PUBCHEM-ZINC06394554 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 29 0 0 1 0 0 0 0 0999 V2000 -0.6260 -1.4930 -2.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 -2.1470 -1.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2220 -1.5740 -0.3150 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3520 -0.4890 -0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7090 -1.4040 1.0880 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7330 -0.3250 1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3810 -1.6690 -0.6030 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5180 -2.1610 2.1420 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7040 -3.1970 1.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8490 -2.1810 3.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5690 -3.0410 4.4250 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5340 -2.8340 4.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8800 -1.5150 2.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1770 -0.4380 1.8920 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6180 -2.2480 -0.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -3.3230 0.1810 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 -3.6760 -1.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3330 -1.7610 -3.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 -1.8170 -3.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6630 -0.3990 -2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8300 -2.5740 3.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8050 -1.1820 3.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 -4.0340 -1.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8870 -4.1880 -0.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6070 -4.0140 -2.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 -1.8230 1.0580 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2060 -2.8310 1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5360 -2.1580 3.3560 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4120 -1.6520 -1.2550 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 15 1 0 0 0 0 3 26 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 26 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 13 28 1 0 0 0 0 15 16 2 0 0 0 0 15 29 1 0 0 0 0 17 23 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 0 0 0 0 26 27 1 0 0 0 0 M CHG 1 28 -1 M CHG 1 29 -1 M END