PUBCHEM-ZINC04529964 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5270 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0200 -0.3820 -0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7720 -0.4900 -1.2300 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2540 -0.1690 -2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 0.1110 -1.2070 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7180 -0.1850 -2.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0760 1.6370 -1.1520 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5770 2.0000 -2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 2.0200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4230 2.2180 -1.0720 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4610 3.4500 -1.6610 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6130 4.1480 -1.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6600 5.6920 -2.4280 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7280 3.6310 -1.1380 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8830 -0.3630 -0.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8580 -1.9160 -1.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6450 -0.4800 1.1860 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8880 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8780 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7400 2.2650 -0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6580 3.8220 -2.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7020 2.7560 -0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5580 4.1330 -1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7850 -0.0220 0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.3620 -1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2110 -0.2050 2.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 18 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 17 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 23 1 0 0 0 0 15 24 1 0 0 0 0 16 25 1 0 0 0 0 17 26 1 0 0 0 0 18 27 1 0 0 0 0 M END