PUBCHEM-ZINC06190662 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 70 0 0 1 0 0 0 0 0999 V2000 1.8390 1.5640 0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1710 0.1220 0.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6860 -0.0250 0.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3580 -0.3430 2.0210 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3000 -0.0830 1.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4540 -1.8710 2.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2180 -2.3850 3.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 -2.5830 1.3400 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5340 -4.0540 1.3240 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8390 -4.4310 2.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4200 -4.6740 0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8920 -4.2640 0.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3420 -6.2070 0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 -4.4470 1.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5400 -3.6990 0.2160 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8150 0.2330 3.2800 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 1.4120 3.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4820 2.1030 3.2990 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0610 1.7980 5.1370 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0680 2.1300 4.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1270 0.5960 6.0780 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1050 0.2270 6.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8050 0.9550 7.3820 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8450 1.2810 7.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9890 2.0510 8.0160 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9700 1.7000 8.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0180 3.2150 7.0400 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0420 3.5510 6.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3810 2.8820 5.8100 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 4.2440 7.8190 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9070 3.9800 9.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4970 2.6560 9.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9840 5.0000 9.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7380 4.0500 10.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8560 -0.3190 8.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1470 -1.2190 6.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9170 -0.5160 5.6630 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6100 -1.6400 6.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2180 -2.4240 7.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1860 2.2790 1.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3200 1.8260 -0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7590 1.6960 0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8880 -0.5100 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0590 0.6250 1.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9610 -1.0550 1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2140 0.2470 0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.1280 0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 -4.3180 -0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2890 -4.5280 1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5070 -4.7650 -0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0210 -3.1890 0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3370 -6.5570 -0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0220 -6.6290 -0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6160 -6.6200 1.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5060 -0.3200 3.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5950 6.0220 9.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3880 4.8210 10.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8230 4.9340 8.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 3.3220 9.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0590 3.8200 11.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2670 5.0390 10.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8430 -2.1390 7.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8630 -2.3060 6.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2670 -0.7660 6.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 -2.1100 6.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3730 -3.1070 6.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3650 -2.9690 7.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3860 -5.4350 1.7080 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 43 1 0 0 0 0 3 44 1 0 0 0 0 3 45 1 0 0 0 0 3 46 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 16 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 47 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 48 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 12 51 1 0 0 0 0 13 52 1 0 0 0 0 13 53 1 0 0 0 0 13 54 1 0 0 0 0 14 15 2 0 0 0 0 14 68 1 0 0 0 0 16 17 1 0 0 0 0 16 55 1 0 0 0 0 17 18 2 0 0 0 0 17 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 32 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 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 33 56 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 39 1 0 0 0 0 38 62 1 0 0 0 0 38 63 1 0 0 0 0 38 64 1 0 0 0 0 39 65 1 0 0 0 0 39 66 1 0 0 0 0 39 67 1 0 0 0 0 M CHG 1 68 -1 M END