PUBCHEM-ZINC05494453 MOE2007 3D CORINA 3.40 0006 02.08.2006 69 70 0 0 0 0 0 0 0 0999 V2000 -6.1710 2.0060 6.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8380 0.5670 6.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2270 0.3750 4.9450 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8220 -0.8870 4.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6770 -1.5900 3.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3030 -2.8210 3.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0460 -3.3540 3.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1640 -2.6550 4.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5540 -1.4300 4.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5550 -0.7170 5.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9740 1.0770 5.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4560 2.1150 4.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 2.9890 5.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8070 5.1850 5.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8640 3.5500 3.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2810 -1.2070 6.8360 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8500 -2.4080 7.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6350 -2.4340 8.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2900 -3.6790 9.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2200 -4.6410 11.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8680 -3.8530 11.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2400 -0.4430 7.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8210 -0.2840 8.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2660 -1.1710 9.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1200 -2.2190 9.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5390 -2.3740 7.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1100 -1.4790 6.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5690 2.5090 5.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9190 2.0710 7.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2580 2.5180 6.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6450 -1.1650 3.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9860 -3.3500 2.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7490 -4.3000 2.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1710 -3.0560 4.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1460 0.4350 6.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3940 1.5830 6.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0830 1.5890 3.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2910 2.7430 4.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 3.4970 6.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5320 2.4120 5.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7230 4.7750 5.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 5.5940 5.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0330 5.9590 4.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2380 2.8610 2.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7580 3.0500 3.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 4.4000 2.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6150 -0.6900 7.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9240 -2.4600 7.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3780 -3.2870 6.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5590 -2.4240 9.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0560 -1.5290 9.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3460 -3.7200 9.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7980 -4.6010 9.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9250 -5.6460 11.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2210 -4.3930 11.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1910 -4.5440 12.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2320 -3.0290 11.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4840 -4.8150 11.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9430 -3.8370 12.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1630 0.5350 8.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9660 -1.0320 10.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4820 -2.9020 9.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2240 -3.1770 7.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4920 -1.5820 5.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 0.3010 5.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0670 4.0720 4.3110 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2090 4.4890 3.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2480 -3.6500 11.0320 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.5680 -2.7230 11.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 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 32 1 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 10 16 1 0 0 0 0 10 65 2 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 11 65 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 13 66 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 14 66 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 15 66 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 19 68 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 20 68 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 21 68 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 60 1 0 0 0 0 24 25 1 0 0 0 0 24 61 1 0 0 0 0 25 26 2 0 0 0 0 25 62 1 0 0 0 0 26 27 1 0 0 0 0 26 63 1 0 0 0 0 27 64 1 0 0 0 0 66 67 1 0 0 0 0 68 69 1 0 0 0 0 M CHG 1 66 1 M CHG 1 68 1 M END