PUBCHEM-ZINC03026366 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 40 0 0 1 0 0 0 0 0999 V2000 -0.1140 1.1100 -0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -0.4070 -0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -0.7090 0.8930 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8050 -2.0050 1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 -2.8600 0.4600 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5030 -2.3950 2.4820 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5200 -2.0020 2.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -1.8170 3.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 -2.3290 4.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8200 -0.2890 3.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5440 -3.8560 2.5890 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8890 -4.6850 2.0920 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6470 -6.0540 2.3860 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1910 -4.2120 0.7860 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2240 -4.1820 3.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5420 -4.9190 4.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5900 -4.5240 5.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3200 -3.3930 4.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0030 -2.6570 3.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9580 -3.0540 2.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4420 -2.9700 5.6150 N 0 3 0 0 0 0 0 0 0 0 0 0 7.7210 -3.6190 6.6070 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0850 -1.9740 5.3370 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8930 1.5270 -0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6260 1.3360 -1.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6670 1.5460 0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0390 -0.8250 -0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 -0.8440 -1.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 -2.1280 3.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 -1.9500 5.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 -1.9830 5.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3840 -3.4190 4.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 0.0760 2.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2780 0.1230 4.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8640 0.0220 3.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7850 -4.3370 2.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9720 -5.8020 4.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8380 -5.0990 5.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5730 -1.7740 3.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7120 -2.4810 1.9250 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 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 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 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 40 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