PUBCHEM-ZINC06494298 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 38 0 0 1 0 0 0 0 0999 V2000 0.1560 2.3070 1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9060 0.9730 1.2450 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6950 0.9870 0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 -0.2560 1.0820 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7220 -0.2970 1.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 -1.6110 0.9710 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2630 -1.6800 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6650 -1.9460 2.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7190 -3.4670 2.0770 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3320 -3.7230 1.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2790 -2.7240 0.9990 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3090 -5.0860 1.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4960 -6.0550 1.4490 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0620 -4.0940 3.7430 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1980 -5.4620 3.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9970 -5.9490 4.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8680 -5.2720 5.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0540 -6.4280 6.4820 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7480 -0.0320 -0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 0.0160 -1.2850 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5420 0.9550 2.5280 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4230 0.5620 2.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6510 2.3260 1.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8320 3.1320 1.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2680 2.5140 0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6580 -1.5080 1.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -1.5770 3.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4420 -3.8160 1.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6040 -6.2930 2.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8900 -5.1320 2.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3300 -6.1640 5.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4970 -6.8830 4.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6230 -4.5160 6.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4290 -7.2120 6.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8130 -6.5360 7.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5620 -5.1440 1.8030 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9980 -4.9450 4.9050 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9930 0.1690 -0.1410 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 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 19 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 9 28 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 36 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 17 37 2 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 21 22 1 0 0 0 0 M CHG 1 13 -1 M CHG 1 38 -1 M END