PUBCHEM-ZINC03130220 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 1 0 0 0 0 0999 V2000 -0.4940 1.3020 0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 -0.1780 0.1140 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0190 -0.7870 0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9360 -0.5360 1.1520 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2360 0.1990 0.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1790 -2.0230 1.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9900 -2.6050 2.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2140 -3.9690 2.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -4.7510 1.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -4.1690 0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5860 -2.8060 0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 -0.0410 2.8010 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 -1.0540 3.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4110 -2.0020 2.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5250 -2.7930 2.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2870 -2.6440 3.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9380 -1.7020 4.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8220 -0.9110 4.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4440 0.0920 5.2200 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.1150 0.2160 6.2290 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4620 0.7930 5.0520 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.4810 -3.4950 3.6450 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.7900 -4.3250 2.8090 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1530 -3.3650 4.6520 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5120 -0.4940 -1.5410 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4090 1.9070 0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1930 1.5770 -0.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 1.4780 1.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0850 1.2730 0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0210 -0.1280 1.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5290 -0.0250 -0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4510 -1.9940 2.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8480 -4.4240 2.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -5.8170 1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 -4.7800 -0.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 -2.3520 -0.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8160 -2.1180 1.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8010 -3.5290 1.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5360 -1.5890 5.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 25 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 12 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 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 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 39 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 2 0 0 0 0 22 24 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M CHG 1 22 1 M CHG 1 24 -1 M END