PUBCHEM-ZINC05718816 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 44 0 0 0 0 0 0 0 0999 V2000 1.4140 1.1660 0.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 0.9560 3.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3120 1.3390 3.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5010 2.7940 3.7100 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3860 3.4180 2.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 3.0670 1.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7570 3.4320 4.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8450 2.8070 5.9770 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9310 4.9200 4.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 5.6730 5.1240 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2620 5.2170 6.3650 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4040 5.5470 3.8830 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7220 7.3890 5.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8790 7.8490 6.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1570 9.1960 6.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2650 10.1070 5.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0980 9.6500 4.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 8.2970 4.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7270 7.8890 2.9070 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2010 8.3620 2.2420 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6150 7.1340 2.4880 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.5970 11.5490 6.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9370 11.7810 6.1080 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1430 11.9870 7.3210 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.0660 12.3940 5.1880 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4560 0.0750 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2530 1.5670 1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3990 1.5800 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8740 1.3450 3.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 -0.1300 2.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1400 0.9070 3.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 0.9220 4.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2190 3.0370 1.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4950 4.4990 2.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 3.4230 0.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8030 3.4770 2.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4490 5.2970 4.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5260 5.1850 5.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7870 7.1750 7.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2840 9.5350 7.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 10.3490 3.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 1.5540 1.6750 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6340 1.1630 1.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 42 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 2 42 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 6 42 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 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 22 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 42 43 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M CHG 1 42 1 M END