PUBCHEM-ZINC03645631 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 30 0 0 1 0 0 0 0 0999 V2000 -1.5930 -6.4970 -1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 -5.6470 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6490 -6.0330 1.0570 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5160 -4.0210 -0.6080 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2090 -3.0860 0.8240 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9980 -3.7260 1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8770 -1.8030 0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1930 -1.9970 -0.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7600 -3.1140 -0.2730 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1970 -2.9300 1.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 -1.8770 1.9040 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4290 -0.4500 2.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8950 -2.1710 3.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7490 -1.9630 0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8490 -7.4670 -0.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5160 -6.0210 -1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 -6.6630 -1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1420 -1.1850 1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 -1.2200 -0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7550 -2.6790 2.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 -3.8910 2.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2520 -0.4300 2.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 0.2030 2.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 -0.1180 1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3030 -3.1780 2.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7030 -1.4340 3.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3260 -2.1010 4.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 -1.6490 -0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6020 -1.2820 0.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 -2.9900 0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5520 -0.9870 -1.0860 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 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 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 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 2 0 0 0 0 8 31 1 0 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 M CHG 1 11 1 M CHG 1 31 -1 M END