PUBCHEM-ZINC01248814 MOE2007 3D CORINA 3.40 0006 02.08.2006 78 83 0 0 1 0 0 0 0 0999 V2000 0.2600 1.6260 0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3140 0.2490 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5150 -0.4220 0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6400 0.2450 0.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5530 1.6290 0.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 2.3270 0.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2930 3.8210 0.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2520 4.1560 1.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1990 5.6580 2.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 6.4580 0.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9790 6.1300 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0350 4.6310 -0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6700 -0.7260 0.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1730 -1.9190 0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8560 -1.7520 0.0010 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9810 -2.8590 -0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7460 -4.1550 -0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8960 -3.2100 0.2200 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3580 -3.3190 -0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9810 -3.1980 1.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8410 -1.9130 1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0280 -0.6080 1.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5520 -5.7410 0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0630 -6.7400 1.2480 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2070 -6.3310 2.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8230 -8.0760 1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2520 -9.1500 3.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0730 -9.7420 4.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -11.1720 3.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9970 -11.2610 2.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9300 -11.3100 1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2370 -10.5340 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6700 -7.0530 1.0860 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1360 -6.3730 1.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6710 2.1500 -0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5590 -0.2680 -0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4180 2.1520 1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2720 4.1380 1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7470 3.8190 1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4910 3.6240 2.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5930 5.8700 2.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 5.9780 2.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0550 6.2420 0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 7.5300 1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 6.6730 -1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9700 6.4780 0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 4.4320 -1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 4.3260 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 -2.9940 0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3730 -2.5800 -1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 -5.0180 -0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1820 -4.1420 -1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5230 -3.2460 2.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6460 -4.0630 1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6410 -1.9370 1.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3320 -1.9050 0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5790 0.2280 0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9130 -0.3940 2.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6370 -5.6310 0.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2980 -6.0760 -0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8520 -8.3590 0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8400 -8.0490 1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3840 -8.1090 3.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1870 -9.6820 3.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3260 -9.7260 5.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2010 -9.0860 3.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5580 -11.8390 3.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9830 -11.5300 4.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3760 -12.1660 2.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2990 -10.4230 2.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1830 -12.3580 0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3670 -10.9670 0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9860 -11.0610 1.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 -10.4250 0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9150 -4.3640 0.3770 N 0 3 0 0 0 0 0 0 0 0 0 0 2.5490 -4.2740 1.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0270 -9.1610 1.8280 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0500 -8.8600 1.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 35 1 0 0 0 0 2 3 2 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 15 1 0 0 0 0 4 5 2 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 47 1 0 0 0 0 12 48 1 0 0 0 0 13 14 2 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 17 75 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 75 1 0 0 0 0 20 21 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 22 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 23 24 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 23 75 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 33 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 26 77 1 0 0 0 0 27 28 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 27 77 1 0 0 0 0 28 29 1 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 29 30 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 30 31 1 0 0 0 0 30 69 1 0 0 0 0 30 70 1 0 0 0 0 31 32 1 0 0 0 0 31 71 1 0 0 0 0 31 72 1 0 0 0 0 32 73 1 0 0 0 0 32 74 1 0 0 0 0 32 77 1 0 0 0 0 33 34 1 0 0 0 0 75 76 1 0 0 0 0 77 78 1 0 0 0 0 M CHG 1 75 1 M CHG 1 77 1 M END