230 1.4330 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 -0.0660 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 -0.7560 1.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0740 -2.1520 1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 -2.8370 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 -4.2440 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 -4.8580 -1.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 -4.0890 -2.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1480 -4.7050 -3.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1930 -3.9410 -4.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 -2.5550 -4.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 -1.9330 -3.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -2.6770 -2.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 -2.0460 -1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 -0.6970 -1.1160 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0850 -2.8250 2.4020 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2270 -0.0630 2.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4730 -0.9360 3.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6210 1.2620 4.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9610 1.8680 4.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6310 1.5310 5.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8810 2.0820 6.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4740 2.9730 5.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8150 3.3180 3.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5640 2.7720 3.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7760 1.8530 0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1490 1.7690 -1.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0110 1.8330 0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0900 -4.8930 0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 -5.9460 -1.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 -5.7900 -3.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2400 -4.4300 -5.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 -1.9550 -5.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 -0.8440 -3.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 -3.6760 2.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 -0.6480 3.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3370 0.8760 2.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9970 -1.4990 4.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5510 -1.5300 2.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4780 -0.6180 3.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 2.0690 3.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 0.7260 5.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1900 0.8380 6.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3950 1.8180 6.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4470 3.4010 5.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2770 4.0180 3.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0670 3.0690 2.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6410 0.2880 3.0570 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.0970 0.7690 2.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 15 2 0 0 0 0 3 4 2 0 0 0 0 3 17 1 0 0 0 0 4 5 1 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 14 2 0 0 0 0 6 7 2 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 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 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 48 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 48 1 M END