PUBCHEM-ZINC00423545 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 1.0400 -0.2920 -0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0510 0.1130 0.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4570 -0.4610 0.1340 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1700 0.0130 0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4700 -1.9820 0.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8440 -2.5870 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3300 -2.2480 -1.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3470 -0.7470 -1.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9510 1.3510 -1.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3150 1.6480 -3.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9590 3.0340 -3.3970 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6040 3.4380 -5.0060 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3110 4.8580 -4.9870 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6350 2.5020 -5.5300 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1660 3.2330 -5.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9170 4.3960 -6.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1320 4.3100 -6.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5890 3.0700 -7.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8350 1.9090 -6.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5970 1.9680 -6.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9000 0.8340 -6.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3740 -0.3460 -6.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5610 -0.4830 -7.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3040 0.6660 -7.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9890 0.1710 -0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1950 -1.3740 -0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8140 0.0340 -1.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2630 -0.2040 1.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0960 1.2060 0.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7520 -2.4730 -0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 -2.2110 1.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7990 -3.6750 0.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5540 -2.2070 0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6830 -2.7300 -2.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3380 -2.6520 -1.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6260 -0.5520 -2.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0450 -0.2350 -0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9370 1.7140 -1.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6370 1.8450 -0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7630 0.9530 -3.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3900 1.5200 -3.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3810 3.8000 -2.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5630 5.3750 -5.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7180 5.2060 -6.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5410 3.0160 -7.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7430 -1.2070 -6.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9020 -1.4510 -7.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2470 0.5860 -7.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9660 -0.1480 -1.2820 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.3190 -0.6070 -1.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 49 1 0 0 0 0 5 6 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 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 8 49 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 9 49 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 42 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 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 18 2 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 49 1 M END