PUBCHEM-ZINC00448483 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 0 0 0 0 0 0999 V2000 -0.0900 1.5490 -0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 0.0210 -0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7930 -0.4140 0.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3680 -0.4940 -0.0920 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6250 -1.6930 -0.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 -2.4160 -1.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8580 -3.6350 -1.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1460 -4.1370 -1.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1790 -3.4220 -1.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9220 -2.2010 -0.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9650 -1.4780 -0.1030 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2340 -2.2780 0.5980 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.6670 -3.3040 1.4010 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1040 -1.2780 1.1120 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1170 -3.0880 -0.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2220 -4.4670 -0.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9140 -5.1020 -1.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5020 -4.3600 -2.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3980 -2.9810 -2.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7090 -2.3450 -1.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6020 -0.8690 -1.6880 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.2270 -0.2070 -2.4970 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8880 -0.3160 -0.8700 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9220 1.9410 -0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6840 1.8590 -1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5430 1.9350 0.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4120 -0.3650 -1.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -0.0220 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3400 -0.0280 1.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8280 -1.5030 1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4120 -2.0260 -1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -4.1970 -2.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3460 -5.0890 -2.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1840 -3.8160 -1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9440 -0.5080 -0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7620 -5.0470 0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9960 -6.1790 -1.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0430 -4.8560 -3.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8570 -2.4010 -3.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END