PUBCHEM-ZINC05718127 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 31 0 0 0 0 0 0 0 0999 V2000 0.0160 1.3080 0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 -0.1540 0.1200 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2310 -0.9180 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4730 -0.9440 0.0360 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2420 -2.2610 0.5180 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4390 -0.0680 0.6000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8570 -1.0940 -1.5680 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0080 -1.8010 -2.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 -2.9240 -1.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5020 -3.6210 -2.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6700 -3.2010 -4.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -2.0830 -4.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8430 -1.3820 -3.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5050 -0.2840 -4.2010 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2870 0.0860 -5.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5680 -3.9520 -5.0360 N 0 3 0 0 0 0 0 0 0 0 0 0 2.1580 -4.9370 -4.6300 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7170 -3.5830 -6.1870 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0520 1.6440 0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4630 1.7310 -0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5140 1.6370 1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5110 -1.1620 1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 -1.8380 -0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0190 -0.3220 -0.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6700 -0.6920 -1.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4630 -3.2540 -0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 -4.4950 -2.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1350 -1.7580 -5.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8730 0.9760 -5.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2290 0.2980 -5.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5930 -0.7310 -6.2160 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 3 22 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END