PUBCHEM-ZINC00455052 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 -2.2470 -0.0640 0.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9790 -0.7950 0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1520 -0.5850 1.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3460 -1.2350 0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4230 -2.1120 -0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3150 -2.3480 -1.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8950 -1.6540 -0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0990 -1.8170 -1.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3890 -3.2920 -2.2250 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5440 -3.8370 -2.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7090 -3.5730 -2.4890 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3270 -4.7900 -3.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7480 -4.3740 -5.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5820 -5.2130 -6.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0030 -6.4680 -6.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5990 -6.8870 -4.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7590 -6.0600 -3.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3470 -6.5710 -2.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2790 -7.2990 -1.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9220 -7.8730 -0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3770 -7.7370 0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3150 -7.0150 -0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9670 -6.4170 -1.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0050 -5.5990 -2.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6130 -4.4860 -3.0630 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.4360 0.7400 -0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0970 -0.7530 0.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1840 0.3850 1.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 0.0850 1.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2170 -1.0770 1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3640 -2.6290 -0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8020 -1.9090 -2.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6820 -2.6890 -1.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7530 -0.9410 -1.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5160 -3.6290 -2.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2000 -3.3930 -5.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8990 -4.8870 -7.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8650 -7.1240 -6.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1490 -7.8720 -4.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2960 -7.4310 -1.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6560 -8.4330 0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6620 -8.1860 1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3290 -6.9040 -0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1880 -6.0560 -2.6080 O 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 44 2 0 0 0 0 M CHG 1 25 -1 M END