PUBCHEM-ZINC04098918 MOE2007 3D CORINA 3.40 0006 02.08.2006 71 75 0 0 1 0 0 0 0 0999 V2000 -0.7230 1.2670 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2770 -0.1530 0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 -0.6310 1.2060 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3640 -0.8120 -1.0370 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -2.1880 -0.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -2.8020 -2.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1860 -2.0010 -3.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 -2.5470 -4.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4180 -1.6950 -5.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4940 -2.1930 -7.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3860 -3.5750 -7.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 -4.4280 -6.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 -3.9440 -4.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 -4.7850 -3.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 -4.1910 -2.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 -5.0550 -1.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1700 -5.5560 -0.9480 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1160 -5.1390 -0.9040 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2920 -5.9670 0.2580 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7210 -6.9010 0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8170 -6.2460 0.4270 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2960 -5.2600 0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0310 -6.9830 1.7680 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6140 -8.0010 1.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4180 -6.2070 2.9300 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9530 -5.2580 3.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9430 -5.9600 2.6310 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3870 -6.9040 2.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 -5.2430 1.3960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2840 -5.1080 3.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 -4.8560 3.3530 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0450 -4.6630 2.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5910 -6.9570 4.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5100 -7.2920 4.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4390 -7.1290 2.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7560 -7.3070 1.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2660 -7.0600 -0.5260 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.1940 -6.2500 -3.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8890 -7.1100 -3.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7720 -8.4980 -3.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4300 -9.0020 -4.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4910 -8.1820 -4.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4090 -6.8100 -4.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5830 -8.8780 -4.9670 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0820 -10.2300 -4.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7220 -10.3170 -4.4400 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 -3.9980 -8.7160 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5280 -5.3980 -8.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 -1.4190 -8.3190 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8040 -0.0150 -8.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 1.7720 -0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7660 1.2900 -0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 1.7900 0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0630 -2.2560 -0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6580 -2.7150 -0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 -0.9240 -3.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 -0.6290 -5.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 -5.4970 -6.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 -5.6070 4.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 -4.1350 3.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8330 -6.6970 -3.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6020 -9.1490 -3.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2660 -6.1870 -4.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7240 -10.8150 -4.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1340 -10.6640 -5.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4140 -5.8830 -8.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 -5.5490 -10.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3790 -5.8550 -8.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1070 0.4120 -7.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6840 0.2290 -7.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9450 0.4360 -9.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 51 1 0 0 0 0 1 52 1 0 0 0 0 1 53 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 54 1 0 0 0 0 5 55 1 0 0 0 0 6 7 2 0 0 0 0 6 15 1 0 0 0 0 7 8 1 0 0 0 0 7 56 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 57 1 0 0 0 0 10 11 1 0 0 0 0 10 49 1 0 0 0 0 11 12 2 0 0 0 0 11 47 1 0 0 0 0 12 13 1 0 0 0 0 12 58 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 29 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 37 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 35 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 33 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 30 31 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 31 32 1 0 0 0 0 33 34 1 0 0 0 0 35 36 1 0 0 0 0 38 39 1 0 0 0 0 38 43 2 0 0 0 0 39 40 2 0 0 0 0 39 61 1 0 0 0 0 40 41 1 0 0 0 0 40 62 1 0 0 0 0 41 42 2 0 0 0 0 41 46 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 43 63 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 64 1 0 0 0 0 45 65 1 0 0 0 0 47 48 1 0 0 0 0 48 66 1 0 0 0 0 48 67 1 0 0 0 0 48 68 1 0 0 0 0 49 50 1 0 0 0 0 50 69 1 0 0 0 0 50 70 1 0 0 0 0 50 71 1 0 0 0 0 M CHG 1 37 -1 M END