PUBCHEM-ZINC05160364 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 31 0 0 1 0 0 0 0 0999 V2000 1.0920 0.1000 1.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -0.2920 0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1840 -0.0120 0.3880 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4340 -1.0070 -0.9070 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4320 -1.5340 -1.9840 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2420 -2.0860 -1.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 -0.4140 -2.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7900 -0.3480 -3.0810 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0700 -1.8920 -4.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4480 -1.8940 -4.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7650 -3.2240 -5.3590 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.7900 -4.0390 -4.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0960 -3.2810 -6.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8570 -3.8250 -7.3060 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3810 -2.5170 -2.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6260 -2.5400 -2.6200 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -0.6920 1.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0340 0.2570 0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8210 1.0320 1.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4200 -1.2500 -1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6770 0.5660 -2.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 -0.4550 -3.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2950 -1.9720 -4.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9870 -2.7360 -3.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2280 -1.6910 -3.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5040 -1.0830 -5.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1470 -2.8330 -5.6580 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.6650 -3.5960 -6.3360 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.0120 -4.3100 -5.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1700 -2.7950 -6.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2620 -3.9880 -7.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2830 -3.1650 -3.7390 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 13 14 2 0 0 0 0 13 27 1 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 M CHG 1 27 -1 M CHG 1 28 1 M CHG 1 32 -1 M END