PUBCHEM-ZINC05431414 MOE2007 3D CORINA 3.40 0006 02.08.2006 23 22 0 0 1 0 0 0 0 0999 V2000 -0.2400 1.4780 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6130 0.0220 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5930 -0.4200 0.5040 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2730 -0.7260 -0.8210 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 -2.1720 -1.0790 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3660 -2.6480 -0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5060 -2.4880 -2.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2870 -2.0860 -2.4410 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7400 -2.5810 -4.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8560 -2.9110 -4.9250 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0720 -2.5750 -4.2810 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5650 -2.8100 -1.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4710 -1.9880 -1.5930 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4630 1.6350 0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 1.8050 -0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1390 2.0770 0.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1150 -0.3160 -1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 -1.9190 -3.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4100 -3.5540 -2.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3310 -3.1640 -5.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6930 -2.2980 -3.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4770 -2.8360 -5.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6380 -4.0490 -1.0250 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 1 16 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 17 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 7 8 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 13 2 0 0 0 0 12 23 1 0 0 0 0 M CHG 1 23 -1 M END