PUBCHEM-ZINC05734510 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 22 0 0 0 0 0 0 0 0999 V2000 -0.0220 1.8060 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6800 -0.3240 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5680 0.7060 0.0300 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8360 0.4650 0.0410 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7150 1.4850 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0710 1.2270 0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1070 2.1940 0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2970 1.4910 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9810 0.1450 0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6520 0.0050 0.0600 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9600 -0.9660 0.0830 N 0 3 0 0 0 0 0 0 0 0 0 0 -10.2510 -0.7060 0.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5400 -2.2140 0.0720 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.2430 -1.9410 0.0130 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 2.1830 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 2.1670 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 2.1570 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3600 2.5050 0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9900 3.2670 0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2900 1.9150 0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6350 -1.7150 0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 15 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 19 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 9 10 2 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 22 1 0 0 0 0 M CHG 1 12 1 M CHG 1 14 -1 M END