PUBCHEM-ZINC04796592 MOE2007 3D CORINA 3.40 0006 02.08.2006 70 72 0 0 1 0 0 0 0 0999 V2000 1.4820 2.0120 0.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4450 0.4710 0.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5300 -0.1880 1.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1680 -0.5400 2.4950 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3050 -1.0060 3.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6080 -1.4360 1.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0530 -0.3940 0.5020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1850 0.0210 -0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5510 0.7370 1.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6870 0.6390 2.5970 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6230 1.4970 3.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 1.3260 4.6110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6240 2.6600 3.7120 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8420 3.0130 2.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9020 2.1780 4.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9910 3.2210 4.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6920 3.6100 3.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6920 4.5810 3.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0020 5.1710 4.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3120 4.7910 5.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3110 3.8210 5.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9740 3.7440 4.4490 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1150 5.0700 4.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7130 5.4610 3.1060 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 6.0060 5.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8130 7.4610 4.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1880 8.4080 5.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6050 9.8530 5.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 10.8080 6.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 -0.9160 -0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7070 0.0790 -0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4010 2.3420 1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4590 2.4890 -0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6460 2.4150 1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1070 -1.1200 1.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0900 0.4630 2.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -2.2460 1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4730 -1.8830 2.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 0.8060 -1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4590 -0.8460 -0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4890 1.7260 0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5810 0.5750 1.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3120 1.2960 3.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6530 1.8330 5.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4600 3.1640 2.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2280 4.8780 2.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7800 5.9260 4.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5550 5.2510 6.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7800 3.5400 6.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3910 3.4730 5.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 5.7190 6.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 5.8710 4.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4940 7.7500 3.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9060 7.5640 4.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 8.1190 6.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9050 8.3240 5.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2860 10.1410 4.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 9.9280 5.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3420 10.5870 7.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 10.8160 6.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0350 -1.2420 0.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 -0.1380 -1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8230 -1.7720 -0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 0.3970 0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7670 -1.0060 -0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7050 0.5420 -1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4590 12.1850 6.2780 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0800 12.8650 6.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4850 12.2570 6.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1550 12.4750 5.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 30 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 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 22 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 29 67 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 67 68 1 0 0 0 0 67 69 1 0 0 0 0 67 70 1 0 0 0 0 M CHG 1 67 1 M END