IBS-ZINC05025554 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 -0.0130 1.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 1.0910 2.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8060 1.5370 3.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 3.0020 3.6610 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6090 3.4710 2.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8190 3.0240 1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5720 3.4480 4.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9820 2.5640 5.6970 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6080 2.9570 6.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8300 4.3150 7.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3860 5.2140 6.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7620 4.7480 4.9660 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5850 6.5760 6.2100 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1130 7.5130 5.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4560 8.9430 5.6090 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9850 9.1710 6.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9700 9.9370 4.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2550 10.6830 4.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1960 10.4420 5.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8820 9.0920 5.7190 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5240 4.7930 8.2280 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.8820 5.0650 9.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7360 4.9140 8.2310 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.0340 2.0250 7.7380 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 1.4470 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9880 1.5140 2.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 0.0030 2.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 1.0920 3.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 1.2160 4.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6120 3.0470 2.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6730 4.5590 2.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3400 3.3460 0.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 3.4700 1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0370 6.9080 7.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0330 7.4170 5.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5970 7.2890 4.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2490 10.6350 4.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5340 9.4040 3.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0600 11.7470 3.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6680 10.2470 3.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9780 11.1460 6.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2390 10.5170 5.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8760 1.0800 7.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4900 2.3180 8.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 1.5600 1.2170 N 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 47 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 2 47 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 6 47 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 10 11 2 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 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 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END