PUBCHEM-ZINC05976837 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 27 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 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4180 -1.6240 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1390 -0.0480 1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8860 0.9000 1.1910 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9370 -0.6670 2.4260 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1440 -0.0470 -1.1770 N 0 5 0 0 0 0 0 0 0 0 0 0 -2.1710 0.9620 -1.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8510 -0.5890 -1.4900 S 0 3 0 0 0 0 0 0 0 0 0 0 0.2950 0.1530 -2.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5080 0.1300 -1.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3630 -0.2780 -2.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7050 0.3050 -2.3940 N 0 0 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 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4110 -0.3200 3.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4310 1.2160 -1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9730 -0.2350 -0.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4410 -1.3640 -2.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8990 0.0870 -3.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1320 0.0330 -1.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2890 0.0500 -3.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 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 11 1 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 M CHG 1 9 -1 M CHG 1 11 1 M END