PUBCHEM-ZINC02790633 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 0 0 0 0 0999 V2000 0.1360 1.3280 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1950 -0.0520 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4200 -0.6930 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5900 0.0450 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5380 1.4250 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 2.0720 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2520 3.4690 -0.0050 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1840 4.1700 0.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1160 3.5930 1.1960 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0720 5.6400 0.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9690 6.4180 -0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8640 7.7890 -0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8620 8.3950 0.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9640 7.6300 2.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0640 6.2560 2.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1670 5.4390 3.2560 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2800 5.9820 4.3400 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1400 4.2240 3.1830 O 0 5 0 0 0 0 0 0 0 0 0 0 1.7490 9.8670 1.0700 N 0 3 0 0 0 0 0 0 0 0 0 0 1.6590 10.5430 0.0600 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7470 10.4020 2.1630 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4920 -2.4530 -0.1010 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7610 -2.8120 0.4270 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 -2.9130 0.4470 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4980 -2.9180 -1.6900 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5660 -2.5820 -2.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6710 -2.8960 -3.7600 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7610 -2.4930 -4.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6160 -1.8070 -3.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9360 -1.6880 -2.0090 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8210 1.8270 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7160 -0.6310 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5450 -0.4580 -0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4520 2.0010 -0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 3.9330 -0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9710 5.9470 -1.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7840 8.3920 -1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9620 8.1080 3.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 -3.4260 -2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9450 -2.7020 -5.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5600 -1.3930 -3.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 26 27 2 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 40 1 0 0 0 0 29 30 1 0 0 0 0 29 41 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M CHG 1 19 1 M CHG 1 21 -1 M END