PUBCHEM-ZINC04984979 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -0.5260 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8060 -1.2210 -0.8940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -0.4760 -1.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -0.8490 -1.1460 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -1.3020 -2.4460 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9420 0.2440 -0.5030 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4780 -2.2330 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4100 -3.5170 -0.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 -4.6030 0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7580 -4.4050 1.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8270 -3.1210 2.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6920 -2.0350 1.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9070 -5.5680 2.5210 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8450 -6.6990 2.0730 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0900 -5.3940 3.7120 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 -0.5710 -2.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2470 -3.6710 -1.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4960 -5.6060 -0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9900 -2.9670 3.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -1.0320 1.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2330 -0.2180 1.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1300 -0.5760 0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 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 27 1 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 27 28 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END