CHEMSTAR-ZINC04017986 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 0 0 0 0 0 0999 V2000 -0.0250 1.3830 0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 0.0080 0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 -0.6580 0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3620 0.0500 0.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3590 1.4240 0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 2.0960 0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 3.4860 0.0770 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4120 4.2370 0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1280 5.7290 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4380 6.5140 0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1660 7.9420 -0.0930 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2150 8.8640 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5260 8.4200 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5650 9.3380 0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2890 10.7000 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9820 11.1390 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9460 10.2260 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5480 10.7010 -0.1960 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2840 11.6770 -0.8750 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6610 10.1150 0.3990 O 0 5 0 0 0 0 0 0 0 0 0 0 7.8870 8.8960 0.1840 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9830 9.8670 0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3170 9.1250 0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 -2.1310 0.6260 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1410 -2.7550 0.5500 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 -2.7190 0.8210 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9550 1.9020 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9380 -0.5470 0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2910 -0.4740 0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2850 1.9760 0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 3.9550 -0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8650 4.0700 1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0960 3.9000 -0.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 5.8960 -0.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4450 6.0670 0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8910 6.3470 1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 6.1760 -0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2580 8.2480 -0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7380 7.3610 0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0970 11.4160 0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7700 12.1970 -0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0790 7.9460 0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9710 10.4750 -0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8590 10.5090 1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3290 8.5160 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4400 8.4820 -0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2900 10.7470 1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4160 10.0980 0.3820 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3090 9.6320 0.4470 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 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 39 1 0 0 0 0 14 15 1 0 0 0 0 14 21 1 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 48 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M CHG 1 24 1 M CHG 1 26 -1 M END