PUBCHEM-ZINC04556836 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 1 0 0 0 0 0999 V2000 0.5480 1.2140 0.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2160 -0.0580 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0570 -0.5960 -0.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7820 -1.8380 -1.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5820 -2.2840 -2.4430 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4240 -2.4740 -1.3490 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3360 -1.9310 -0.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0580 -0.7410 0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0160 -0.2720 1.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2120 -0.9730 1.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4670 -2.1480 0.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5180 -2.6460 -0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5930 -2.8960 0.8770 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8000 -2.2100 0.5070 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.6230 -1.6160 -0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8900 -3.2510 0.1940 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.5150 -3.9800 -0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2580 -4.0180 1.4890 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.3930 -4.6180 1.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6270 -3.0660 2.6320 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.7030 -3.6240 3.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5870 -1.9480 2.7650 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.6480 -2.3830 3.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3090 -1.3140 1.5010 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0540 -0.8560 3.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0130 0.0960 3.9070 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9770 -0.0910 5.1510 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9060 0.8480 4.8280 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7780 0.2590 6.3200 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9380 -2.5370 2.3850 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4510 -3.3110 2.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3520 -4.9300 1.3120 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5010 -5.0360 0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0560 -2.5960 -0.4130 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.0000 -3.2890 -1.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9940 -4.5170 -1.1940 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0810 -2.4380 -1.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5260 1.6090 0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1930 1.9910 0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5830 1.0490 1.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 -0.1320 -1.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8560 0.6350 1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9190 -0.5970 2.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6960 -3.5770 -0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9010 -0.3070 3.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3720 -1.2740 4.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1740 -1.5980 -0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7030 -1.4420 -1.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4420 -2.9090 -2.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9040 -2.3450 -1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5760 -1.4940 5.0870 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 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 41 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 42 1 0 0 0 0 10 11 2 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 24 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 34 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 32 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 30 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 25 26 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 2 0 0 0 0 27 51 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 47 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 37 48 1 0 0 0 0 37 49 1 0 0 0 0 37 50 1 0 0 0 0 M CHG 1 51 -1 M END