PUBCHEM-ZINC06408707 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 41 0 0 1 0 0 0 0 0999 V2000 -0.5390 1.3920 0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0830 -0.0550 -0.0070 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9450 -0.7060 -0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8890 -0.1250 -1.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0870 -0.4020 -0.8970 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5760 -0.5250 1.2190 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 -0.8360 2.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2920 -0.7610 2.5450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -1.3420 3.5060 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7460 -0.7110 3.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1940 -2.8110 3.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6320 -3.4260 4.1610 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4340 -2.6830 5.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 -1.1630 4.7500 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 -1.0640 4.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6510 -1.1090 6.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8550 -1.2000 6.2250 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3800 -0.9530 7.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2610 -1.0160 8.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7920 -0.9840 9.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1820 -0.9590 10.9990 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5090 -0.1210 11.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2600 -0.9170 12.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0260 -1.8860 12.9210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 2.0580 0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0450 1.7400 -0.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2360 1.5090 0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5870 -0.6160 1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3400 -3.4550 3.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 -2.9690 2.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8930 0.0050 6.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1210 -1.7550 6.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8610 -1.9310 8.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9520 -0.1730 8.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4190 -0.0930 9.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4620 -1.8470 9.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3780 0.0820 -2.3550 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.1340 -0.0260 12.0720 O 0 5 0 0 0 0 0 0 0 0 0 0 0.6210 -2.2190 11.2550 N 0 3 0 0 0 0 0 0 0 0 0 0 1.6170 -2.0630 11.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4450 -2.9880 10.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1680 -2.5040 12.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 37 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 18 32 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 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 39 1 0 0 0 0 23 24 2 0 0 0 0 23 38 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 39 42 1 0 0 0 0 M CHG 1 37 -1 M CHG 1 38 -1 M CHG 1 39 1 M END