PUBCHEM-ZINC06130152 MOE2007 3D CORINA 3.40 0006 02.08.2006 71 75 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -0.4760 -1.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1480 -0.5970 -1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5530 -1.9510 -0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1880 -0.8750 -2.5520 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6170 -1.7760 -3.3000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4970 -1.1920 -2.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 0.5850 -3.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6220 0.8740 -4.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 2.0140 -5.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 2.8760 -5.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5270 2.5880 -4.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4100 1.4280 -3.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4420 3.5920 -4.1450 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 4.4640 -5.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9370 4.0690 -5.6660 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 4.7450 -6.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5600 4.4690 -8.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 5.1360 -9.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 6.0790 -8.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3730 6.3580 -7.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7050 5.6980 -6.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9970 5.9760 -5.0860 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.9650 -4.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0010 5.9250 -5.4560 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.3720 5.7750 -4.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3010 6.9510 -4.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0600 7.8060 -5.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4000 7.0520 -3.6700 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3270 8.1880 -3.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6730 7.6430 -4.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0830 6.4440 -3.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4270 6.0930 -3.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8680 5.0000 -2.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9650 4.2440 -2.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6300 4.5920 -2.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1870 5.6950 -2.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7220 6.0320 -2.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5100 -0.5200 -2.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5830 0.2030 -0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6400 -2.0410 -0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1910 -2.0280 0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1180 -2.7510 -1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4560 0.2040 -4.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2690 2.2340 -6.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1550 1.1940 -2.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3120 3.7330 -8.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1260 4.9200 -10.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5880 6.5980 -9.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1260 7.0950 -7.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6890 7.9130 -5.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 7.0900 -3.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9400 6.6470 -5.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9180 4.8520 -4.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9800 5.7580 -3.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4480 8.6800 -2.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9390 8.8980 -4.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4310 8.4200 -4.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5940 7.3540 -5.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1340 6.6820 -4.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9150 4.7360 -2.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3040 3.3860 -1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9250 4.0020 -1.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1350 5.1350 -2.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4850 6.4130 -1.6730 H 0 0 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 43 1 0 0 0 0 2 44 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 45 1 0 0 0 0 4 46 1 0 0 0 0 5 47 1 0 0 0 0 5 48 1 0 0 0 0 5 49 1 0 0 0 0 6 7 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 50 1 0 0 0 0 11 12 1 0 0 0 0 11 51 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 52 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 26 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 53 1 0 0 0 0 20 21 1 0 0 0 0 20 54 1 0 0 0 0 21 22 2 0 0 0 0 21 55 1 0 0 0 0 22 23 1 0 0 0 0 22 56 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 30 39 1 0 0 0 0 31 32 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 32 33 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 33 34 1 0 0 0 0 33 38 2 0 0 0 0 34 35 2 0 0 0 0 34 66 1 0 0 0 0 35 36 1 0 0 0 0 35 67 1 0 0 0 0 36 37 2 0 0 0 0 36 68 1 0 0 0 0 37 38 1 0 0 0 0 37 69 1 0 0 0 0 38 39 1 0 0 0 0 39 70 1 0 0 0 0 39 71 1 0 0 0 0 M END