PUBCHEM-ZINC03957109 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 55 0 0 1 0 0 0 0 0999 V2000 1.5570 2.2570 -0.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9530 0.8850 -0.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4310 0.0080 -1.4670 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9640 -1.2760 -1.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1960 -1.6790 -0.5190 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5230 -2.0900 -2.5570 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5010 -1.6800 -2.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5550 -1.9110 -3.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0840 -2.4930 -5.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1730 -2.1510 -6.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3870 -0.9880 -6.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4730 -0.6570 -8.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5560 -1.4820 -8.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 -2.6390 -7.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9210 -2.9710 -6.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -3.8270 -1.0740 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0520 -3.5260 -0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9370 -3.1740 -1.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7650 -5.3580 -1.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9150 -5.9630 -2.1360 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8260 -5.9870 0.1590 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7930 -5.3760 1.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4730 -6.4010 2.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0260 -7.7290 1.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9370 -7.4540 0.2610 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8570 -7.7520 -0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7330 -8.2790 -0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 -7.7440 -0.1480 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 2.2060 -0.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2760 2.6400 -1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 2.9650 0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 0.5050 0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1400 0.9480 -0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4190 -2.3590 -3.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -0.8380 -3.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0910 -2.1100 -5.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 -3.5830 -4.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 -0.3330 -6.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 0.2460 -8.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2270 -1.2220 -9.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6250 -3.2810 -7.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1100 -3.8730 -5.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4130 -3.3670 -2.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8790 -2.0910 -1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6080 -3.5710 -0.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 -4.4100 1.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7430 -5.2350 1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5630 -6.3080 2.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2010 -6.2930 3.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7310 -8.5360 1.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 -8.0130 2.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6680 -3.5120 -2.2140 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9970 -4.0570 -3.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0370 -9.4300 -0.7010 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 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 6 8 1 0 0 0 0 6 52 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 16 52 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 27 54 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 54 -1 M END