PUBCHEM-ZINC04557127 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 59 0 0 1 0 0 0 0 0999 V2000 0.5110 0.9270 -1.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 -0.5030 -1.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 -1.4530 -1.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8930 -2.8640 -0.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7870 -3.6970 -0.9960 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3910 -3.2000 -0.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3970 -2.2200 -0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1440 -0.8850 -0.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2050 0.0160 -0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4760 -0.4170 -0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7120 -1.7560 0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6550 -2.6610 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8890 -2.3080 0.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1530 -1.6130 0.3180 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.1930 -2.7540 0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5720 -2.3420 -0.0920 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.0010 -1.6040 0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4520 -1.7140 -1.4970 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.4470 -1.4340 -1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5370 -0.4870 -1.3540 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.9280 0.1720 -0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2310 -0.9690 -0.9820 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4280 0.3530 -2.6570 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.4370 0.6730 -2.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5610 1.6040 -2.4360 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.6670 1.3640 -1.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1170 2.2840 -3.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3450 3.4400 -3.3790 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0610 3.8480 -4.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3140 2.5650 -1.6800 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7170 3.3360 -1.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9020 -0.4260 -3.7380 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6030 -1.0560 -3.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8730 -2.6710 -2.4610 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.5760 -3.7200 -3.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7170 -4.0010 -2.6410 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8070 -4.5330 -4.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4600 -3.4630 -0.0590 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6950 -3.7040 -0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3310 -0.5970 1.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5980 -1.1160 2.6430 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5570 1.0620 -1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 1.2710 -2.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3380 1.5760 -0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1600 -1.2290 -1.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0800 1.0730 -0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2610 0.3280 -0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8150 -3.7090 0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8440 -3.6140 -0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2690 -3.1590 1.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4910 1.6280 -4.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9790 2.6260 -4.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8850 -2.5410 -2.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0700 -3.9170 -4.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2930 -5.3470 -3.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4990 -4.9470 -4.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2100 0.6340 1.2420 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 2 3 2 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 45 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 46 1 0 0 0 0 10 11 2 0 0 0 0 10 47 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 48 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 22 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 38 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 34 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 32 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 30 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 30 31 1 0 0 0 0 32 33 1 0 0 0 0 34 35 1 0 0 0 0 34 53 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 37 54 1 0 0 0 0 37 55 1 0 0 0 0 37 56 1 0 0 0 0 38 39 1 0 0 0 0 40 41 2 0 0 0 0 40 57 1 0 0 0 0 M CHG 1 57 -1 M END