PUBCHEM-ZINC02835587 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 0 0 0 0 0 0999 V2000 1.4660 0.9670 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8610 -0.3200 -0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1930 -0.5560 -0.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1370 0.4700 -0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7360 1.7560 -0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 2.0190 0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9610 3.4140 0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0920 3.6890 2.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6680 5.0530 2.3640 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 5.6040 3.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0810 4.7780 5.0230 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0320 6.8780 3.5790 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0030 7.9640 4.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8180 8.0910 5.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7300 9.2220 6.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8310 10.2400 6.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 10.1420 5.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1130 9.0100 4.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 11.6940 7.1980 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6860 12.1000 7.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 11.1490 8.5150 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7680 12.7380 6.6370 N 0 5 0 0 0 0 0 0 0 0 0 0 1.4570 12.9840 5.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7030 -2.2240 -1.0940 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1090 -2.2590 -0.7020 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8260 -3.0730 -0.2920 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4550 -2.3080 -2.6640 N 0 5 0 0 0 0 0 0 0 0 0 0 4.0800 -1.6460 -3.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 1.1450 0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1340 -1.1270 -0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1750 0.2770 -0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 2.5520 -0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5520 4.1450 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9220 3.5720 0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4760 2.9870 2.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1320 3.5710 2.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4270 5.6550 1.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5220 7.0580 2.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5640 7.3500 5.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3690 9.3080 7.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6840 10.9360 4.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5320 8.9560 3.3130 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 24 25 2 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 M CHG 1 22 -1 M CHG 1 27 -1 M END