PUBCHEM-ZINC03869383 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 0.0780 1.2480 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1440 -0.0770 0.2980 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3710 -0.6380 0.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5020 0.1850 0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2780 1.5240 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0860 2.1280 -0.1200 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5260 2.0790 -0.0870 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4350 1.0830 0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8530 -0.0780 0.3930 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8280 3.4610 -0.4010 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8950 4.0380 -0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5940 3.6840 -1.7200 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4450 2.9860 -1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1660 5.0720 -1.4180 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4060 5.8630 -1.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5940 4.9560 0.0480 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4360 5.9180 0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6950 3.9850 0.6420 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0530 4.5170 0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6340 4.6370 1.9430 S 0 0 0 0 0 0 0 0 0 0 0 0 9.4230 4.6330 1.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2190 4.4810 2.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7240 4.5420 2.6680 C 0 0 3 0 0 0 0 0 0 0 0 0 12.0240 5.4520 2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5430 4.4130 3.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3190 3.3970 3.8510 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2160 5.3780 -2.3270 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8360 5.0600 -3.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7970 3.7730 -2.7700 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4590 -1.9870 0.7150 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9220 1.6570 -0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5020 1.2650 0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1870 3.4780 -0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7050 5.1600 -0.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6440 3.8060 0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6870 5.5720 1.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9410 5.2830 3.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9610 3.5360 3.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -2.5180 0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3730 -2.4040 0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3700 5.2460 4.8940 O 0 5 0 0 0 0 0 0 0 0 0 0 12.1720 3.3770 1.8030 N 0 3 0 0 0 0 0 0 0 0 0 0 12.6790 3.6420 0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4810 2.6390 1.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9020 2.9670 2.4790 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 31 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 8 32 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 27 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 42 1 0 0 0 0 25 26 2 0 0 0 0 25 41 1 0 0 0 0 27 28 1 0 0 0 0 30 39 1 0 0 0 0 30 40 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 42 45 1 0 0 0 0 M CHG 1 29 -1 M CHG 1 41 -1 M CHG 1 42 1 M END