PUBCHEM-ZINC03872678 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 26 0 0 1 0 0 0 0 0999 V2000 0.3710 1.1630 -0.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 0.1850 -1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -1.0720 -2.0990 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 -2.5080 -0.9280 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8390 -2.5070 -0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 -3.8130 -1.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0650 -4.2420 -2.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1220 -4.0790 -1.7050 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2480 -2.2010 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9320 -1.4020 0.9990 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2650 1.5020 1.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 0.2650 2.2900 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0250 -0.0820 3.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4960 -0.4720 1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7570 2.3450 2.8450 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0470 3.2870 2.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8470 2.0460 3.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3160 0.7080 -0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 1.8760 -1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2370 -0.2840 -0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4110 0.7380 -1.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0510 -3.7610 -2.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -4.6230 -1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -4.7390 -3.5340 O 0 5 0 0 0 0 0 0 0 0 0 0 2.3630 -2.7500 -0.1560 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.1440 1.9600 0.6300 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3610 2.9300 0.4580 H 0 0 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 26 1 0 0 0 0 2 3 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 4 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 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 8 2 0 0 0 0 7 24 1 0 0 0 0 9 10 2 0 0 0 0 9 25 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 26 27 1 0 0 0 0 M CHG 1 12 1 M CHG 1 24 -1 M CHG 1 25 -1 M END