NCID-ZINC04775703 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 30 0 0 1 0 0 0 0 0999 V2000 -0.9550 0.1130 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3310 -1.1390 0.5870 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0990 -1.8210 -0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9590 -0.8220 1.3720 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6410 -0.2200 0.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6980 -2.1710 1.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6230 -2.6610 2.7550 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7280 -0.1820 2.6750 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6120 1.1600 2.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 2.1430 2.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 3.5140 2.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3470 3.9370 3.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 3.0040 4.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 1.6330 4.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 0.6950 5.1850 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.4540 0.9900 5.7740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 -0.3180 5.4050 O 0 5 0 0 0 0 0 0 0 0 0 0 0.2330 5.3680 3.7940 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4880 6.1660 2.8800 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1130 5.7010 4.9360 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.6330 -1.9760 1.5800 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2190 0.6460 -0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7900 -0.1490 -0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3350 0.8090 0.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7210 -0.8740 3.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4070 1.8590 1.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1870 4.2230 1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4780 3.3240 5.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4890 -1.1960 2.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3020 -2.6110 0.5670 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 21 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 30 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 28 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 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 29 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M CHG 1 18 1 M CHG 1 20 -1 M CHG 1 30 -1 M END