PUBCHEM-ZINC05829592 MOE2007 3D CORINA 3.40 0006 02.08.2006 24 23 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 -1.9260 -0.9000 -1.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -0.4780 -1.2070 N 0 5 0 0 0 0 0 0 0 0 0 0 0.2200 -0.1560 -2.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6830 2.1540 -0.0020 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3340 1.6820 -1.8880 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7480 3.0810 -2.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5480 4.3340 -2.5230 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6060 4.1620 -2.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0620 5.4970 -3.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2980 6.3010 -2.8710 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3670 4.6380 -1.0970 N 0 5 0 0 0 0 0 0 0 0 0 0 1.3940 4.8020 -0.8840 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 1.8840 2.8560 -3.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 3.2540 -2.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 -0.5750 1.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4770 5.6380 -4.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1380 6.3990 -5.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0040 -0.9170 1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 17 1 0 0 0 0 1 18 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 21 1 0 0 0 0 6 7 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 13 14 2 0 0 0 0 13 22 1 0 0 0 0 15 16 1 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 M CHG 1 6 -1 M CHG 1 15 -1 M END